# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T10:30:25+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (year = 1996 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
"1000022","5.38","0.001","5.44","0.001","7.639","0.001","90","","90","","90","","223.6","","","","","","","","","","","","from Benitoite Gem mine, San Benito Co., California,USA","3","P b n m","-P 2c 2ab","62","","Calcium titanate","Perovskite","- Ca O3 Ti -","- Ca O3 Ti -","- Ca4 O12 Ti4 -","4","0.5","","Beran, A; Libowitzky, E; Armbruster, T","A single-crystal infrared spectroscopic and X-ray diffraction study of untwinned San Benito perovskite containing O H groups","Canadian Mineralogist","1996","34","","803","809","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1000135","7.655","0.001","10.313","0.001","10.255","0.001","90","","90","","90","","809.6","","","","","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","Pentastrontium trizirconium fluoride","","- F22 Sr5 Zr3 -","- F22 Sr5 Zr3 -","- F44 Sr10 Zr6 -","2","0.5","","Le Bail, A","Structure of Sr5 Zr3 F22 determined from an inversion twinned crystal","European Journal of Solid State Inorganic Chemistry","1996","33","","1211","1222","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000421","4.1974","0.0006","14.546","0.003","5.8391","0.0008","90","","90","","90","","356.5","","","","295","","","","","","","","","3","C m c 21","C 2c -2","36","","Barium tetrafluorozincate","","- Ba F4 Zn -","- Ba F4 Zn -","- Ba4 F16 Zn4 -","4","0.5","","Lapasset, J; Bordallo, H N; Almairac, R; Nouet, J","Crystal structures of barium zincate fluoride, Ba Zn F4 at 295 and 113 K","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","934","935","","","","","","","0.0327","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1000422","4.1843","0.0012","14.496","0.004","5.8253","0.0015","90","","90","","90","","353.3","","","","113","","","","","","","","","3","C m c 21","C 2c -2","36","","Barium tetrafluorozincate","","- Ba F4 Zn -","- Ba F4 Zn -","- Ba4 F16 Zn4 -","4","0.5","","Lapasset, J; Bordallo, H N; Almairac, R; Nouet, J","Crystal structures of barium zincate fluoride, Ba Zn F4 at 295 and 113 K","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","934","935","","","","","","","0.0252","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1000423","26.60999","0.01","7.506","0.002","11.602","0.004","90","","107.43","0.02","90","","2210.9","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Dicaesium zirconium hexasilicate","","- Cs2 O15 Si6 Zr -","- Cs2 O15 Si6 Zr -","- Cs12 O90 Si36 Zr6 -","6","0.75","","Jolicart, G; Leblanc, M; Morel, B; Dehaudt, Ph; Dubois, S","Hydrothermal synthesis and structure determination of Cs2 Zr Si6 O15","European Journal of Solid State Inorganic Chemistry","1996","33","","647","657","","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000424","16.375","0.002","11.233","0.002","7.615","0.001","90","","102.67","0.01","90","","1366.6","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Lead iron iron(III) fluoride (7/1/6/34)","","- F34 Fe7 Pb7 -","- F34 Fe7 Pb7 -","- F68 Fe14 Pb14 -","2","0.25","","Pierrard, A; de Kozak, A; Gredin, P; Renaudin, J","The crystal structure of Pb7 Fe(II) Fe(III)6 F34: a new jarlite-type compound","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","1200","1204","10.1002/zaac.19966220716","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000428","9.888","0.0001","9.888","0.0001","3.217","0.0001","90","","90","","120","","272.4","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Barium calcium indium oxide (0.86/2/6/12)","","- Ba0.86 Ca2 In6 O12 -","- Ba0.86 Ca2 In6 O12 -","- Ba0.86 Ca2 In6 O12 -","1","0.0833333","","Baldinozzi, G; Goutenoire, F; Hervieu, M; Suard, E; Grebille, D","Incommensurate modulated disorder in Ba0.85 Ca2.15 In6 O12","Acta Crystallographica B (39,1983-)","1996","52","","780","789","","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000429","9.888","0.0001","9.888","0.0001","3.217","0.0001","90","","90","","120","","272.4","","","","","","","","","","","","","4","P 3","P 3","143","","Barium calcium indium oxide (0.83/2.10/6/12)","","- Ba0.83 Ca2.1 In6 O12 -","- Ba0.83 Ca2.1 In6 O12 -","- Ba0.83 Ca2.1 In6 O12 -","1","0.333333","","Baldinozzi, G; Goutenoire, F; Hervieu, M; Suard, E; Grebille, D","Incommensurate modulated disorder in Ba0.85 Ca2.15 In6 O12","Acta Crystallographica B (39,1983-)","1996","52","","780","789","","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000436","3.8714","0.0001","3.8714","0.0001","7.7789","0.0003","90","","90","","90","","116.6","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Lanthanum lithium titanium oxide (0.6/0.2/1/3)","","- La0.597 Li0.21 O3 Ti -","- La0.592 Li0.21 O3 Ti -","- La1.184 Li0.42 O6 Ti2 -","2","0.125","","Fourquet, J L; Duroy, H; Crosnier-Lopez, M P","Structural and microstructural studies of the series La2/3-x Li3x ( )1/3-2x Ti O3","Journal of Solid State Chemistry","1996","127","","283","294","10.1006/jssc.1996.0385","","","","","","0.113","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000437","3.8741","0.0001","3.8741","0.0001","7.7459","0.0005","90","","90","","90","","116.3","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Lanthanum lithium titanium oxide (0.6/0.3/1/3)","","- La0.557 Li0.33 O3 Ti -","- La0.552 Li0.33 O3 Ti -","- La1.104 Li0.66 O6 Ti2 -","2","0.125","","Fourquet, J L; Duroy, H; Crosnier-Lopez, M P","Structural and microstructural studies of the series La2/3-x Li3x ( )1/3-2x Ti O3","Journal of Solid State Chemistry","1996","127","","283","294","10.1006/jssc.1996.0385","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000438","3.87","","3.87","","7.78","","90","","90","","90","","116.5","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Lanthanum lithium titanium oxide (0.6/0.2/1/3)","","- La0.587 Li0.24 O3 Ti -","- La0.584 Li0.24 O3 Ti -","- La1.168 Li0.48 O6 Ti2 -","2","0.125","","Fourquet, J L; Duroy, H; Crosnier-Lopez, M P","Structural and microstructural studies of the series La2/3-x Li3x ( )1/3-2x Ti O3","Journal of Solid State Chemistry","1996","127","","283","294","10.1006/jssc.1996.0385","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000478","6.133","0.003","7.475","0.004","6.142","0.003","90","","97.17","0.02","90","","279.4","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dipotassium pentafluoroaluminate hydrate","","- Al F5 H2 K2 O -","- Al F5 H2 K2 O -","- Al2 F10 H4 K4 O2 -","2","0.5","","de Kozak, A; Gredin, P; Pierrard, A; Renaudin, J","The crystal structure of a new form of the dipotassium pentafluoroaluminate hydrate, K2 Al F5 . (H2 O), and of its dehydrate, K2 Al F5","Journal of Fluorine Chemistry","1996","77","","39","44","10.1016/0022-1139(95)03377-7","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000479","5.965","0.001","5.965","0.001","3.699","0.001","90","","90","","90","","131.6","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Dipotassium pentafluoroaluminate","","- Al F5 K2 -","- Al F5 K2 -","- Al F5 K2 -","1","0.0625","","de Kozak, A; Gredin, P; Pierrard, A; Renaudin, J","The crystal structure of a new form of the dipotassium pentafluoroaluminate hydrate, K2 Al F5 . (H2 O), and of its dehydrate, K2 Al F5","Journal of Fluorine Chemistry","1996","77","","39","44","10.1016/0022-1139(95)03377-7","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000480","8.629","0.002","8.629","0.002","5.648","0.004","90","","90","","90","","420.5","","","","","","","","","","","","","5","P 4","P 4","75","","Ammonium vanadium(IV) vanadium phosphorus(V) oxide (2/1/1.04/0.96/8)","","- H8 N2 O8 P0.96 V2.04 -","- H16 N2 O8 P0.96 V2.04 -","- H32 N4 O16 P1.92 V4.08 -","2","0.5","","Ninclaus, C; Retoux, R; Riou, D; Ferey, G","Synthesis and structure determination of the disordered V(V)-P compound (N H4)2 V(IV) O (V(V)2-x Px O7)","Journal of Solid State Chemistry","1996","122","","139","142","10.1006/jssc.1996.0093","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001719","4.95","","25.18999","","11.66","","90","","97.76","","90","","1440.6","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Thallium strontium cobalt oxide (0.41/1/1/3.11)","","- Co O3.111 Sr0.9999 Tl0.41 -","- Co O3.11111 Sr Tl0.41 -","- Co18 O56 Sr18 Tl7.38 -","18","4.5","","Boullay, P; Domenges, B; Hervieu, M; Groult, D; Raveau, B","Evidence for the first misfit layer oxide Tl0.41 (Sr0.9 O)1.12 Co O2","Chemistry of Materials (1,1989-","1996","8","","1482","1489","10.1021/cm9601446","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001725","3.778","0.001","15.244","0.001","17.67699","0.001","90","","90","","90","","1018.1","","","","","","","","","","","","","5","A m m 2","A 2 -2","38","","Thallium chromate strontium coppper oxide (3/1/8/4/16)","","- Cr Cu4 O20 Sr8 Tl3 -","- Cr Cu4 O20 Sr8 Tl3 -","- Cr2 Cu8 O40 Sr16 Tl6 -","2","0.25","","Martin, C; Letouze, F; Maignan, A; Seshadri, R; Michel, C; Hervieu, M; Raveau, B","The superconducting copper oxychromate Tl3 (Cr O4) Sr8 Cu4 O16 : long- range ordering between thallium and chromium","Chemistry of Materials (1,1989-","1996","8","","865","873","10.1021/cm950473i","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001726","10.159","0.005","10.103","0.003","10.003","0.002","90","","99.48","0.03","90","","1012.7","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium caesium molybdenum oxide phosphate (0.4/1.5/2/3/2)","","- Cs1.5 K0.425 Mo2 O11 P2 -","- Cs1.5 K0.425 Mo2 O11 P2 -","- Cs6 K1.7 Mo8 O44 P8 -","4","1","","Guesdon, A.; Leclaire, A.; Borel, M. M.; Raveau, B.","Highly ordered distribution of the interpolated univalent cations in monophosphates with the α-K~2~Mo~2~O~3~(PO~4~)~2~ structure","European Journal of Solid State and Inorganic Chemistry","1996","33","","385","396","","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","200144","2020-10-21","18:00:00",""
"1001727","10.121","0.001","10.154","0.002","9.82","0.001","90","","100.59","0.01","90","","992","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium caesium dimolybdenum trioxide bis(phosphate(V))","","- Cs K Mo2 O11 P2 -","- Cs K Mo2 O11 P2 -","- Cs4 K4 Mo8 O44 P8 -","4","1","","Guesdon, A.; Leclaire, A.; Borel, M. M.; Raveau, B.","Highly ordered distribution of the interpolated univalent cations in monophosphates with the α-K~2~Mo~2~O~3~(PO~4~)~2~ structure","European Journal of Solid State and Inorganic Chemistry","1996","33","","385","396","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","200144","2020-10-21","18:00:00",""
"1001728","10.08","0.001","10.146","0.001","9.83","0.001","90","","100.25","0.01","90","","989.3","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium caesium molybdenum oxide phosphate (1.3/0.7/2/3/2)","","- Cs0.74 K1.26 Mo2 O11 P2 -","- Cs0.74 K1.26 Mo2 O11 P2 -","- Cs2.96 K5.04 Mo8 O44 P8 -","4","1","","Guesdon, A.; Leclaire, A.; Borel, M. M.; Raveau, B.","Highly ordered distribution of the interpolated univalent cations in monophosphates with the α-K~2~Mo~2~O~3~(PO~4~)~2~ structure","European Journal of Solid State and Inorganic Chemistry","1996","33","","385","396","","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","200144","2020-10-21","18:00:00",""
"1001729","9.961","0.001","10.134","0.001","9.884","0.001","90","","99.16","0.01","90","","985","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium rubidium molybdenum oxide phosphate (0.9/1.1/2/3/2)","","- K0.88 Mo2 O11 P2 Rb1.12 -","- K0.88 Mo2 O11 P2 Rb1.12 -","- K3.52 Mo8 O44 P8 Rb4.48 -","4","1","","Guesdon, A.; Leclaire, A.; Borel, M. M.; Raveau, B.","Highly ordered distribution of the interpolated univalent cations in monophosphates with the α-K~2~Mo~2~O~3~(PO~4~)~2~ structure","European Journal of Solid State and Inorganic Chemistry","1996","33","","385","396","","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","200144","2020-10-21","18:00:00",""
"1001731","8.6233","0.0006","8.6233","0.0006","5.6384","0.0007","90","","90","","90","","419.3","","","","","","","","","","","","","5","P 4 b m","P 4 -2ab","100","","Diammonium oxovanadium(IV) vanadophosphate(V)","","- H8 N2 O8 P V2 -","- H10 N2 O8 P1.02 V1.98 -","- H20 N4 O16 P2.04 V3.96 -","2","0.25","","Boudin, S; Grandin, A; Labbe, P; Raveau, B","(N H4)2 (V O) (V P) O7, a layered structure comprising tetrahedral VP O7 groups","Acta Crystallographica C (39,1983-)","1996","52","","2668","2670","","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001732","10.6265","0.0008","10.6265","0.0008","6.4092","0.0009","90","","90","","90","","723.7","","","","","","","","","","","","","5","P -4 m 2","P -4 -2","115","","Potassium niobium tungsten phosphorus phosphate(V) oxide (3.73/8.41/0.12/0.47/4/18)","","- K3.73 Nb8.41 O34 P4.47 W0.12 -","- K3.73 Nb8.406 O34 P4.47 W0.124 -","- K3.73 Nb8.406 O34 P4.47 W0.124 -","1","0.125","","Leclaire, A; Borel, M-M; Mezaoui, D; Rebbah, H; Raveau, B","Introduction of tungsten in the niobium phosphate bronzes: the monophosphate K3.75 Nb8-x Wx O14 (P O4)4 (P0.5 Nb0.5 O4)","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-)","1996","323","","679","685","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001733","17.545","0.002","17.545","0.002","15.714","0.002","90","","90","","120","","4189.1","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Potassium molybdenum tungsten oxide phosphate(V) (6.6/2.3/3.7/15/4)","","- K6.595 Mo2.34 O31 P4 W3.66 -","- K6.595 Mo2.34 O31 P4 W3.66 -","- K39.57 Mo14.04 O186 P24 W21.96 -","6","0.333333","","Leclaire, A; Borel, M M; Chardon, J; Raveau, B","A molybdenotungsten monophosphate with an opened structure K6.6 Mo2.36 W3.64 O15 (P O4)4","Journal of Solid State Chemistry","1996","127","","1","8","10.1006/jssc.1996.0349","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001734","5.4599","0.0001","7.711","0.0001","5.466","0.0001","90","","90","","90","","230.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Neodymium strontium manganese oxide (0.7/0.3/1/3)","","- Mn Nd0.7 O3 Sr0.3 -","- Mn Nd0.7 O3 Sr0.3 -","- Mn4 Nd2.8 O12 Sr1.2 -","4","0.5","","Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B","Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering","Journal of Solid State Chemistry","1996","127","","131","135","10.1006/jssc.1996.0368","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001735","5.4708","0.0001","7.6708","0.0001","5.4254","0.0001","90","","90","","90","","227.7","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Neodymium strontium calcium manganese oxide (0.7/0.1/0.2/1/3)","","- Ca0.22 Mn Nd0.7 O3 Sr0.08 -","- Ca0.22 Mn Nd0.7 O3 Sr0.08 -","- Ca0.88 Mn4 Nd2.8 O12 Sr0.32 -","4","0.5","","Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B","Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering","Journal of Solid State Chemistry","1996","127","","131","135","10.1006/jssc.1996.0368","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001736","5.482","0.0001","7.6475","0.0001","5.4096","0.0001","90","","90","","90","","226.8","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Neodymium calcium manganese oxide (0.7/0.3/1/3)","","- Ca0.3 Mn Nd0.7 O3 -","- Ca0.3 Mn Nd0.7 O3 -","- Ca1.2 Mn4 Nd2.8 O12 -","4","0.5","","Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B","Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering","Journal of Solid State Chemistry","1996","127","","131","135","10.1006/jssc.1996.0368","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001737","5.4494","0.0001","7.6964","0.0001","5.4547","0.0001","90","","90","","90","","228.8","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Neodymium strontium manganese oxide (0.7/0.3/1/3)","","- Mn Nd0.7 O3 Sr0.3 -","- Mn Nd0.7 O3 Sr0.3 -","- Mn4 Nd2.8 O12 Sr1.2 -","4","0.5","","Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B","Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering","Journal of Solid State Chemistry","1996","127","","131","135","10.1006/jssc.1996.0368","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001738","5.4734","0.0001","7.6583","0.0001","5.4139","0.0001","90","","90","","90","","226.9","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Neodymium strontium calcium manganese oxide (0.7/0.1/0.2/1/3)","","- Ca0.22 Mn Nd0.7 O3 Sr0.08 -","- Ca0.22 Mn Nd0.7 O3 Sr0.08 -","- Ca0.88 Mn4 Nd2.8 O12 Sr0.32 -","4","0.5","","Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B","Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering","Journal of Solid State Chemistry","1996","127","","131","135","10.1006/jssc.1996.0368","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001739","5.4881","0.0001","7.6337","0.0001","5.3968","0.0001","90","","90.2","","90","","226.1","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Neodymium calcium manganese oxide (0.7/0.3/1/3)","","- Ca0.3 Mn Nd0.7 O3 -","- Ca0.3 Mn Nd0.7 O3 -","- Ca1.2 Mn4 Nd2.8 O12 -","4","1","","Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B","Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering","Journal of Solid State Chemistry","1996","127","","131","135","10.1006/jssc.1996.0368","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001740","3.8174","0.0002","3.8138","0.0002","30.33899","0.001","90","","90","","90","","441.7","","","","","","","","","","","","","5","I m m m","-I 2 2","71","","Mercury praseodymium strontium iron oxide (0.3/0.57/4/2/9)","","- Fe2 Hg0.3 O9 Pr0.57 Sr4 -","- Fe2 Hg0.3 O9 Pr0.57 Sr4 -","- Fe4 Hg0.6 O18 Pr1.14 Sr8 -","2","0.125","","Boullay, Ph; Domenges, B; Groult, D; Raveau, B","A mercury-based ferrite with a 0201-1201 structure: (Hg, Pr) Sr4 Fe2 O9","Journal of Solid State Chemistry","1996","124","","1","7","10.1006/jssc.1996.0199","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001747","3.8865","0.0001","3.8865","0.0001","41.827","0.002","90","","90","","90","","631.8","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Calcium gadolinium copper oxide chloride (3.8/2.2/3/8.16/3.84)","","- Ca3.8 Cl3.84 Cu3 Gd2.2 O8.16 -","- Ca3.8 Cl3.84 Cu3 Gd2.2 O8.16 -","- Ca7.6 Cl7.68 Cu6 Gd4.4 O16.32 -","2","0.0625","","Pelloquin, D; Sundaresan, A; Hervieu, M; Michel, C; Raveau, B","New copper oxychlorides Ca4 Ln2 Cu3 O8 Cl4, first members of the intergrowth series (Ca2 Cu O2 Cl2)m (Ln2 Ca2 Cu2 O6 Cl2)n (Ln = Gd,Sm)","Journal of Solid State Chemistry","1996","127","","315","324","10.1006/jssc.1996.0389","","","","","","0.089","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001748","14.22","0.001","6.5138","0.0006","7.5166","0.0008","90","","90","","90","","696.2","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Strontium divanadium(III) oxide bis(phosphate(V))","","- O9 P2 Sr V2 -","- O9 P2 Sr V2 -","- O36 P8 Sr4 V8 -","4","0.5","","Boudin, S; Grandin, A; Labbe, Ph; Provost, J; Raveau, B","The V(III) monophosphate series A V2 O (P O4)2 with A = Cd, Ca, Sr: structure and magnetism","Journal of Solid State Chemistry","1996","127","","325","330","10.1006/jssc.1996.0390","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001749","5.386","0.0007","5.4195","0.0007","15.72","0.002","90","","90","","90","","458.9","","","","","","","","","","","","","7","C m m m","-C 2 2","65","","Lead calcium strontium yttrium copper chromium oxide (1.75/0.2/2/1/2.85/0.15/8)","","- Ca0.2 Cr0.15 Cu2.85 O8 Pb1.75 Sr2 Y -","- Ca0.2 Cr0.15 Cu2.85 O8 Pb1.75 Sr2 Y -","- Ca0.4 Cr0.3 Cu5.7 O16 Pb3.5 Sr4 Y2 -","2","0.125","","Seshadri, R; Maignan, A; Hervieu, M; Martin, C; Raveau, B; Rao, C N R","Substitution of chromium for univalent copper in superconducting Pb2 Sr2 (Ca, Y) Cu3 O8+d","Journal of Solid State Chemistry","1996","127","","64","71","10.1006/jssc.1996.0357","","","","","","0.088","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001750","5.1625","0.0004","5.1625","0.0004","11.1616","0.0009","90","","90","","90","","297.5","","","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","Cadmium molybdenum tungsten oxide (1/0.5/0.5/4)","","- Cd Mo0.5 O4 W0.5 -","- Cd Mo0.5 O4 W0.5 -","- Cd4 Mo2 O16 W2 -","4","0.25","","Daturi, M; Borel, M M; Leclaire, A; Savary, L; Costentin, G; Lavalley, J C; Raveau, B","Crystallographic and catalytic studies of a new solid solution Cd Mox W1-x O4","Journal de Chimie Physique et de Physico-Chimie Biologique","1996","93","","2043","2053","","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001751","5.0289","0.0004","5.8596","0.0005","5.0715","0.0006","90","","91.519","0.008","90","","149.4","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","Cadmium tungstate","","- Cd O4 W -","- Cd O4 W -","- Cd2 O8 W2 -","2","0.5","","Daturi, M; Borel, M M; Leclaire, A; Savary, L; Costentin, G; Lavalley, J C; Raveau, B","Crystallographic and catalytic studies of a new solid solution Cd Mox W1-x O4","Journal de Chimie Physique et de Physico-Chimie Biologique","1996","93","","2043","2053","","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001752","3.8056","0.0001","3.8056","0.0001","30.48199","0.001","90","","90","","90","","441.5","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Lead mercury strontium iron oxide (0.43/0.43/4/2/9)","","- Fe2 Hg0.4325 O9 Pb0.4325 Sr4 -","- Fe2 Hg0.4325 O9 Pb0.4325 Sr4 -","- Fe4 Hg0.865 O18 Pb0.865 Sr8 -","2","0.0625","","Nguyen, N; Daniel, P; Groult, D; Raveau, B; Greneche, J M","New mixed valence iron oxides (Pb, A) Sr4 Fe2 O9-d (A = Cd, Hg) with the 0201 - 1201 intergrowth type structure","Materials Chemistry and Physics","1996","45","","33","38","10.1016/0254-0584(96)80044-7","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001753","3.8084","0.0002","3.8084","0.0002","30.45299","0.001","90","","90","","90","","441.7","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Lead cadmium strontium iron oxide (0.4/0.4/4/2/9)","","- Cd0.395 Fe2 O9 Pb0.395 Sr4 -","- Cd0.395 Fe2 O9 Pb0.395 Sr4 -","- Cd0.79 Fe4 O18 Pb0.79 Sr8 -","2","0.0625","","Nguyen, N; Daniel, P; Groult, D; Raveau, B; Greneche, J M","New mixed valence iron oxides (Pb, A) Sr4 Fe2 O9-d (A = Cd, Hg) with the 0201 - 1201 intergrowth type structure","Materials Chemistry and Physics","1996","45","","33","38","10.1016/0254-0584(96)80044-7","","","","","","0.085","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001754","7.735","0.001","12.655","0.001","8.324","0.001","90","","105.97","0.01","90","","783.4","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Lithium molybdenum tungsten oxide phosphate (0.5/1/1/3/2)","","- Li0.5 Mo O11 P2 W -","- Li0.5 Mo0.9995 O11 P2 W1.0005 -","- Li2 Mo3.998 O44 P8 W4.002 -","4","1","","Leclaire, A; Borel, M M; Chardon, J; Raveau, B","Nonstoichiometry in the Li Mo2 (P O4)3 structure: the molybdenotungsten monophosphate Li0.5 Mo W O3 (P O4)2","Materials Research Bulletin","1996","31","10","1257","1262","10.1016/0025-5408(96)00116-X","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001755","3.8801","0.0002","3.8801","0.0002","9.495","0.001","90","","90","","90","","142.9","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Mercury cerium barium copper oxide (0.85/0.15/2/1/4.15)","","- Ba2 Ce0.15 Cu Hg0.85 O4.15 -","- Ba2 Ce0.15 Cu Hg0.85 O4.15 -","- Ba2 Ce0.15 Cu Hg0.85 O4.15 -","1","0.0625","","Letouze, F; Huve, M; Martin, C; Maignan, A; Michel, C; Hervieu, M; Raveau, B","Introduction of lanthanide on the mercury site of the Hg Ba2 Cu O4 superconductor","Materials Research Bulletin","1996","31","6","657","663","10.1016/0025-5408(96)00049-9","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001756","4.3499","0.0002","4.3499","0.0002","25.36699","0.001","90","","90","","90","","480","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Dithallium tribarium dichloride pentaoxide","","- Ba3 Cl2 O5 Tl2 -","- Ba3 Cl2 O5 Tl2 -","- Ba6 Cl4 O10 Tl4 -","2","0.0625","","Letouze, F; Martin, C; Pelloquin, D; Michel, C; Hervieu, M; Raveau, B","A thallium oxychloride closely related to the Sr3 Ti2 O7 and Y Ba Fe Cu O5 structures: Ba3 Tl2 O5 Cl2","Materials Research Bulletin","1996","31","7","773","780","10.1016/0025-5408(96)00065-7","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001757","3.81474","0.00006","3.81474","0.00006","12.8293","0.0003","90","","90","","90","","186.7","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Thallium lead strontium iron oxide (0.5/0.5/3/2/8)","","- Fe2 O8 Pb0.5 Sr3 Tl0.5 -","- Fe2 O8 Pb0.5 Sr3 Tl0.5 -","- Fe2 O8 Pb0.5 Sr3 Tl0.5 -","1","0.0625","","Nguyen, N.; Groult, D.; Caignaert, V.; Ducouret, A.; Raveau, B.","Neutron diffraction and Moessbauer spectroscopy studies of the mixed valent Tl-1212 ferrite (Tl~0.5~Pb~0.5~)Sr~3~Fe~2~O~8~","Physica B: Condensed Matter","1996","228","3-4","251","260","10.1016/S0921-4526(96)00488-7","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1001758","3.81002","0.00005","3.81002","0.00005","12.7964","0.0002","90","","90","","90","","185.8","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Thallium lead strontium iron oxide (0.5/0.5/3/2/8)","","- Fe2 O8 Pb0.5 Sr3 Tl0.5 -","- Fe2 O8 Pb0.5 Sr3 Tl0.5 -","- Fe2 O8 Pb0.5 Sr3 Tl0.5 -","1","0.0625","","Nguyen, N.; Groult, D.; Caignaert, V.; Ducouret, A.; Raveau, B.","Neutron diffraction and Moessbauer spectroscopy studies of the mixed valent Tl-1212 ferrite (Tl~0.5~Pb~0.5~)Sr~3~Fe~2~O~8~","Physica B: Condensed Matter","1996","228","3-4","251","260","10.1016/S0921-4526(96)00488-7","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1001759","3.7652","0.0001","3.7652","0.0001","8.9428","0.0003","90","","90","","90","","126.8","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Mercury bismuth strontium copper oxide (0.5/0.5/2/1/4.92)","","- Bi0.5 Cu Hg0.5 O4.92 Sr2 -","- Bi0.5 Cu Hg0.5 O4.92 Sr2 -","- Bi0.5 Cu Hg0.5 O4.92 Sr2 -","1","0.0625","","Pelloquin, D; Michel, C; Hervieu, M; Studer, F; Raveau, B","On the crystal structure of the ""1201"" superconductors Hg0.5 Bi0.5 Sr2- x Lax Cu O5-d","Physica C (Amsterdam) (152,1988-)","1996","257","","195","209","10.1016/0921-4534(95)00722-9","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001760","3.7769","0.0001","3.7769","0.0001","8.8252","0.0003","90","","90","","90","","125.9","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Mercury bismuth strontium lanthanum copper oxide (0.5/0.5/1.5/0.5/1/5)","","- Bi0.5 Cu Hg0.5 La0.5 O5 Sr1.5 -","- Bi0.5 Cu Hg0.5 La0.5 O5 Sr1.5 -","- Bi0.5 Cu Hg0.5 La0.5 O5 Sr1.5 -","1","0.0625","","Pelloquin, D; Michel, C; Hervieu, M; Studer, F; Raveau, B","On the crystal structure of the ""1201"" superconductors Hg0.5 Bi0.5 Sr2- x Lax Cu O5-d","Physica C (Amsterdam) (152,1988-)","1996","257","","195","209","10.1016/0921-4534(95)00722-9","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001761","3.7803","0.0001","15.2573","0.0002","17.67369","0.0003","90","","90","","90","","1019.4","","","","","","","","","","","","","5","A 2 m m","A -2 2","35","","Thallium strontium copper chromate oxide (3/8/4/1/15.9)","","- Cr Cu4 O19.9 Sr8 Tl3 -","- Cr Cu4 O19.9 Sr8 Tl3 -","- Cr2 Cu8 O39.8 Sr16 Tl6 -","2","0.25","","Michel, C; Letouze, F; Martin, C; Hervieu, M; Raveau, B","Neutron diffraction structure determination of the superconducting copper oxychromate Tl3 (Cr O4) Sr8 Cu4 O16","Physica C (Amsterdam) (152,1988-)","1996","262","","159","167","10.1016/0921-4534(96)00239-0","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001762","3.88","0.0004","3.88","0.0004","9.492","0.002","90","","90","","90","","142.9","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Mercury bismuth barium copper oxide (0.8/0.2/2/1/4.28)","","- Ba2 Bi0.22 Cu Hg0.78 O4.28 -","- Ba2 Bi0.22 Cu Hg0.78 O4.28 -","- Ba2 Bi0.22 Cu Hg0.78 O4.28 -","1","0.0625","","Pelloquin, D; Maignan, A; Guesdon, A; Hardy, V; Raveau, B","Single crystal study of the ""1201"" superconductor Hg0.8 Bi0.2 Ba2 Cu O4+d","Physica C (Amsterdam) (152,1988-)","1996","265","","5","12","10.1016/0921-4534(96)00296-1","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001763","3.7619","0.0001","3.7619","0.0001","8.9984","0.0004","90","","90","","90","","127.3","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Thallium bismuth strontium copper oxide (0.65/0.46/1.86/1/4.99)","","- Bi0.4601 Cu O4.99 Sr1.86 Tl0.6499 -","- Bi0.46 Cu O4.99 Sr1.86 Tl0.65 -","- Bi0.46 Cu O4.99 Sr1.86 Tl0.65 -","1","0.0625","","Michel, C; Hervieu, M; Martin, C; Maignan, A; Huve, M; Raveau, B","Modulated ordering of bismuth and strontium in the ""1201"" cuprate (Tl2/3 Bi1/3)0.97 Sr1.86 Bi0.14 Cu O5-d","Physica C (Amsterdam) (152,1988-)","1996","271","","111","121","10.1016/S0921-4534(96)00527-8","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001765","5.431","0.002","7.625","0.002","5.477","0.002","90","","90","","90","","226.8","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Neodymium strontium manganese oxide (0.5/0.5/1/3)","","- Mn Nd0.5 O3 Sr0.5 -","- Mn Nd0.5 O3 Sr0.5 -","- Mn4 Nd2 O12 Sr2 -","4","0.25","","Caignaert, V; Millange, F; Hervieu, M; Suard, E; Raveau, B","The manganite Nd0.5 Sr0.5 Mn O3: a rare distortion of the perovskite","Solid State Communications","1996","99","3","173","177","10.1016/0038-1098(96)00189-5","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001767","4.8984","0.0004","8.3919","0.0008","7.034","0.001","90","","109.33","0.01","90","","272.8","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Lithium molybdenum(III) diphosphate","","- Li Mo O7 P2 -","- Li Mo O7 P2 -","- Li2 Mo2 O14 P4 -","2","1","","Ledain, S; Leclaire, A; Borel, M M; Raveau, B","Li Mo P2 O7","Acta Crystallographica C (39,1983-)","1996","52","","1593","1594","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004115","5.754","0.001","5.754","0.001","13.267","0.003","90","","90","","120","","380.4","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Lead vanadium oxide (1/6/11)","","- O11 Pb V6 -","- O11 Pb V6 -","- O22 Pb2 V12 -","2","0.166667","","Mentre, O; Abraham, F","New mixed valence compounds in the Pb - V - O system synthesis and crystal structure of hollandite-related Pb1.32 V8.35 O16.7 and R-type hexagonal ferrite Pb V6 O11","Journal of Solid State Chemistry","1996","125","","91","101","10.1006/jssc.1996.0269","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004116","9.302","0.001","5.969","0.001","8.118","0.001","90","","113.96","0.01","90","","411.9","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Dibarium oxovanadium(IV) bis(vanadate(V))","","- Ba2 O9 V3 -","- Ba2 O9 V3 -","- Ba4 O18 V6 -","2","0.5","","Dhaussy, A-C; Abraham, F; Mentre, O; Steinfink, H","Crystal structure and characterization of Ba2 V3 O9: a vanadyl(IV) vanadate containing rutile-like chains of V O6 octahedra","Journal of Solid State Chemistry","1996","126","","328","335","10.1006/jssc.1996.0345","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004117","7.28296","0.00009","7.28296","0.00009","6.43407","0.0001","90","","90","","90","","341.3","","","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","Europium bismuth vanadate (0.28/0.72/1)","","- Bi0.72 Eu0.28 O4 V -","- Bi0.72 Eu0.28 O4 V -","- Bi2.88 Eu1.12 O16 V4 -","4","0.25","","Blin, J L; Lorriaux-Rubbens, A; Wallart, F; Wignacourt, J P","Synthesis and structural investigation of the Eu1-x Bix V O4 scheelite phase: X-ray diffraction, Raman scattering and Eu(3+) luminescence","Journal of Materials Chemistry","1996","6","3","385","389","10.1039/jm9960600385","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004118","11.633","0.007","5.795","0.003","24.39","0.02","90","","101.35","0.05","90","","1612.1","","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Bismuth molybdenum vanadium oxide (26/6.14/3.86/68)","","- Bi26 Mo6.14 O68 V3.86 -","- Bi26 Mo6.14 O68 V3.86 -","- Bi26 Mo6.14 O68 V3.86 -","1","0.25","","Vannier, R N; Mairesse, G; Abraham, F; Nowogorocki, G","Bi26 Mo10 Od solid solution type in the Bi2 O3 - Mo O3 - V2 O5 ternary diagram","Journal of Solid State Chemistry","1996","122","","394","406","10.1006/jssc.1996.0133","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004119","10.108","0.003","9.887","0.003","2.903","0.001","90","","90","","90.84","","290.1","","","","","","","","","","","","","3","I 1 1 2/m","-I 2","12","","Lead vanadium oxide (1.32/8.35/16)","","- O16 Pb1.32 V8.35 -","- O16 Pb1.32 V8.348 -","- O16 Pb1.32 V8.348 -","1","0.125","","Mentre, O; Abraham, F","New mixed valence compounds in the Pb - V - O system: synthesis and crystal structure of hollandite-related Pb1.32 V8.35 O16.7 and R-type hexagonal ferrite Pb V6 O11","Journal of Solid State Chemistry","1996","125","","91","101","10.1006/jssc.1996.0269","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004120","3.9214","0.0001","3.9214","0.0001","15.5709","0.0003","90","","90","","90","","239.4","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Bismuth vanadium iron oxide (4/1.5/0.5/10.5)","","- Bi4 Fe0.5 O10.5 V1.5 -","- Bi4 Fe0.5 O10.5008 V1.5 -","- Bi4 Fe0.5 O10.5008 V1.5 -","1","0.03125","","Joubert, O; Ganne, M; Vannier, R N; Mairesse, G","Solid phase synthesis and characterization of new BIMEVOX series: Bi4 V2-x Mx O11-x (M = Cr(III), Fe(III))","Solid State Ionics","1996","83","","199","207","10.1016/0167-2738(96)00009-4","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004130","7.28296","0.00009","7.28296","0.00009","6.43407","0.0001","90","","90","","90","","341.3","","","","","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","Europium bismuth vanadate (0.28/0.72/1)","","- Bi0.72 Eu0.28 O4 V -","- Bi0.72 Eu0.28 O4 V -","- Bi2.88 Eu1.12 O16 V4 -","4","0.125","","Blin, J L; Lorriaux-Rubbens, A; Wallart, F; Wignacourt, J P","Synthesis and structural investigation of the Eu1-x Bix V O4 scheelite phase: X-ray diffraction, Raman scattering and Eu(3+) luminescence","Journal of Materials Chemistry","1996","6","3","385","389","10.1039/jm9960600385","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004131","11.742","0.008","5.8","0.007","24.76999","0.05","90","","102.94","0.06","90","","1644.1","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","Bismuth molybdenum oxide (26/10/69)","","- Bi26 Mo10 O69 -","- Bi26 Mo10 O68.5 -","- Bi26 Mo10 O68.5 -","1","0.25","","Vannier, R N; Mairesse, G; Abraham, F; Nowogorocki, G","Bi26 Mo10 Od solid solution type in the Bi2 O3 - Mo O3 - V2 O5 ternary diagram","Journal of Solid State Chemistry","1996","122","","394","406","10.1006/jssc.1996.0133","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004132","6.1161","0.0002","6.6504","0.0002","5.5502","0.0002","97.178","0.002","108.803","0.002","115.241","0.002","184","","","","","","","","","","","","","3","P -1","-P 1","2","","Lead diplatinum tetraoxide","","- O4 Pb Pt2 -","- O4 Pb Pt2 -","- O8 Pb2 Pt4 -","2","1","","Tancret, N; Obbade, S; Bettahar, N; Abraham, F","Synthesis and ab initio structure determination from powder X-ray diffraction data of a new metallic mixed-valence platinum-lead oxide Pb Pt2 O4","Journal of Solid State Chemistry","1996","124","","309","318","10.1006/jssc.1996.0242","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005021","6.159","0.001","10.305","0.002","15.292","0.003","90","","90","","90","","970.6","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Pentabarium disilicon nitride","","- Ba5 N6 Si2 -","- Ba5 N6 Si2 -","- Ba20 N24 Si8 -","4","1","","Yamane, H; DiSalvo, F J","Preparation and crystal structure of a new barium silicon nitride, Ba5 Si2 N6","Journal of Alloys Compd.","1996","240","","33","36","10.1016/0925-8388(96)02242-6","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005022","10.708","0.002","11.233","0.002","16.52699","0.003","90","","90","","90","","1987.9","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Tricerium hexachloride nitride","","- Ce3 Cl6 N -","- Ce3 Cl6 N -","- Ce24 Cl48 N8 -","8","1","","Ehrlich, G M; Badding, M E; Brese, N E; Trail, S S; DiSalvo, F J","Corrigendum to ""New cerium nitride chlorides: Ce6 Cl12 N2 and Ce N Cl""","Journal of Alloys Compd.","1996","235","","133","134","10.1016/0925-8388(95)02134-5","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005023","5.723","0.002","10.04","0.003","26.05899","0.007","90","","90","","90","","1497.3","","","","","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","Dipotassium phyllo-tetrathiotriniccolate","","- K2 Ni3 S4 -","- K2 Ni3 S4 -","- K16 Ni24 S32 -","8","0.25","","Elder, S H; Jobic, S; Brec, R; Gelabert, M; DiSalvo, F J","Structural and electronic properties of K2 Ni3 S4, a pseudo-two dimensional compound with a honeycomb-like arrangement","Journal of Alloys Compd.","1996","235","","135","142","10.1016/0925-8388(95)02064-0","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1005024","16.67299","0.002","4.1205","0.0004","9.998","0.001","90","","108.045","0.004","90","","653.1","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Cerium palladium arsenide (1/3/2)","","- As2 Ce Pd3 -","- As2 Ce Pd3 -","- As12 Ce6 Pd18 -","6","0.75","","Gordon, R A; DiSalvo, F J; Poettgen, R","Physical properties of Ce Pd3 As2","Journal of Alloys Compd.","1996","236","","86","91","10.1016/0925-8388(95)02171-X","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005026","9.7311","0.0014","9.7311","0.0014","6.3366","0.0013","90","","90","","120","","519.6","","","","","","","","","","","","","5","P 63 m c","P 6c -2c","186","","Lanthanum dicalcium germanium tetrasulfide trichloride","","- Ca2 Cl3 Ge La S4 -","- Ca2.001 Cl3 Ge La0.999 S4 -","- Ca4.002 Cl6 Ge2 La1.998 S8 -","2","0.166667","","Gitzendanner, R L; DiSalvo, F J","Synthesis and structure of a new quinary sulfide halide: La Ca2 Ge S4 Cl3","Inorganic Chemistry","1996","35","","2623","2626","10.1021/ic951184z","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005027","9.032","0.002","3.883","0.001","9.648","0.002","90","","112.42","0.03","90","","312.8","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Tristrontium germanide dinitridogermanate","","- Ge2 N2 Sr3 -","- Ge2 N2 Sr3 -","- Ge4 N4 Sr6 -","2","0.5","","Clarke, S J; Kowach, G R; DiSalvo, F J","Synthesis and structure of two new strontium germanium nitrides: Sr3 Ge2 N2 and Sr2 Ge N2","Inorganic Chemistry","1996","35","","7009","7012","10.1021/ic960518x","","","","","","0.106","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005028","11.773","0.002","11.773","0.002","5.409","0.001","90","","90","","90","","749.7","","","","","","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","Distrontium dinitridogermanate(II)","","- Ge N2 Sr2 -","- Ge N2 Sr2 -","- Ge8 N16 Sr16 -","8","0.5","","Clarke, S J; Kowach, G R; DiSalvo, F J","Synthesis and structure of two new strontium germanium nitrides: Sr3 Ge2 N2 and Sr2 Ge N2","Inorganic Chemistry","1996","35","","7009","7012","10.1021/ic960518x","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005029","4.568","0.001","4.568","0.001","8.942","0.002","90","","90","","90","","186.6","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Barium cobalt sulfide","","- Ba Co S2 -","- Ba Co S2 -","- Ba2 Co2 S4 -","2","0.125","","Gelabert, M C; Brese, N E; DiSalvo, F J; Jobic, S; Deniard, P; Brec, R","Polymorphism and superstructure in Ba Co S2-d","Journal of Solid State Chemistry","1996","127","","211","221","10.1006/jssc.1996.0377","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1005030","6.439","0.0003","6.4909","0.0003","8.9379","0.0004","90","","90","","90","","373.6","","","","","","","","","","","","","3","C m m a","-C 2a 2","67","","Barium cobalt sulfide (1/1/1.84)","","- Ba Co S1.84 -","- Ba Co S1.84 -","- Ba4 Co4 S7.36 -","4","0.25","","Gelabert, M C; Brese, N E; DiSalvo, F J; Jobic, S; Deniard, P; Brec, R","Polymorphism and superstructure in Ba Co S2-d","Journal of Solid State Chemistry","1996","127","","211","221","10.1006/jssc.1996.0377","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005031","9.6196","0.0006","4.0466","0.0002","10.1337","0.0005","90","","113.553","0.004","90","","361.6","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Tribarium digermanium dinitride","","- Ba3 Ge2 N2 -","- Ba3 Ge2 N2 -","- Ba6 Ge4 N4 -","2","0.5","","Yamane, H; DiSalvo, F J","A barium germanium nitride, Ba3 Ge2 N2, containing (1-infinite)Ge(2-) and (Ge N2)(4-) anions","Journal of Alloys Compd.","1996","241","","69","74","10.1016/0925-8388(96)02326-2","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005032","6.201","0.0012","10.511","0.002","10.07","0.002","90","","90","","90","","656.3","","","","","","","","","","","","","3","P n n a","-P 2a 2bc","52","","Tribarium digallium nitride","","- Ba3 Ga2 N4 -","- Ba3 Ga2 N4 -","- Ba12 Ga8 N16 -","4","0.5","","Yamane, H; DiSalvo, F J","Ba3 Ga2 N4","Acta Crystallographica C (39,1983-)","1996","52","","760","761","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005033","8.461","0.001","8.461","0.001","8.461","0.001","90","","90","","90","","605.7","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Cerium palladium antimonide (8/24/1)","","- Ce8 Pd24 Sb -","- Ce8 Pd24 Sb -","- Ce8 Pd24 Sb -","1","0.0208333","","Gordon, R A; DiSalvo, F J","Crystal structure and magnetic susceptibility of Ce8 Pd24 Sb","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","52","56","","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005044","13.769","0.002","8.0412","0.0008","9.3482","0.001","90","","90","","90","","1035","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Dicerium nonapalladium triantimonide","","- Ce2 Pd9 Sb3 -","- Ce2 Pd9 Sb3 -","- Ce8 Pd36 Sb12 -","4","0.25","","Gordon, R A; DiSalvo, F J; Poettgen, R; Brese, N E","Crystal structure, electric and magnetic behaviour of Ce2 Pd9 Sb3","Journal of the Chemical Society. Faraday Transactions","1996","92","12","2167","2171","10.1039/ft9969202167","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006111","8.611","0.0003","4.9933","0.0002","16.1507","0.0007","90","","110.206","0.003","90","","651.7","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Titanium bis(hydrogenphosphate(V)) hydrate - α","","- H4 O9 P2 Ti -","- H8 O9 P2 Ti -","- H32 O36 P8 Ti4 -","4","1","","Salvadó, M. A.; Pertierra, P.; García-Granda, S.; García, J. R.; Rodríguez, J.; Fernández-Díaz, M. T.","Neutron powder diffraction study of α-Ti(HPO~4~)~2~.(H~2~O) and α-Hf(HPO~4~)~2~.(H~2~O); H-atom positions","Acta Crystallographica, Section B: Structural Science","1996","52","5","896","898","10.1107/s0108768196006702","","","","","","0.01","","","","","","","","","","","","","","","has coordinates","200140","2020-10-21","18:00:00",""
"1006112","8.9955","0.0005","5.2439","0.0003","16.224","0.001","90","","111.234","0.004","90","","713.4","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Hafnium bis(hydrogenphosphate(V)) hydrate - α","","- H4 Hf O9 P2 -","- H8 Hf O9 P2 -","- H32 Hf4 O36 P8 -","4","1","","Salvadó, M. A.; Pertierra, P.; García-Granda, S.; García, J. R.; Rodríguez, J.; Fernández-Díaz, M. T.","Neutron powder diffraction study of α-Ti(HPO~4~)~2~.(H~2~O) and α-Hf(HPO~4~)~2~.(H~2~O); H-atom positions","Acta Crystallographica, Section B: Structural Science","1996","52","5","896","898","10.1107/s0108768196006702","","","","","","0.009","","","","","","","","","","","","","","","has coordinates","200140","2020-10-21","18:00:00",""
"1007233","14.773","0.002","15.758","0.003","19.91409","0.0002","90","","90","","90","","4635.9","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Tetracalcium dipotassium cyclo-decaphosphate 16-hydrate","","- Ca4 H32 K2 O46 P10 -","- Ca4 H32 K2 O46 P10 -","- Ca16 H128 K8 O184 P40 -","4","1","","Averbuch-Pouchot, M-T; Durif, A; Schuelke, U","The calcium-potassium cyclodecaphosphate hexadecahydrate: Ca4 K2 P10 O30 . 16(H2 O)","European Journal of Solid State Inorganic Chemistry","1996","33","","1091","1100","","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008729","9.568","0.004","9.568","0.004","4.909","0.002","90","","90","","90","","449.4","","","","","","","","","","","","","4","P 4/n b m :2","-P 4a 2b","125","","Calcium disodium tetrakis(phosphate(V))","","- Ca Na2 O12 P4 -","- Ca Na2 O12 P4 -","- Ca2 Na4 O24 P8 -","2","0.125","","Averbuch-Pouchot, M T","Ca Na2 P4 O12, a new compound in the Ca (P O3)2 - Na P O3 system","European Journal of Solid State Inorganic Chemistry","1996","33","","15","18","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008736","7.2956","0.0007","7.5605","0.0007","7.2512","0.0007","90","","117.368","0.002","90","","355.2","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Iron iron(III) phosphate(V) - β","","- Fe2 O5 P -","- Fe2 O5 P -","- Fe8 O20 P4 -","4","0.5","","Elkaïm, E.; Berar, J. F.; Gleitzer, C.; Malaman, B.; Ijjaali, M.; Lecomte, C.","Occurrence of a monoclinic distortion in β-Fe~2~PO~5~","Acta Crystallographica, Section B: Structural Science","1996","52","3","428","431","10.1107/s0108768195014273","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","200140","2020-10-21","18:00:00",""
"1008737","3.4347","0.0001","3.4347","0.0001","12.9735","0.0003","90","","90","","120","","132.5","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Deuterium niobium selenide (0.41/1/2)","","- D0.41 Nb Se2 -","- D0.0342 Nb Se2 -","- D0.0684 Nb2 Se4 -","2","0.0833333","","Kulikov, L M; Semjonov-Kobzar, A A; Antonova, M M; Chechovsky, A A; Akselrud, L G; Skolozdra, R V; Fruchart, D; Soubeyroux, J L","X-ray and neutron diffraction studies of the formation and structure of hydrogen intercalated 2H - Nb Se2 phases","Journal of Alloys Compd.","1996","244","","11","15","10.1016/S0925-8388(96)02427-9","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008738","3.4329","0.0006","3.4329","0.0006","12.965","0.003","90","","90","","120","","132.3","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Deuterium niobium selenide (0.62/1/2)","","- D0.62 Nb Se2 -","- D0.62 Nb Se2 -","- D1.24 Nb2 Se4 -","2","0.0833333","","Kulikov, L M; Semjonov-Kobzar, A A; Antonova, M M; Chechovsky, A A; Akselrud, L G; Skolozdra, R V; Fruchart, D; Soubeyroux, J L","X-ray and neutron diffraction studies of the formation and structure of hydrogen intercalated 2H - Nb Se2 phases","Journal of Alloys Compd.","1996","244","","11","15","10.1016/S0925-8388(96)02427-9","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008739","3.4362","0.0001","3.4362","0.0001","12.9635","0.0004","90","","90","","120","","132.6","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Deuterium niobium selenide (0.49/1/2)","","- D0.49 Nb Se2 -","- D0.0408 Nb Se2 -","- D0.0816 Nb2 Se4 -","2","0.0833333","","Kulikov, L M; Semjonov-Kobzar, A A; Antonova, M M; Chechovsky, A A; Akselrud, L G; Skolozdra, R V; Fruchart, D; Soubeyroux, J L","X-ray and neutron diffraction studies of the formation and structure of hydrogen intercalated 2H - Nb Se2 phases","Journal of Alloys Compd.","1996","244","","11","15","10.1016/S0925-8388(96)02427-9","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008740","3.4369","0.0005","3.4369","0.0005","12.958","0.003","90","","90","","120","","132.6","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Deuterium niobium selenide (0.51/1/2)","","- D0.51 Nb Se2 -","- D0.51 Nb Se2 -","- D1.02 Nb2 Se4 -","2","0.0833333","","Kulikov, L M; Semjonov-Kobzar, A A; Antonova, M M; Chechovsky, A A; Akselrud, L G; Skolozdra, R V; Fruchart, D; Soubeyroux, J L","X-ray and neutron diffraction studies of the formation and structure of hydrogen intercalated 2H - Nb Se2 phases","Journal of Alloys Compd.","1996","244","","11","15","10.1016/S0925-8388(96)02427-9","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008741","3.4461","0.0001","3.4461","0.0001","12.581","0.0004","90","","90","","120","","129.4","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Hydrogen niobium selenide (0.07/1/2)","","- H0.07 Nb Se2 -","- H0.0058 Nb Se2 -","- H0.0116 Nb2 Se4 -","2","0.0833333","","Kulikov, L. M.; Semjonov-Kobzar, A. A.; Antonova, M. M.; Chechovsky, A. A.; Akselrud, L. G.; Skolozdra, R. V.; Fruchart, D.; Soubeyroux, J. L.","X-ray and neutron diffraction studies of the formation and structure of hydrogen intercalated 2H - Nb Se2 phases","Journal of Alloys and Compounds","1996","244","1-2","11","15","10.1016/S0925-8388(96)02427-9","","","","","","0.094","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1008742","3.4471","0.0005","3.4471","0.0005","12.586","0.002","90","","90","","120","","129.5","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Hydrogen niobium selenide (0.07/1/2)","","- H0.07 Nb Se2 -","- H0.07 Nb Se2 -","- H0.14 Nb2 Se4 -","2","0.0833333","","Kulikov, L M; Semjonov-Kobzar, A A; Antonova, M M; Chechovsky, A A; Akselrud, L G; Skolozdra, R V; Fruchart, D; Soubeyroux, J L","X-ray and neutron diffraction studies of the formation and structure of hydrogen intercalated 2H - Nb Se2 phases","Journal of Alloys Compd.","1996","244","","11","15","10.1016/S0925-8388(96)02427-9","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008771","3.8464","0.0002","3.8464","0.0002","15.739","0.001","90","","90","","90","","232.9","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Mercury gold barium calcium copper oxide (0.69/0.17/2/2/3/8.30)","","- Au0.17 Ba2 Ca2 Cu3 Hg0.69 O8.3 -","- Au0.17 Ba2 Ca2 Cu3 Hg0.69 O8.3 -","- Au0.17 Ba2 Ca2 Cu3 Hg0.69 O8.3 -","1","0.0625","","Bordet, P; Le Floch, S; Capponi, J J; Chaillout, C; Gorius, M F; Marezio, M; Tholence, J L; Radaelli, P G","Gold substitution in mercury cuprate superconductors","Physica C (Amsterdam) (152,1988-)","1996","262","","151","158","10.1016/0921-4534(96)00224-9","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008859","15.854","0.009","15.854","0.009","51.26","0.02","90","","90","","120","","11158","","","","","","","","","","","","","6","R -3 :H","-R 3","148","","Guanidinium cyclo-dodecaphosphate - telluric acid - water (1/12/24)","","- C12 H192 N36 O132 P12 Te12 -","- C12 H192 N36 O132 P12 Te12 -","- C36 H576 N108 O396 P36 Te36 -","3","0.166667","","Averbuch-Pouchot, M. T.; Schülke, U.","Preparation and crystal structure of guanidinium cyclododecaphosphate telluric acid hydrate: (C (N H2)3)12 P12 O36. 12Te (O H)6 . 24H2 O","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","11","1997","2002","10.1002/zaac.19966221131","","","","","","0.031","","","","","","","","","","","","","","","has coordinates,has disorder","205555","2020-10-21","18:00:00",""
"1008860","9.782","0.001","9.782","0.001","6.298","0.002","90","","90","","120","","521.9","","","","","","","","","","","","","3","P 3 2 1","P 3 2""","150","","Dipotassium dithionate(V)","","- K2 O6 S2 -","- K2 O6 S2 -","- K6 O18 S6 -","3","0.5","","de Matos Gomes, E; Ortega, J; Extebarria, J; Zuniga, F J; Breczewski, T","The crystal structure and optical activity of potassium dithionate, K2 S2 O6","Journal of Physics: Condensed Matter","1996","8","","2063","2071","10.1088/0953-8984/8/12/018","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008867","6.6097","0.0001","10.4023","0.0002","6.3371","0.0001","90","","90","","90","","435.7","","","","","","","","","","","","","2","I m m 2","I 2 -2","44","","Chromium phosphide (2/1)","","- Cr2 P -","- Cr2 P -","- Cr24 P12 -","12","1.5","","Artigas, M; Bacmann, M; Fruchart, D; Fruchart, R","La structure cristalline de Cr2 P: Distorsion orthorhombique de la structure hexagonale de type Fe2 P","Journal of Solid State Chemistry","1996","123","","306","312","10.1006/jssc.1996.0184","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008972","6.329","0.002","8.743","0.002","13.004","0.004","105.59","0.02","90.47","0.03","105.13","0.02","666.7","","","","","","","","","","","","","4","P -1","-P 1","2","","Bis(aquacerium) dioxalate carbonate 2.5-hydrate","","- C5 H9 Ce2 O15.5 -","- C5 H9 Ce2 O15.5 -","- C10 H18 Ce4 O31 -","2","1","","Romero, S; Mosset, A; Trombe, J C","Two new families of lanthanide mixed-ligand complexes, oxalate- carbonate and oxalate-formate: synthesis and and structure of (Ce (H2 O))2 (C2 O4)2 (C O3) * 2.5 H2 O","Journal of Solid State Chemistry","1996","127","","256","266","10.1006/jssc.1996.0382","","","","","","0.0186","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1008973","7.322","0.001","10.825","0.002","6.738","0.001","90","","90","","90","","534.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cerium oxalate formate","","- C3 H Ce O6 -","- C3 H Ce O6 -","- C12 H4 Ce4 O24 -","4","0.5","","Romero, S; Mosset, A; Trombe, J C","Two new families of lanthanide mixed-ligand complexes, oxalate- carbonate and oxalate-formate: synthesis and and structure of (Ce (H2 O))2 (C2 O4)2 (C O3) * 2.5 H2 O","Journal of Solid State Chemistry","1996","127","","256","266","10.1006/jssc.1996.0382","","","","","","0.0189","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1100007","5.18","0.004","8.993","0.006","20.06898","0.013","90","","95.69","0.06","90","","930.3","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Potassium aluminium phyllo-alumosilicate hydroxide fluoride *","Muscovite 2M1","- Al2.873 F0.256 H1.744 K0.894 O11.744 Si2.829 -","- Al2.873 F0.256 H2.616 K0.894 O11.744 Si2.829 -","- Al11.492 F1.024 H10.464 K3.576 O46.976 Si11.316 -","4","0.5","","Liang, J-J; Hawthorne, F C","Rietveld refinement of micaceous materials: muscovite-2M1, a comparison with single-crystal structure refinement","Canadian Mineralogist","1996","34","","115","122","","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100008","5.1765","0.0004","8.9872","0.0006","20.07199","0.001","90","","95.756","0.006","90","","929.1","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Potassium aluminium phyllo-alumosilicate hydroxide fluoride *","Muscovite 2M1","- Al2.905 F0.256 H1.744 K0.86 O11.744 Si2.895 -","- Al2.905 F0.256 H2.616 K0.86 O11.744 Si2.895 -","- Al11.62 F1.024 H10.464 K3.44 O46.976 Si11.58 -","4","0.5","","Liang, J-J; Hawthorne, F C","Rietveld refinement of micaceous materials: muscovite-2M1, a comparison with single-crystal structure refinement","Canadian Mineralogist","1996","34","","115","122","","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100009","5.1805","0.0007","8.994","0.001","20.086","0.002","90","","95.74","0.007","90","","931.2","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Potassium aluminium phyllo-alumosilicate hydroxide fluoride *","Muscovite 2M1","- Al2.91 F0.256 H1.744 K0.94 O11.744 Si2.85 -","- Al2.91 F0.256 H2.616 K0.94 O11.744 Si2.85 -","- Al11.64 F1.024 H10.464 K3.76 O46.976 Si11.4 -","4","0.5","","Liang, J-J; Hawthorne, F C","Rietveld refinement of micaceous materials: muscovite-2M1, a comparison with single-crystal structure refinement","Canadian Mineralogist","1996","34","","115","122","","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100095","15.895","0.001","3.105","0.001","13.367","0.001","90","","90","","90","","659.7","","","","","","","","","","","","","4","C c m m","-C 2c 2c","63","","Hexamagnesium dihydrogensulfate hydroxide","","- H14 Mg6 O16 S -","- H14 Mg6 O16 S -","- H28 Mg12 O32 S2 -","2","0.125","","Hamada, E.; Ishizawa, N.; Marumo, F.; Ohsumi, K.; Shimizugawa, Y.; Reizen, K.; Matsunami, T.","Structure of Mg~6~SO~2~(OH)~14~ determined by micro single-crystal X-ray diffraction","Acta Crystallographica B (39,1983-)","1996","52","2","266","269","10.1107/S0108768195014443","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","188422","2020-10-21","18:00:00",""
"1100424","8.724","0.003","11.463","0.001","14.777","0.002","108.12","","103.99","","99.47","","1315.96","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H33 B Cr O3 -","- C30 H33 B Cr O3 -","- C60 H66 B2 Cr2 O6 -","2","1","","Elschenbroich, Christoph; Kühlkamp, Peter; Behrendt, Andreas; Harms, Klaus","Metall-π-Komplexe von Benzolderivaten, 49. Halbsandwichkomplexe des Trimesitylborans Mes~3~B: Darstellung und Struktur von Mes~2~B[(η^6^-Mes)Cr(CO)~3~], MesB[(η^6^-Mes)Cr(CO)~3~]~2~ und B[(η^6^-Mes)Cr(CO)~3~]~3~. Redoxverhalten und Fragen der intramolekularen Wechselwirkung","Chemische Berichte","1996","129","7","859","869","10.1002/cber.19961290720","","","","","","","","","","","","","","","","","","","","","has coordinates","177579","2020-10-21","18:00:00",""
"1100425","33.631","0.007","12.174","0.002","15.285","0.003","90","","90","","90","","6258.04","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C33 H33 B Cr2 O6 -","- C33 H33 B Cr2 O6 -","- C264 H264 B8 Cr16 O48 -","8","1","","Elschenbroich, Christoph; Kühlkamp, Peter; Behrendt, Andreas; Harms, Klaus","Metall-π-Komplexe von Benzolderivaten, 49. Halbsandwichkomplexe des Trimesitylborans Mes~3~B: Darstellung und Struktur von Mes~2~B[(η^6^-Mes)Cr(CO)~3~], MesB[(η^6^-Mes)Cr(CO)~3~]~2~ und B[(η^6^-Mes)Cr(CO)~3~]~3~. Redoxverhalten und Fragen der intramolekularen Wechselwirkung","Chemische Berichte","1996","129","7","859","869","10.1002/cber.19961290720","","","","","","","","","","","","","","","","","","","","","has coordinates","177579","2020-10-21","18:00:00",""
"1100426","16.151","0.002","16.151","0.002","8.203","0.002","90","","90","","120","","1853.11","","","","","","","","","","","","","5","P -3","-P 3","147","","","","- C36 H33 B Cr3 O9 -","- C112 H99 B Cr9 O27 -","- C224 H198 B2 Cr18 O54 -","2","0.333333","","Elschenbroich, Christoph; Kühlkamp, Peter; Behrendt, Andreas; Harms, Klaus","Metall-π-Komplexe von Benzolderivaten, 49. Halbsandwichkomplexe des Trimesitylborans Mes~3~B: Darstellung und Struktur von Mes~2~B[(η^6^-Mes)Cr(CO)~3~], MesB[(η^6^-Mes)Cr(CO)~3~]~2~ und B[(η^6^-Mes)Cr(CO)~3~]~3~. Redoxverhalten und Fragen der intramolekularen Wechselwirkung","Chemische Berichte","1996","129","7","859","869","10.1002/cber.19961290720","","","","","","","","","","","","","","","","","","","","","has coordinates","177579","2020-10-21","18:00:00",""
"1100427","20.799","0.001","20.799","0.001","14.501","0.0007","90","","90","","120","","5432.67","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H108 Li12 O24 -","- C288 H648 Li72 O144 -","- C864 H1944 Li216 O432 -","3","0.166667","","Boche, Gernot; Möbus, Konrad; Harms, Klaus; Lohrenz, John C. W.; Marsch, Michael","[Lithiumtert-butylperoxide]~12~: Crystal Structure of an Aggregated Oxenoid","Chemistry - A European Journal","1996","2","5","604","607","10.1002/chem.19960020521","","","","","","","","","","","","","","","","","","","","","has coordinates","177550","2020-10-21","18:00:00",""
"1100428","11.348","0.001","12.175","0.001","18.923","0.002","90","","90","","90","","2614.44","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 O5 S2 V -","- C28 H26 N2 O5 S2 V -","- C112 H104 N8 O20 S8 V4 -","4","1","","Bolm, Carsten; Bienewald, Frank; Harms, Klaus","Syntheses and Vanadium Complex of Salen-like Bissulfoximines","Synlett","1996","1996","8","775","776","10.1055/s-1996-5512","","","","","","","","","","","","","","","","","","","","","has coordinates","178091","2020-10-21","18:00:00",""
"1100429","9.951","0.001","9.951","0.001","23.091","0.001","90","","90","","120","","1980.19","","","","","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C28 H28 N2 O4 S2 -","- C56 H56 N4 O8 S4 -","- C168 H168 N12 O24 S12 -","3","0.5","","Bolm, Carsten; Bienewald, Frank; Harms, Klaus","Syntheses and Vanadium Complex of Salen-like Bissulfoximines","Synlett","1996","1996","8","775","776","10.1055/s-1996-5512","","","","","","","","","","","","","","","","","","","","","has coordinates","178091","2020-10-21","18:00:00",""
"1100458","14.175","0.004","18.969","0.004","15.866","0.003","90","","101.22","0.01","90","","4184.6","","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C80 H78 Cl8 F6 N4 P4 Ti2 -","- C152 Cl8 F12 N8 P8 Ti4 -","- C304 Cl16 F24 N16 P16 Ti8 -","2","0.5","","Grün, Marion; Harms, Klaus; Köcker, Rolf Meyer Zu; Dehnicke, Kurt; Goesmann, Helmut","Kristallstrukturen von [TiF~3~(NPPh~3~)(HNPPh~3~)]~2~ und von HNPPh~3~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","6","1091","1096","10.1002/zaac.19966220626","","","","","","","","","","","","","","","","","","","","","has coordinates","176957","2020-10-21","18:00:00",""
"1100459","14.604","0.009","9.289","0.006","10.966","0.006","90","","93.35","0.05","90","","1485.07","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N P -","- C18 H16 N P -","- C72 H64 N4 P4 -","4","1","","Grün, Marion; Harms, Klaus; Köcker, Rolf Meyer Zu; Dehnicke, Kurt; Goesmann, Helmut","Kristallstrukturen von [TiF~3~(NPPh~3~)(HNPPh~3~)]~2~ und von HNPPh~3~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","6","1091","1096","10.1002/zaac.19966220626","","","","","","","","","","","","","","","","","","","","","has coordinates","176957","2020-10-21","18:00:00",""
"1100460","13.82","0.002","13.82","0.002","8.625","0.002","90","","90","","120","","1426.61","","","","","","","","","","","","","5","P 61","P 61","169","","","","- C7 H9 N O2 S -","- C10 H9 N O2 S -","- C60 H54 N6 O12 S6 -","6","1","","Bolm, Carsten; Müller, Peter; Harms, Klaus","Sulfoximine‒Titanium Reagents in Enantioselective Trimethylsilylcyanations of Aldehydes","Acta Chemica Scandinavica","1996","50","","305","315","10.3891/acta.chem.scand.50-0305","","","","","","","","","","","","","","","","","","","","","has coordinates","178090","2020-10-21","18:00:00",""
"1100461","6.82","0.001","6.494","0.001","12.471","0.002","90","","97.49","0.03","90","","547.62","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C20 H30 N2 O4 S2 -","2","1","","Bolm, Carsten; Müller, Peter; Harms, Klaus","Sulfoximine‒Titanium Reagents in Enantioselective Trimethylsilylcyanations of Aldehydes","Acta Chemica Scandinavica","1996","50","","305","315","10.3891/acta.chem.scand.50-0305","","","","","","","","","","","","","","","","","","","","","has coordinates","178090","2020-10-21","18:00:00",""
"1100462","10.29","0.001","16.86","0.002","18.136","0.003","90","","90","","90","","3146.4","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O -","- C19 H19 N O -","- C152 H152 N8 O8 -","8","2","","Hoppe, I.; Hoppe, D.; Marsch, M.; Harms, K.; Boche, G.","Crystal structure of (1R)-1-methyl-1-(α-methylbenzyl-carboxamido)-indene, C~19~H~19~NO","Zeitschrift für Kristallographie","1996","211","5","331","332","10.1524/zkri.1996.211.5.331","","","","","","","","","","","","","","","","","","","","","has coordinates","178093","2020-10-21","18:00:00",""
"1100463","8.973","0.001","6.542","0.001","17.092","0.001","90","","90","","90","","1003.32","","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H10 I N3 -","- C8 H10 I N3 -","- C32 H40 I4 N12 -","4","0.5","","Boche, Gernot; Andrews, Phil; Harms, Klaus; Marsch, Michael; Rangappa, Kanchugarakoppal S.; Schimeczek, Michael; Willeke, Christoph","Crystal and Electronic Structure of Stable Nitrenium Ions. A Comparison with Structurally Related Carbenes","Journal of the American Chemical Society","1996","118","","4925","4930","10.1021/ja9536274","","","0.71073","MoKα","","0.0355","0.027","","0.0815","0.0732","","","","1.048","1.064","1.064","","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100464","26.993","0.004","5.599","0.001","15.917","0.002","90","","105.44","0.01","90","","2318.78","","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 I N3 -","- C10 H12 I N3 -","- C80 H96 I8 N24 -","8","1","","Boche, Gernot; Andrews, Phil; Harms, Klaus; Marsch, Michael; Rangappa, Kanchugarakoppal S.; Schimeczek, Michael; Willeke, Christoph","Crystal and Electronic Structure of Stable Nitrenium Ions. A Comparison with Structurally Related Carbenes","Journal of the American Chemical Society","1996","118","","4925","4930","10.1021/ja9536274","","","0.71073","MoKα","","0.0302","0.0193","","0.0522","0.0485","","","","1.06","1.075","1.075","","","","","has coordinates","177988","2020-10-21","18:00:00",""
"1100465","11.129","0.001","19.133","0.002","10.41","0.001","90","","90","","90","","2216.61","","","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H72 N4 P4 Zn4 -","- C56 H144 N8 P8 Zn8 -","- C112 H288 N16 P16 Zn16 -","2","0.5","","Krieger, Matthias; Gould, Robert O.; Harms, Klaus; Parsons, Simon; Dehnicke, Kurt","Zinkorganische Phosphaniminato-Komplexe mit Heterocuban-Struktur","Chemische Berichte","1996","129","12","1621","1625","10.1002/cber.19961291232","","","","","","","","","","","","","","","","","","","","","has coordinates","177580","2020-10-21","18:00:00",""
"1100466","11.8556","0.0007","16.3583","0.0011","16.552","0.002","90","","90","","90","","3210.05","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H48 N4 P4 Zn4 -","- C28 H96 N6 P6 Zn6 -","- C112 H384 N24 P24 Zn24 -","4","0.5","","Krieger, Matthias; Gould, Robert O.; Harms, Klaus; Parsons, Simon; Dehnicke, Kurt","Zinkorganische Phosphaniminato-Komplexe mit Heterocuban-Struktur","Chemische Berichte","1996","129","12","1621","1625","10.1002/cber.19961291232","","","","","","","","","","","","","","","","","","","","","has coordinates","177580","2020-10-21","18:00:00",""
"1100467","12.4","0.003","17.808","0.004","18.723","0.004","90","","106.02","0.03","90","","3973.84","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H63 I N3 P3 Zn4 -","- C25 H63 I N3 P3 Zn4 -","- C100 H252 I4 N12 P12 Zn16 -","4","1","","Krieger, Matthias; Gould, Robert O.; Harms, Klaus; Parsons, Simon; Dehnicke, Kurt","Zinkorganische Phosphaniminato-Komplexe mit Heterocuban-Struktur","Chemische Berichte","1996","129","12","1621","1625","10.1002/cber.19961291232","","","","","","","","","","","","","","","","","","","","","has coordinates","177580","2020-10-21","18:00:00",""
"1100468","14.441","0.001","5.973","0.004","14.522","0.001","90","","113.51","0.007","90","","1148.63","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 Cl N3 O4 -","- C9 H12 Cl N3 O4 -","- C36 H48 Cl4 N12 O16 -","4","1","","Boche, G.; Rangappa, K.; Harms, K.; Marsch, M.","Crystal structure of 1-benzyl-3-methyl-1,2,3-triazolium Perchlorate, (C~6~H~5~)(N~3~C~3~H~7~)^+^ ClO~4~^-^","Zeitschrift für Kristallographie","1996","211","8","581","582","10.1524/zkri.1996.211.8.581","","","","","","","","","","","","","","","","","","","","","has coordinates","178094","2020-10-21","18:00:00",""
"1100469","9.876","0.0005","11.023","0.001","29.415","0.002","90","","92.51","0.01","90","","3199.14","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 I N3 -","- C16 H16 I N3 -","- C128 H128 I8 N24 -","8","2","","Boche, G.; Willeke, C.; Marsch, M.; Harms, K.","Crystal structure of 1,3-dibenzyl-1,2,3-triazolium iodide, (C~6~H~5~CH~2~)~2~(C~2~H~2~N~3~)^+^I^-^","Zeitschrift für Kristallographie","1996","211","8","583","584","10.1524/zkri.1996.211.8.583","","","","","","","","","","","","","","","","","","","","","has coordinates","178095","2020-10-21","18:00:00",""
"1100470","12.713","0.001","10.728","0.005","12.731","0.001","90","","91.81","0.01","90","","1735.45","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Cl2 Li N3 -","- C16 H16 Cl2 Li N3 -","- C64 H64 Cl8 Li4 N12 -","4","1","","Müller, Achim; Marsch, Michael; Harms, Klaus; Lohrenz, John C. W.; Boche, Gernot","LiCHCl~2~ · 3 Pyridine, Structure of a Carbenoid with a Tetrahedral C Atom","Angewandte Chemie, International Edition in English","1996","35","1314","1518","1520","10.1002/anie.199615181","","","","","","","","","","","","","","","","","","","","","has coordinates","177019","2020-10-21","18:00:00",""
"1100471","13.61","0.001","8.1956","0.0009","14.225","0.001","90","","109.859","0.006","90","","1492.33","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H24 B F3 N P Si -","- C9 H24 B F3 N P Si -","- C36 H96 B4 F12 N4 P4 Si4 -","4","1","","Möhlen, M.; Harms, K.; Dehnicke, K.; Magull, J.; Goesmann, H.; Fenske, D.","Phosphanimin- und Phosphaniminato-Komplexe von Bor. Synthese und Kristallstrukturen von [BF~3~(Me~3~SiNPEt~3~)], [BCl~2~(NPPh~3~)]~2~, [BCl~2~(NPEt~3~)]~2~, [B~2~Cl~3~(NPEt~3~)~2~]^+^BCl~4~^-^ und [B~2~Cl~2~(NPiPr~3~)~3~]^+^BCl~4~^-^","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","10","1692","1700","10.1002/zaac.19966221011","","","","","","","","","","","","","","","","","","","","","has coordinates","177945","2020-10-21","18:00:00",""
"1100472","11.846","0.002","20.864","0.005","8.43","0.004","90","","96.86","0.03","90","","2068.6","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 B2 Cl8 N2 P2 -","- C74 H64 B4 Cl12 N4 P4 -","- C148 H128 B8 Cl24 N8 P8 -","2","0.5","","Möhlen, M.; Harms, K.; Dehnicke, K.; Magull, J.; Goesmann, H.; Fenske, D.","Phosphanimin- und Phosphaniminato-Komplexe von Bor. Synthese und Kristallstrukturen von [BF~3~(Me~3~SiNPEt~3~)], [BCl~2~(NPPh~3~)]~2~, [BCl~2~(NPEt~3~)]~2~, [B~2~Cl~3~(NPEt~3~)~2~]^+^BCl~4~^-^ und [B~2~Cl~2~(NPiPr~3~)~3~]^+^BCl~4~^-^","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","10","1692","1700","10.1002/zaac.19966221011","","","","","","","","","","","","","","","","","","","","","has coordinates","177945","2020-10-21","18:00:00",""
"1100473","12.695","0.001","11.387","0.001","14.703","0.002","90","","90","","90","","2125.44","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H30 B2 Cl4 N2 P2 -","- C24 H60 B4 Cl8 N4 P4 -","- C96 H240 B16 Cl32 N16 P16 -","4","0.5","","Möhlen, M.; Harms, K.; Dehnicke, K.; Magull, J.; Goesmann, H.; Fenske, D.","Phosphanimin- und Phosphaniminato-Komplexe von Bor. Synthese und Kristallstrukturen von [BF~3~(Me~3~SiNPEt~3~)], [BCl~2~(NPPh~3~)]~2~, [BCl~2~(NPEt~3~)]~2~, [B~2~Cl~3~(NPEt~3~)~2~]^+^BCl~4~^-^ und [B~2~Cl~2~(NPiPr~3~)~3~]^+^BCl~4~^-^","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","10","1692","1700","10.1002/zaac.19966221011","","","","","","","","","","","","","","","","","","","","","has coordinates","177945","2020-10-21","18:00:00",""
"1100474","13.093","0.002","16.198","0.004","24.107","0.004","90","","90","","90","","5112.62","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H30 B3 Cl7 N2 P2 -","- C12 H30 B3 Cl7 N2 P2 -","- C96 H240 B24 Cl56 N16 P16 -","8","1","","Möhlen, M.; Harms, K.; Dehnicke, K.; Magull, J.; Goesmann, H.; Fenske, D.","Phosphanimin- und Phosphaniminato-Komplexe von Bor. Synthese und Kristallstrukturen von [BF~3~(Me~3~SiNPEt~3~)], [BCl~2~(NPPh~3~)]~2~, [BCl~2~(NPEt~3~)]~2~, [B~2~Cl~3~(NPEt~3~)~2~]^+^BCl~4~^-^ und [B~2~Cl~2~(NPiPr~3~)~3~]^+^BCl~4~^-^","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","10","1692","1700","10.1002/zaac.19966221011","","","","","","","","","","","","","","","","","","","","","has coordinates","177945","2020-10-21","18:00:00",""
"1100475","19.765","0.004","8.602","0.002","26.127","0.005","90","","90","","90","","4442.07","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H65 B3 Cl8 N3 P3 -","- C28 H65 B3 Cl8 N3 P3 -","- C112 H260 B12 Cl32 N12 P12 -","4","1","","Möhlen, M.; Harms, K.; Dehnicke, K.; Magull, J.; Goesmann, H.; Fenske, D.","Phosphanimin- und Phosphaniminato-Komplexe von Bor. Synthese und Kristallstrukturen von [BF~3~(Me~3~SiNPEt~3~)], [BCl~2~(NPPh~3~)]~2~, [BCl~2~(NPEt~3~)]~2~, [B~2~Cl~3~(NPEt~3~)~2~]^+^BCl~4~^-^ und [B~2~Cl~2~(NPiPr~3~)~3~]^+^BCl~4~^-^","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","10","1692","1700","10.1002/zaac.19966221011","","","","","","","","","","","","","","","","","","","","","has coordinates","177945","2020-10-21","18:00:00",""
"1100482","10.218","0.002","11.927","0.002","21.439","0.004","87.21","0.03","85.95","0.03","74.16","0.03","2506.11","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 Cl N2 O P -","- C27 H28 Cl N2 O P -","- C108 H112 Cl4 N8 O4 P4 -","4","2","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt","N,N'-Dim ethylharnstoff als chelatisierende Lewis-Säure: Synthese und Kristallstrukturen von PPh~4~[Cl(H~2~Me~2~N~2~CO)] und (PPh~4~)~2~[Cl(H~2~Me~2~N~2~CO)]Cl / N.N'-Dimethylurea as a Chelating Lewis Acid: Synthesis and Crystal Structures of PPh~4~[Cl(H~2~Me~2~N~2~CO)] and (PPh~4~)~2~[Cl(H~2~Me~2~N2~C~O)]Cl","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1996","51","10","1423","1427","10.1515/znb-1996-1010","","","","","","","","","","","","","","","","","","","","","has coordinates","177084","2020-10-21","18:00:00",""
"1100483","11.384","0.002","28.554","0.003","13.94","0.001","90","","91.19","0.1","90","","4530.34","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H48 Cl2 N2 O P2 -","- C51 H48 Cl2 N2 O P2 -","- C204 H192 Cl8 N8 O4 P8 -","4","1","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt","N,N'-Dim ethylharnstoff als chelatisierende Lewis-Säure: Synthese und Kristallstrukturen von PPh~4~[Cl(H~2~Me~2~N~2~CO)] und (PPh~4~)~2~[Cl(H~2~Me~2~N~2~CO)]Cl / N.N'-Dimethylurea as a Chelating Lewis Acid: Synthesis and Crystal Structures of PPh~4~[Cl(H~2~Me~2~N~2~CO)] and (PPh~4~)~2~[Cl(H~2~Me~2~N2~C~O)]Cl","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1996","51","10","1423","1427","10.1515/znb-1996-1010","","","","","","","","","","","","","","","","","","","","","has coordinates","177084","2020-10-21","18:00:00",""
"1100484","16.272","0.001","8.763","0.003","13.353","0.001","90","","90","","90","","1904.02","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C11 H24 Cl4 N2 Nb P -","- C11 H24 Cl4 N2 Nb P -","- C44 H96 Cl16 N8 Nb4 P4 -","4","1","","Philipp, G.; Harms, K.; Dehnicke, K.; Maichle-Mössmer, C.; Abram, U.","Phosphaniminato-Komplexe von Niob und Tantal. Die Kristallstrukturen von [NbCl~4~(NPiPr~3~)(CH~3~CN)], [NbCl~3~(NPiPr~3~)~2~], [TaCl~4~(NPiPr~3~)]~2~ und [TaCl~3~(NPiPr~3~)~2~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","11","1927","1934","10.1002/zaac.19966221119","","","","","","","","","","","","","","","","","","","","","has coordinates","177946","2020-10-21","18:00:00",""
"1100485","13.027","0.001","13.217","0.001","16.72","0.001","90","","111.71","0.01","90","","2674.61","","","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H42 Cl3 N2 Nb P2 -","- C18 H36 Cl3 N2 Nb P2 -","- C72 H144 Cl12 N8 Nb4 P8 -","4","1","","Philipp, G.; Harms, K.; Dehnicke, K.; Maichle-Mössmer, C.; Abram, U.","Phosphaniminato-Komplexe von Niob und Tantal. Die Kristallstrukturen von [NbCl~4~(NPiPr~3~)(CH~3~CN)], [NbCl~3~(NPiPr~3~)~2~], [TaCl~4~(NPiPr~3~)]~2~ und [TaCl~3~(NPiPr~3~)~2~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","11","1927","1934","10.1002/zaac.19966221119","","","","","","","","","","","","","","","","","","","","","has coordinates","177946","2020-10-21","18:00:00",""
"1100486","14.206","0.001","14.839","0.001","16.22","0.001","90","","90","","90","","3419.22","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H42 Cl8 N2 P2 Ta2 -","- C42 H112 Cl16 N4 P4 Ta4 -","- C168 H448 Cl64 N16 P16 Ta16 -","4","0.5","","Philipp, G.; Harms, K.; Dehnicke, K.; Maichle-Mössmer, C.; Abram, U.","Phosphaniminato-Komplexe von Niob und Tantal. Die Kristallstrukturen von [NbCl~4~(NPiPr~3~)(CH~3~CN)], [NbCl~3~(NPiPr~3~)~2~], [TaCl~4~(NPiPr~3~)]~2~ und [TaCl~3~(NPiPr~3~)~2~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","11","1927","1934","10.1002/zaac.19966221119","","","","","","","","","","","","","","","","","","","","","has coordinates","177946","2020-10-21","18:00:00",""
"1100487","13.039","0.003","13.272","0.002","16.821","0.004","90","","111.92","0.01","90","","2700.49","","","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H42 Cl3 N2 P2 Ta -","- C18 H42 Cl3 N2 P2 Ta -","- C72 H168 Cl12 N8 P8 Ta4 -","4","1","","Philipp, G.; Harms, K.; Dehnicke, K.; Maichle-Mössmer, C.; Abram, U.","Phosphaniminato-Komplexe von Niob und Tantal. Die Kristallstrukturen von [NbCl~4~(NPiPr~3~)(CH~3~CN)], [NbCl~3~(NPiPr~3~)~2~], [TaCl~4~(NPiPr~3~)]~2~ und [TaCl~3~(NPiPr~3~)~2~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","11","1927","1934","10.1002/zaac.19966221119","","","","","","","","","","","","","","","","","","","","","has coordinates","177946","2020-10-21","18:00:00",""
"1100491","10.689","0.002","13.204","0.002","23.792","0.004","90","","94.85","0.01","90","","3345.92","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 As2 Cl4 N2 P2 -","- C6 H18 As2 Cl4 N2 P2 -","- C48 H144 As16 Cl32 N16 P16 -","8","2","","Garbe, Ralf; Wocadlo, Sigrid; Kang, Hak-Chul; Massa, Werner; Harms, Klaus; Dehnicke, Kurt","Phosphaniminato-Komplexe des Arsens. Kristallstrukturen von [AsCl(NPMe~3~)]~2~Cl~2~, [AsCl(NPMe~3~)~2~SbCl~4~]SbCl~6~ und [AsCl(NPMe~3~)~2~SnCl~4~] · CH~3~CN","Chemische Berichte","1996","129","1","109","113","10.1002/cber.19961290120","","","","","","","","","","","","","","","","","","","","","has coordinates","177576","2020-10-21","18:00:00",""
"1100492","26.667","0.006","7.921","0.003","25.604","0.002","90","","95.84","0.01","90","","5380.25","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H18 As Cl11 N2 P2 Sb2 -","- C6 As Cl11 N2 P2 Sb2 -","- C48 As8 Cl88 N16 P16 Sb16 -","8","1","","Garbe, Ralf; Wocadlo, Sigrid; Kang, Hak-Chul; Massa, Werner; Harms, Klaus; Dehnicke, Kurt","Phosphaniminato-Komplexe des Arsens. Kristallstrukturen von [AsCl(NPMe~3~)]~2~Cl~2~, [AsCl(NPMe~3~)~2~SbCl~4~]SbCl~6~ und [AsCl(NPMe~3~)~2~SnCl~4~] · CH~3~CN","Chemische Berichte","1996","129","1","109","113","10.1002/cber.19961290120","","","","","","","","","","","","","","","","","","","","","has coordinates","177576","2020-10-21","18:00:00",""
"1100493","8.895","0.002","14.233","0.001","17.012","0.001","90","","102.59","0.01","90","","2101.97","","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H21 As Cl5 N3 P2 Sn -","- C8 H21 As Cl5 N3 P2 Sn -","- C32 H84 As4 Cl20 N12 P8 Sn4 -","4","1","","Garbe, Ralf; Wocadlo, Sigrid; Kang, Hak-Chul; Massa, Werner; Harms, Klaus; Dehnicke, Kurt","Phosphaniminato-Komplexe des Arsens. Kristallstrukturen von [AsCl(NPMe~3~)]~2~Cl~2~, [AsCl(NPMe~3~)~2~SbCl~4~]SbCl~6~ und [AsCl(NPMe~3~)~2~SnCl~4~] · CH~3~CN","Chemische Berichte","1996","129","1","109","113","10.1002/cber.19961290120","","","","","","","","","","","","","","","","","","","","","has coordinates","177576","2020-10-21","18:00:00",""
"1100494","16.798","0.001","16.798","0.001","8.997","0.001","90","","90","","90","","2538.71","","","","","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C56 H40 Cl I4 P -","- C56 Cl I4 P -","- C112 Cl2 I8 P2 -","2","0.25","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt","Komplexe von Halogenid-Ionen mit 1-Halogen-2-phenylacetylenen. Kristallstrukturen von PPh~4~[X(I‒C≡C‒Ph)~4~] mit X = Cl, Br, I, von PPh~4~[Br(Br‒C≡C‒Ph)~4~] und von NMe~4~[F(I‒C≡C‒Ph)~2~]","Chemische Berichte","1996","129","1","115","120","10.1002/cber.19961290121","","","","","","","","","","","","","","","","","","","","","has coordinates","177577","2020-10-21","18:00:00",""
"1100495","16.807","0.001","16.807","0.001","9.015","0.001","90","","90","","90","","2546.51","","","","","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C56 H40 Br I4 P -","- C56 H40 Br I4 P -","- C112 H80 Br2 I8 P2 -","2","0.25","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt","Komplexe von Halogenid-Ionen mit 1-Halogen-2-phenylacetylenen. Kristallstrukturen von PPh~4~[X(I‒C≡C‒Ph)~4~] mit X = Cl, Br, I, von PPh~4~[Br(Br‒C≡C‒Ph)~4~] und von NMe~4~[F(I‒C≡C‒Ph)~2~]","Chemische Berichte","1996","129","1","115","120","10.1002/cber.19961290121","","","","","","","","","","","","","","","","","","","","","has coordinates","177577","2020-10-21","18:00:00",""
"1100496","17.02","0.01","17.02","0.01","9.881","0.001","90","","90","","90","","2862.33","","","","","","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C56 H40 I5 P -","- C56 H40 I5 P -","- C112 H80 I10 P2 -","2","0.25","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt","Komplexe von Halogenid-Ionen mit 1-Halogen-2-phenylacetylenen. Kristallstrukturen von PPh~4~[X(I‒C≡C‒Ph)~4~] mit X = Cl, Br, I, von PPh~4~[Br(Br‒C≡C‒Ph)~4~] und von NMe~4~[F(I‒C≡C‒Ph)~2~]","Chemische Berichte","1996","129","1","115","120","10.1002/cber.19961290121","","","","","","","","","","","","","","","","","","","","","has coordinates","177577","2020-10-21","18:00:00",""
"1100497","15.383","0.004","8.53","0.002","18.636","0.003","90","","95.24","0.02","90","","2435.14","","","","","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C56 H40 Br5 P -","- C56 H40 Br5 P -","- C112 H80 Br10 P2 -","2","0.5","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt","Komplexe von Halogenid-Ionen mit 1-Halogen-2-phenylacetylenen. Kristallstrukturen von PPh~4~[X(I‒C≡C‒Ph)~4~] mit X = Cl, Br, I, von PPh~4~[Br(Br‒C≡C‒Ph)~4~] und von NMe~4~[F(I‒C≡C‒Ph)~2~]","Chemische Berichte","1996","129","1","115","120","10.1002/cber.19961290121","","","","","","","","","","","","","","","","","","","","","has coordinates","177577","2020-10-21","18:00:00",""
"1100498","7.25","0.001","10.093","0.001","15.337","0.002","90","","100.21","0.01","90","","1104.5","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H22 F I2 N -","- C20 H22 F I2 N -","- C40 H44 F2 I4 N2 -","2","1","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt","Komplexe von Halogenid-Ionen mit 1-Halogen-2-phenylacetylenen. Kristallstrukturen von PPh~4~[X(I‒C≡C‒Ph)~4~] mit X = Cl, Br, I, von PPh~4~[Br(Br‒C≡C‒Ph)~4~] und von NMe~4~[F(I‒C≡C‒Ph)~2~]","Chemische Berichte","1996","129","1","115","120","10.1002/cber.19961290121","","","","","","","","","","","","","","","","","","","","","has coordinates","177577","2020-10-21","18:00:00",""
"1100499","14.434","0.001","14.434","0.001","7.147","0.001","90","","90","","90","","1489.01","","","","","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C28 H20 Cl I4 P -","- C28 H20 Cl I4 P -","- C56 H40 Cl2 I8 P2 -","2","0.25","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt","Komplexe von Halogenid-Ionen mit Diiodacetylen. Die Kristallstrukturen von PPh~4~[X(I-C≡C-I)~2~] mit X = Cl, Br, I","Chemische Berichte","1996","129","2","259","262","10.1002/cber.19961290224","","","","","","","","","","","","","","","","","","","","","has coordinates","177578","2020-10-21","18:00:00",""
"1100500","14.499","0.001","14.499","0.001","7.167","0.001","90","","90","","90","","1506.65","","","","","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C28 H20 Br I4 P -","- C28 H20 Br I4 P -","- C56 H40 Br2 I8 P2 -","2","0.25","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt","Komplexe von Halogenid-Ionen mit Diiodacetylen. Die Kristallstrukturen von PPh~4~[X(I-C≡C-I)~2~] mit X = Cl, Br, I","Chemische Berichte","1996","129","2","259","262","10.1002/cber.19961290224","","","","","","","","","","","","","","","","","","","","","has coordinates","177578","2020-10-21","18:00:00",""
"1100501","14.618","0.007","14.618","0.007","7.123","0.006","90","","90","","90","","1522.08","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C28 H20 I5 P -","- C28 H20 I5 P -","- C56 H40 I10 P2 -","2","0.25","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt","Komplexe von Halogenid-Ionen mit Diiodacetylen. Die Kristallstrukturen von PPh~4~[X(I-C≡C-I)~2~] mit X = Cl, Br, I","Chemische Berichte","1996","129","2","259","262","10.1002/cber.19961290224","","","","","","","","","","","","","","","","","","","","","has coordinates","177578","2020-10-21","18:00:00",""
"1100502","10.363","0.002","10.397","0.002","12.137","0.002","92.88","0.01","109.44","0.01","104.47","0.01","1181.21","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H48 Cl6 N2 O10 Ti2 -","- C23 H48 Cl6 N2 O10 Ti2 -","- C46 H96 Cl12 N4 O20 Ti4 -","2","1","","Boche, Gernot; Möbus, Konrad; Harms, Klaus; Marsch, Michael","[((η^2^-tert-Butylperoxo)titanatrane)~2~ · 3 Dichloromethane]: X-ray Crystal Structure and Oxidation Reactions","Journal of the American Chemical Society","1996","118","11","2770","2771","10.1021/ja954308f","","","","","","","","","","","","","","","","","","","","","has coordinates","177983","2020-10-21","18:00:00",""
"1101115","8.128","0.003","8.824","0.003","9.993","0.003","115.05","0.02","101.83","0.03","91.75","0.02","630","0.4","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C7 H13 Ag N4 O6 S -","- C7 H8 Ag N4 O6 S -","- C14 H16 Ag2 N8 O12 S2 -","2","1","","Juan M. Salas; M. Angustias Romero; Abderrahman Rahmani; Miguel Quirós","Dimeric complexes generated by the reaction of 5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine and silver sulphate: X-ray evidence of the coexistence of two different dimers in the same crystal","Anales de Quimica, International Edition","1996","92","","249","254","","","","","","","","0.045","","","0.047","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1101129","7.2294","0.0007","11.54","0.001","14.67","0.002","90","","90","","90","","1223.9","0.6","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 N2 O3 -","- C12 H14 N2 O3 -","- C48 H56 N8 O12 -","4","1","","Raj P. Sharma; Paramjit Singh; Kuldip K. Bhasin; Miguel Quirós; Juan M. Salas; J. F. Hansen","Synthesis, spectroscopic and X-ray structural study of 4-p-methoxy-phenylimino-3-hydroxyimino-2-pentanone","Journal of Chemical Cristallography","1996","26","6","407","412","10.1007/BF01665820","","","","","","","0.051","","","0.092","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"1101136","16.778","0.003","18.433","0.004","13.403","0.004","90","","90","","90","","4145","2","293","","293","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28 H36 Ag4 N16 O13 S3 -","- C28 H36 Ag4 N16 O13 S3 -","- C112 H144 Ag16 N64 O52 S12 -","4","0.5","","Juan M. Salas; M. Angustias Romero; Abderrahman Rahmani; Miguel Quirós","Dimeric complexes generated by the reaction of 5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine and silver sulphate: X-ray evidence of the coexistence of two different dimers in the same crystal","Anales de Quimica, International Edition","1996","92","","249","254","","","","","","","","0.064","","","0.082","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1101137","14.207","0.003","15.187","0.003","17.165","0.003","90","","90","","90","","3703.5","1.3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H16 N8 O3 Pt S -","- C14 H16 N8 O3 Pt S -","- C112 H128 N64 O24 Pt8 S8 -","8","1","","Navarro, Jorge A. R.; Romero, M. Angustias; Salas, Juan M.; Quirós, Miguel; El Bahraoui, Jaouad; Molina, José","Binuclear Platinum(II) Triazolopyrimidine Bridged Complexes. Preparation, Crystal Structure, NMR Spectroscopy, and ab Initio MO Investigation on the Bonding Nature of the Pt(II)···Pt(II) Interaction in the Model Compound {Pt2[NHCHN(C(CH2)(CH3))]4}}","Inorganic Chemistry","1996","35","26","7829","7835","10.1021/ic960496e","","","","","","","0.0933","","","0.1152","","","","","","","","","","","has coordinates,has disorder","210307","2020-10-21","18:00:00",""
"1101141","13.362","0.002","13.566","0.003","22.532","0.003","90","","90","","90","","4084.4","1.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H8 Cu N3 O5.5 -","- C5 H8 Cu N3 O5.5 -","- C80 H128 Cu16 N48 O88 -","16","4","","Francisco Hueso-Ureña; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas; René Faure; Gerardo Álvarez de Cienfuegos","Spectral and magnetic properties, and biological activity of several coordination compounds of dinegative isoorotato and 2-thioisoorotato ligands. Crystal structure of the tetrameric complex [Cu~4~(isoorotato^2-^)~4~(NH~3~)~4(H~2~O)~2~].4H~2~O","Inorganica Chimica Acta","1996","241","","61","69","10.1016/0020-1693(95)04741-7","","","","","","","0.0829","","","0.2212","","","","","","","","","","","has coordinates","198667","2020-10-21","18:00:00",""
"1200005","11.795","0.005","2.91","0.01","5.621","0.007","90","","103.79","","90","","187.4","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Aluminium oxide - $-theta","","- Al2 O3 -","- Al2 O3 -","- Al8 O12 -","4","0.5","","Husson, E; Repelin, Y","Structural studies of transition aluminas. Theta alumina","European Journal of Solid State Inorganic Chemistry","1996","33","","1223","1231","","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501622","9.087","0.002","7.699","0.002","7.792","0.002","90","","103.82","0.02","90","","529.4","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H14 Cl4 N2 Pd -","- C4 H14 Cl4 N2 Pd -","- C8 H28 Cl8 N4 Pd2 -","2","0.5","","Thierry Maris; Georges Bravic; Nguyen Ba Chan; Jean-Michel Leger; Jean-Claude Bissey; Antoine Villesuzanne; Ridha Zouari; Abdelaziz Daoud","Structures and thermal behavior in the series of two-dimensional molecular composites NH~3~-(CH~2~)~4~-NH~3~ MCl~4~ related to the nature of the metal M. Part 1 : Crystal structure and phase transition in the case M=Cu and Pd.","J. Phys. Chem. Solids","1996","57","","1963","1975","10.1016/S0022-3697(96)00045-5","","x-ray","0.71073","MoKα","","","0.0178","","","0.022","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501623","10.419","0.003","7.442","0.001","7.225","0.005","90","","93.46","0.04","90","","559.2","0.4","","","","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H14 Cl4 Cu N2 -","- C4 H14 Cl4 Cu N2 -","- C8 H28 Cl8 Cu2 N4 -","2","0.5","","Thierry Maris; Georges Bravic; Nguyen Ba Chan; Jean-Michel Leger; Jean-Claude Bissey; Antoine Villesuzanne; Ridha Zouari; Abdelaziz Daoud","Structures and thermal behavior in the series of two-dimensional molecular composites NH~3~-(CH~2~)~4~-NH~3~ MCl~4~ related to the nature of the metal M. Part 1 : Crystal structure and phase transition in the case M=Cu and Pd.","J. Phys. Chem. Solids","1996","57","","1963","1975","10.1016/S0022-3697(96)00045-5","","x-ray","1.54178","CuKα","","","0.042","","","0.0812","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507776","5.6614","0.0004","32.515","0.007","3.9525","0.0003","90","","90","","90","","727.58","0.17","298","","298","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Nb4 O17 Sr5 Ti -","- Nb4 O17 Sr5 Ti -","- Nb8 O34 Sr10 Ti2 -","2","0.25","","Drews, A R; Wong-Ng, W; Roth, R S; Vanderah, T A","PREPARATION AND CRYSTAL STRUCTURE OF Sr5TiNb4O17","Materials Research Bulletin","1996","31","","153","163","10.1016/0025-5408(95)00177-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509004","4.35","","4.35","","4.141","","90","","90","","120","","67.86","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Calcium silver germanide (1/0.6/1.4)","","- Ag0.6 Ca Ge1.4 -","- Ag0.6 Ca Ge1.4 -","- Ag0.6 Ca Ge1.4 -","1","0.0416667","","Fornasini, M.L.; Pani, M.; Merlo, F.","RMX compounds formed by alkaline earths, europium and ytterbium. IV: ternary phases with M = Ag and X =Si, Ge, Sn, Pb","Journal of Alloys Compd.","1996","232","","289","295","10.1016/0925-8388(95)01952-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509053","4.439","","4.439","","4.443","","90","","90","","120","","75.819","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Strontium silver germanide (1/0.89/1.11)","","- Ag0.89 Ge1.11 Sr -","- Ag0.89 Ge1.11 Sr -","- Ag0.89 Ge1.11 Sr -","1","0.0416667","","Pani, M.; Fornasini, M.L.; Merlo, F.","RMX compounds formed by alkaline earths, europium and ytterbium. IV: ternary phases with M = Ag and X =Si, Ge, Sn, Pb","Journal of Alloys Compd.","1996","232","","289","295","10.1016/0925-8388(95)01952-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509110","8.304","","8.304","","8.643","","90","","90","","120","","516.143","","","","","","","","","","","","","3","P -6 m 2","P -6 2","187","","Calcium silver silicide (1/0.4/1.41)","","- Ag0.4 Ca Si1.405 -","- Ag0.4 Ca Si1.405 -","- Ag3.2 Ca8 Si11.24 -","8","0.666667","","Fornasini, M.L.; Merlo, F.; Pani, M.","RMX compounds formed by alkaline earths, europium and ytterbium. IV: ternary phases with M = Ag and X =Si, Ge, Sn, Pb","Journal of Alloys Compd.","1996","232","","289","295","10.1016/0925-8388(95)01952-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509164","4.563","","7.18","","7.866","","90","","90","","90","","257.709","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Ca Ag Ge","","- Ag Ca Ge -","- Ag Ca Ge -","- Ag4 Ca4 Ge4 -","4","0.25","","Fornasini, M.L.; Merlo, F.; Pani, M.","RMX compounds formed by alkaline earths, europium and ytterbium. IV: ternary phases with M = Ag and X =Si, Ge, Sn, Pb","Journal of Alloys Compd.","1996","232","","289","295","10.1016/0925-8388(95)01952-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509181","10.48","","10.48","","8.326","","90","","90","","120","","791.935","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Ag Cd3 Hf3 F20","","- Ag Cd3 F20 Hf3 -","- Ag Cd3 F20 Hf3 -","- Ag2 Cd6 F40 Hf6 -","2","0.166667","","Graudejus, O.; Mueller, B.G.","Ag2+ in trigonal-bipyramidaler Umgebung: Neue Fluoride mit zweiwertigem Silber: Ag M(II)3 M(IV)3 F20 (M(II) = Cd, Ca, Hg; M(IV) = Zr, Hf)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","1549","1556","10.1002/zaac.19966220918","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509182","10.52","","10.52","","8.286","","90","","90","","120","","794.158","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Ag Cd3 Zr3 F20","","- Ag Cd3 F20 Zr3 -","- Ag Cd3 F20 Zr3 -","- Ag2 Cd6 F40 Zr6 -","2","0.166667","","Mueller, B.G.; Graudejus, O.","Ag2+ in trigonal-bipyramidaler Umgebung: Neue Fluoride mit zweiwertigem Silber: Ag M(II)3 M(IV)3 F20 (M(II) = Cd, Ca, Hg; M(IV) = Zr, Hf)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","1549","1556","10.1002/zaac.19966220918","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509297","7.1056","","7.1056","","4.196","","90","","90","","120","","183.471","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Dy Ag Ge","","- Ag Dy Ge -","- Ag Dy Ge -","- Ag3 Dy3 Ge3 -","3","0.25","","Ziebeck, K.R.A.; Gibson, B.; Kremer, R.K.; Simon, A.; Poettgen, R.","Ternary germanides Ln Ag Ge (Ln = Y, Sm, Gd - Lu) with ordered Fe2 P - type structure","Journal of Alloys Compd.","1996","239","","34","40","10.1016/0925-8388(96)02201-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509305","7.0649","","7.0649","","4.1665","","90","","90","","120","","180.1","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Er Ag Ge","","- Ag Er Ge -","- Ag Er Ge -","- Ag3 Er3 Ge3 -","3","0.25","","Kremer, R.K.; Gibson, B.; Ziebeck, K.R.A.; Poettgen, R.; Simon, A.","Ternary germanides Ln Ag Ge (Ln = Y, Sm, Gd - Lu) with ordered Fe2 P - type structure","Journal of Alloys Compd.","1996","239","","34","40","10.1016/0925-8388(96)02201-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509361","7.1654","","7.1654","","4.2341","","90","","90","","120","","188.266","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Gd Ag Ge","","- Ag Gd Ge -","- Ag Gd Ge -","- Ag3 Gd3 Ge3 -","3","0.25","","Simon, A.; Poettgen, R.; Kremer, R.K.; Gibson, B.; Ziebeck, K.R.A.","Ternary germanides Ln Ag Ge (Ln = Y, Sm, Gd - Lu) with ordered Fe2 P - type structure","Journal of Alloys Compd.","1996","239","","34","40","10.1016/0925-8388(96)02201-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509370","11.064","","4.671","","14.171","","90","","98.64","","90","","724.046","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Sr Ag Ge","","- Ag Ge Sr -","- Ag Ge Sr -","- Ag10 Ge10 Sr10 -","10","1.25","","Merlo, F.; Fornasini, M.L.; Pani, M.","RMX compounds formed by alkaline earths, europium and ytterbium. IV: ternary phases with M = Ag and X =Si, Ge, Sn, Pb","Journal of Alloys Compd.","1996","232","","289","295","10.1016/0925-8388(95)01952-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509393","10.443","","10.443","","19.935","","90","","90","","120","","1882.77","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Tl2 (Ag I3)","","- Ag I3 Tl2 -","- Ag I3 Tl2 -","- Ag9 I27 Tl18 -","9","0.5","","Hoyer, M.; Hartl, H.","Die Kristallstrukturen von Tl2 Ag I3 und Na Ag I2 . 3H2 O","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","308","312","10.1002/zaac.19966220217","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509425","10.348","","10.522","","7.946","","90","","90","","90","","865.174","","","","","","","","","","","","","4","P n n 2","P 2 -2n","34","","K2 (Ag Sb S4)","","- Ag K2 S4 Sb -","- Ag K2 S4 Sb -","- Ag4 K8 S16 Sb4 -","4","1","","Schimek, G.L.; Wood, P.T.; Pennington, W.T.; Kolis, J.W.","Supercritical ammonia synthesis and characterization of four new alkali metal silver antimony sulfides: M Ag2 Sb S4 and M2 Ag Sb S4 (M=K, Rb)","Journal of Solid State Chemistry","1996","123","","277","284","10.1006/jssc.1996.0179","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509426","5.807","","12.939","","22.296","","90","","90","","90","","1675.25","","","","","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","K2 (Ag V S4)","","- Ag K2 S4 V -","- Ag K2 S4 V -","- Ag8 K16 S32 V8 -","8","0.25","","Duerichen, P.; Bensch, W.","Crystal structure and preparation of K2 Ag V S4 and Rb2 Ag V S4 by using the molten flux method: Low-dimensional materials with infinite metal-ion-centered tetrahedra chains","Chemische Berichte","1996","129","","1207","1210","10.1002/cber.19961291011","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509497","18.106","","3.5787","","8.043","","90","","104.44","","90","","504.69","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Ag (V O3)","","- Ag O3 V -","- Ag O3 V -","- Ag8 O24 V8 -","8","1","","Savariault, J.M.; Rozier, P.; Galy, J.","beta Ag V O3 crystal structure and relationships with Ag2 V4 O11 and delta Agx V2 O5","Journal of Solid State Chemistry","1996","122","","303","308","10.1006/jssc.1996.0117","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509502","12.72","","6.305","","10.728","","90","","90","","90","","860.381","","","","","","","","","","","","","4","P n a n","-P 2n 2bc","52","","Ag Sb O (Si O4)","","- Ag O5 Sb Si -","- Ag O5 Sb Si -","- Ag8 O40 Sb8 Si8 -","8","1","","Mill', B.V.; Belokoneva, E.L.","X-ray structural investigation of the redistribution of silver ionsin ion-conducting channels of Ag Sb O Si O4 after annealing at various temperatures","Zhurnal Neorganicheskoi Khimii","1996","41","","739","746","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1509518","8.229","","10.857","","10.346","","90","","91.55","","90","","923.997","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Rb2 (Ag Sb S4)","","- Ag Rb2 S4 Sb -","- Ag Rb2 S4 Sb -","- Ag4 Rb8 S16 Sb4 -","4","1","","Kolis, J.W.; Schimek, G.L.; Pennington, W.T.; Wood, P.T.","Supercritical ammonia synthesis and characterization of four new alkali metal silver antimony sulfides: M Ag2 Sb S4 and M2 Ag Sb S4 (M=K, Rb)","Journal of Solid State Chemistry","1996","123","","277","284","10.1006/jssc.1996.0179","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1509519","5.82","","13.359","","23.184","","90","","90","","90","","1802.54","","","","","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","Rb2 (Ag V S4)","","- Ag Rb2 S4 V -","- Ag Rb2 S4 V -","- Ag8 Rb16 S32 V8 -","8","0.25","","Bensch, W.; Duerichen, P.","Crystal structure and preparation of K2 Ag V S4 and Rb2 Ag V S4 by using the molten flux method: Low-dimensional materials with infinite metal-ion-centered tetrahedra chains","Chemische Berichte","1996","129","","1207","1210","10.1002/cber.19961291011","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509590","8.612","","14.917","","19.633","","90","","90","","90","","2522.16","","","","","","","","","","","","","3","C 2 2 2","C 2 2","21","","Ba2 Ag1.346 Si1.886","","- Ag1.346 Ba2 Si1.886 -","- Ag1.3465 Ba2 Si1.886 -","- Ag21.544 Ba32 Si30.176 -","16","2","","Fornasini, M.L.; Merlo, F.; Pani, M.","RMX compounds formed by alkaline earths, europium and ytterbium. IV: ternary phases with M = Ag and X =Si, Ge, Sn, Pb","Journal of Alloys Compd.","1996","232","","289","295","10.1016/0925-8388(95)01952-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509659","6.886","","6.886","","8.438","","90","","90","","90","","400.105","","","","","","","","","","","","","4","I -4 2 m","I -4 2","121","","K (Ag2 Sb S4)","","- Ag2 K S4 Sb -","- Ag2 K S4 Sb -","- Ag4 K2 S8 Sb2 -","2","0.125","","Pennington, W.T.; Schimek, G.L.; Wood, P.T.; Kolis, J.W.","Supercritical ammonia synthesis and characterization of four new alkali metal silver antimony sulfides: M Ag2 Sb S4 and M2 Ag Sb S4 (M= K, Rb)","Journal of Solid State Chemistry","1996","123","","277","284","10.1006/jssc.1996.0179","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509707","6.63","","6.63","","16.7","","90","","90","","120","","635.732","","","","","","","","","","","","","4","P 32 2 1","P 32 2""","154","","Rb (Ag2 Sb S4)","","- Ag2 Rb S4 Sb -","- Ag2 Rb S4 Sb -","- Ag6 Rb3 S12 Sb3 -","3","0.5","","Schimek, G.L.; Kolis, J.W.; Wood, P.T.; Pennington, W.T.","Supercritical ammonia synthesis and characterization of four new alkali metal silver antimony sulfides: M Ag2 Sb S4 and M2 Ag Sb S4 (M= K, Rb)","Journal of Solid State Chemistry","1996","123","","277","284","10.1006/jssc.1996.0179","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509783","12.599","","12.607","","14.067","","90","","90","","90","","2234.34","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K5 (Ag2 As3 Se9)","","- Ag2 As3 K5 Se9 -","- Ag2 As3 K5 Se9 -","- Ag8 As12 K20 Se36 -","4","0.5","","Chou Junhong; Kanatzidis, M.G.","Isolation of beta-Ag3 As Se3, (Me3 N H) (Ag3 As2 Se5), K5 Ag2 As3 Se9, and K Ag3 As2 S5 : novel solid state silver thio- and selenoarsenates from solvento-thermal synthesis","Journal of Solid State Chemistry","1996","127","","186","201","10.1006/jssc.1996.0375","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509821","6.616","0.003","8.214","0.002","33.03","0.03","90","","90","","90","","1795","1.9","298","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cu N2 O5 -","- C18 H18 Cu N2 O5 -","- C72 H72 Cu4 N8 O20 -","4","1","","Angel García-Raso; Juan J. Fiol; Ferrán Bádenas; Miguel Quirós","X-ray Diffraction Structures of Two N-Salicylidine Tryptophanato Diaquocopper(II) Complexes: Erythro and Threo Isomers","Polyhedron","1996","15","","4407","4413","10.1016/0277-5387(96)00212-4","","","0.71073","MoKα","","","0.074","","","","0.07","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509822","6.15","0.002","9.426","0.002","28.448","0.004","90","","90","","90","","1649.1","0.7","298","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cu N2 O5 -","- C18 H18 Cu N2 O5 -","- C72 H72 Cu4 N8 O20 -","4","1","","Angel García-Raso; Juan J. Fiol; Ferrán Bádenas; Miguel Quirós","X-ray Diffraction Structures of Two N-Salicylidine Tryptophanato Diaquocopper(II) Complexes: Erythro and Threo Isomers","Polyhedron","1996","15","","4407","4413","10.1016/0277-5387(96)00212-4","","","0.71073","MoKα","","","0.057","","","","0.055","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509845","8.111","","11.344","","20.728","","90","","90","","90","","1907.21","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ag3 (As Se3)","","- Ag3 As Se3 -","- Ag3 As Se3 -","- Ag36 As12 Se36 -","12","1.5","","Chou Junhong; Kanatzidis, M.G.","Isolation of beta-Ag3 As Se3, (Me3 N H) (Ag3 As2 Se5), K5 Ag2 As3 Se9, and K Ag3 As2 S5 : novel solid state silver thio- and selenoarsenates from solvento-thermal synthesis","Journal of Solid State Chemistry","1996","127","","186","201","10.1006/jssc.1996.0375","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509856","19.21","","16.867","","6.3491","","90","","90","","90","","2057.2","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K (Ag3 As2 S5)","","- Ag3 As2 K S5 -","- Ag3 As2 K S5 -","- Ag24 As16 K8 S40 -","8","1","","Kanatzidis, M.G.; Chou Junhong","Isolation of beta-Ag3 As Se3, (Me3 N H) (Ag3 As2 Se5), K5 Ag2 As3 Se9, and K Ag3 As2 S5 : novel solid state silver thio- and selenoarsenates from solvento-thermal synthesis","Journal of Solid State Chemistry","1996","127","","186","201","10.1006/jssc.1996.0375","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509869","14.283","","5.692","","8.777","","90","","90","","90","","713.56","","","","","","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- Ag4 Bi2 O5 -","- Ag4 Bi2 O5 -","- Ag16 Bi8 O20 -","4","0.5","","Deibele, S.; Jansen, M.","Ag4 Bi2 O5 - ein neues Silberbismutat(III)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","539","542","10.1002/zaac.19966220325","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509897","13.456","","13.456","","16.9169","","90","","90","","120","","2652.67","","","","","","","","","","","","","2","P -6 2 m","P -6 -2","189","","","","- Ag4.53 Te3 -","- Ag4.53429 Te3 -","- Ag63.48 Te42 -","14","1.16667","","Peters, J.; Krebs, B.; Conrad, O.; Bremer, B.","Die Kristallstruktur des synthetischen Stuetzits, Ag5-x Te3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","1823","1832","10.1002/zaac.19966221105","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509941","5.3713","","9.9835","","16.2249","","90","","90.904","","90","","869.942","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Ag6 (Ge2 O7)","","- Ag6 Ge2 O7 -","- Ag6 Ge2 O7 -","- Ag24 Ge8 O28 -","4","2","","Linke, C.; Jansen, M.","Die Tieftemperaturmmodifikationen von Ag6 Si2 O7 und Ag6 Ge2 O7 Darstellung, Kristallstrukturen und Vergleich der Ag-Ag Abstaende","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","486","493","10.1002/zaac.19966220317","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509947","5.3043","","9.7533","","15.9283","","90","","91.165","","90","","823.871","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Ag6 (Si2 O7)","","- Ag6 O7 Si2 -","- Ag6 O7 Si2 -","- Ag24 O28 Si8 -","4","2","","Jansen, M.; Linke, C.","Die Tieftemperaturmmodifikationen von Ag6 Si2 O7 und Ag6 Ge2 O7 Darstellung, Kristallstrukturen und Vergleich der Ag-Ag Abstaende","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","486","493","10.1002/zaac.19966220317","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509969","7.453","","7.4026","","10.5401","","90","","90.069","","90","","581.514","","","","","","","","","","","","","3","P 1 n 1","P -2yac","7","","Ag7 (Ta S6)","","- Ag7 S6 Ta -","- Ag7 S6 Ta -","- Ag14 S12 Ta2 -","2","1","","Ishii, M.; Wada, H.; Onoda, M.","Crystal structure model of a low-temperature phase (phase II) of argyrodite-family Ag7 Ta S6","Solid State Ionics","1996","86","","217","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1509987","10.628","","10.628","","10.628","","90","","90","","90","","1200.48","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Ag8 Ti S6","","- Ag8 S6 Ti -","- Ag8.016 S6 Ti -","- Ag32.064 S24 Ti4 -","4","0.0416667","","Onoda, M.; Tansho, M.; Ishii, M.; Wada, H.; Sato, A.","Preparation, crystal structure and silver ionic conductivity of the new compound Ag8 Ti S6","Solid State Ionics","1996","86","","159","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510001","24.922","","24.922","","24.922","","90","","90","","90","","15479.2","","","","","","","","","","","","","4","F d -3 :2","-F 2uv 2vw 3","203","","Ag92 (Al92 Si100 O384)","","- Ag92 Al92 O384 Si100 -","- Ag91.9968 Al91.9968 O384 Si100.003 -","- Ag91.9968 Al91.9968 O384 Si100.003 -","1","0.0104167","","Jeong, M.S.; Kim, Y.; Jang, S.B.; Song, S.H.; Park, S.Y.","Two crystal structures of the vacuum-dehydrated fully Ag(+)-exchanged zeolite X","Journal of the Korean Chemical Society","1996","40","","474","482","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510054","4.0482","","4.0482","","7.9638","","90","","90","","90","","130.51","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Sn.976 Au.024 F4","","- Au0.024 F4 Sn0.976 -","- Au0.024 F4 Sn0.976 -","- Au0.048 F8 Sn1.952 -","2","0.0625","","Hofstaetter, A.; Scharmann, A.; Wagner, F.E.; Hoppe, R.; Bork, M.","Ein gruenes, paramagnetisches Goldfluorid - Sn(1-x) Au(x) F4?","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","1721","1728","10.1002/zaac.19966221016","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510083","4.4603","","4.4603","","7.936","","90","","90","","120","","136.729","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Ce Au Ge","","- Au Ce Ge -","- Au Ce Ge -","- Au2 Ce2 Ge2 -","2","0.166667","","Poettgen, R.; Borrmann, H.; Kremer, R.K.","Ferromagnetic ordering in Ce Au Ge","Journal of Magnetism and Magnetic Materials","1996","152","","196","200","10.1016/0304-8853(95)00430-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510148","7.759","","7.759","","7.117","","90","","90","","120","","371.056","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","(O2) (Au F6)","","- Au F6 O2 -","- Au F6 O1.9998 -","- Au3 F18 O5.9994 -","3","0.166667","","Graudejus, O.; Mueller, B.G.","Zur Kristallstruktur von (O2)+ (M F6)- (M= Sb, Ru, Pt, Au)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","1076","1082","10.1002/zaac.19966220623","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510166","4.3775","","4.3775","","7.1138","","90","","90","","120","","118.055","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Lu Au Ge","","- Au Ge Lu -","- Au Ge Lu -","- Au2 Ge2 Lu2 -","2","0.166667","","Poettgen, R.; Henn, R.W.; Simon, A.; Felser, C.; Borrmann, H.; Kremer, R.K.; Jepsen, O.","Crystal and electronic structures of Sc Au Ge, Ce Au Ge, and Lu Au Ge: a transition from two- to three-dimensional (Au Ge) polyanions","Journal of Alloys Compd.","1996","235","","170","175","10.1016/0925-8388(95)02069-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510167","4.422","","7.238","","7.531","","90","","90","","90","","241.04","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","Na Au Ge","","- Au Ge Na -","- Au Ge Na -","- Au4 Ge4 Na4 -","4","0.5","","Zachwieja, U.","Na Au Ge, ein weiteres ternaeres Aurid mit ethan-analogen Ge2 Au6-Baueinheiten","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","1173","1176","10.1002/zaac.19966220711","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510169","4.3082","","4.3082","","6.8458","","90","","90","","120","","110.039","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Sc Au Ge","","- Au Ge Sc -","- Au Ge Sc -","- Au2 Ge2 Sc2 -","2","0.166667","","Jepsen, O.; Poettgen, R.; Simon, A.; Kremer, R.K.; Felser, C.; Henn, R.W.; Borrmann, H.","Crystal and electronic structures of Sc Au Ge, Ce Au Ge, and Lu Au Ge: a transition from two- to three-dimensional (Au Ge) polyanions","Journal of Alloys Compd.","1996","235","","170","175","10.1016/0925-8388(95)02069-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510213","4.436","","4.436","","10.432","","90","","90","","90","","205.282","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","La Au Sb2","","- Au La Sb2 -","- Au1.001 La Sb2 -","- Au2.002 La2 Sb4 -","2","0.125","","Brylak, M.; Dietrich, L.H.; Wollesen, P.; Jeitschko, W.","Ternary antimonides Ln M1-x Sb2 with Ln = La - Nd, Sm, Gd, Tb and M= Mn, Co, Au, Zn, Cd","Journal of Alloys Compd.","1996","245","","5","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510366","5.889","","8.847","","34.674","","90","","90","","90","","1806.52","","","","","","","","","","","","","3","P c a b","-P 2bc 2ac","61","","Bi4 (Au2 O9)","","- Au2 Bi4 O9 -","- Au2 Bi4 O9 -","- Au16 Bi32 O72 -","8","1","","Geb, J.; Jansen, M.","Bi2 Au O5 and Bi4 Au2 O9, two novel ternary oxoaurates","Journal of Solid State Chemistry","1996","122","","364","370","10.1006/jssc.1996.0128","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1510392","15.607","","15.607","","15.607","","90","","90","","90","","3801.53","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","(Na16 Rb6) (Na0.3 Au0.7) Sb7","","- Au0.7 Na16.3 Rb6 Sb7 -","- Au0.72 Na16.3 Rb6 Sb7 -","- Au2.88 Na65.2 Rb24 Sb28 -","4","0.0208333","","Peters, K.; von Schnering, H.G.; Gil, R.H.C.; Caroca-Canales, N.; Hoenle, W.","Die kubischen Phasen Na16 (A Rb6) Sb7, Verbindungen mit den Anionen A = Rb-, Na-, Au-, I-","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","112","122","10.1002/zaac.19966220117","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510489","6.192","","6.192","","5.08","","90","","90","","120","","168.677","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cs (Au3 S2)","","- Au3 Cs S2 -","- Au3 Cs S2 -","- Au3 Cs S2 -","1","0.0833333","","Weithaler, C.; Klepp, K.O.","The crystal structures of Cs Au3 S2, Rb Au3 S2 and Cs Au3 Se2 and their relationship to the Cs Cu3 S2 structure type","Journal of Alloys Compd.","1996","243","","1","5","10.1016/S0925-8388(96)02360-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510490","6.281","","6.281","","5.205","","90","","90","","120","","177.832","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cs (Au3 Se2)","","- Au3 Cs Se2 -","- Au3 Cs Se2 -","- Au3 Cs Se2 -","1","0.0833333","","Weithaler, C.; Klepp, K.O.","The crystal structures of Cs Au3 S2, Rb Au3 S2 and Cs Au3 Se2 and their relationship to the Cs Cu3 S2 structure type","Journal of Alloys Compd.","1996","243","","1","5","10.1016/S0925-8388(96)02360-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510495","10.562","","10.562","","16.337","","90","","90","","120","","1578.32","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","La (Au F4)3","","- Au3 F12 La -","- Au3 F12 La -","- Au18 F72 La6 -","6","0.166667","","Graudejus, O.; Mueller, B.G.","Zur Kristallstruktur von La(AuF4)3, dem Anfangsglied der Reihe M (Au F4)(3-x) F(x) (x = 0, 0,5 und 1)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","187","190","10.1002/zaac.19966220127","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510501","6.288","","6.288","","21.617","","90","","90","","120","","740.203","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","K1.74 Rb0.26 Rb Au3 Sb2","","- Au3 K1.74 Rb1.26 Sb2 -","- Au3 K1.74 Rb1.26 Sb2 -","- Au9 K5.22 Rb3.78 Sb6 -","3","0.0833333","","Zachwieja, U.; Mueller, J.","Verbindungen in den Systemen Kalium(Rubidium)/Gold/Antimon: K3 Au3 Sb2, Rb3 Au3 Sb2 und K1.74 Rb0.26 Rb Au3 Sb2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","635","639","10.1002/zaac.19966220411","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510504","6.198","","6.198","","21.52","","90","","90","","120","","715.939","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","K3 Au3 Sb2","","- Au3 K3 Sb2 -","- Au3 K3 Sb2 -","- Au9 K9 Sb6 -","3","0.0833333","","Mueller, J.; Zachwieja, U.","Verbindungen in den Systemen Kalium(Rubidium)/Gold/Antimon: K3 Au3 Sb2, Rb3 Au3 Sb2 und K1.74 Rb0.26 Rb Au3 Sb2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","635","639","10.1002/zaac.19966220411","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510509","6.112","","6.112","","5.224","","90","","90","","120","","169.005","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Rb (Au3 Se2)","","- Au3 Rb Se2 -","- Au3 Rb Se2 -","- Au3 Rb Se2 -","1","0.0833333","","Klepp, K.O.; Weithaler, C.","The crystal structures of Cs Au3 S2, Rb Au3 S2 and Cs Au3 Se2 and their relationship to the Cs Cu3 S2 structure type","Journal of Alloys Compd.","1996","243","","1","5","10.1016/S0925-8388(96)02360-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510512","6.443","","6.443","","21.69","","90","","90","","120","","779.77","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Rb3 Au3 Sb2","","- Au3 Rb3 Sb2 -","- Au3 Rb3 Sb2 -","- Au9 Rb9 Sb6 -","3","0.0833333","","Mueller, J.; Zachwieja, U.","Verbindungen in den Systemen Kalium(Rubidium)/Gold/Antimon: K3 Au3 Sb2, Rb3 Au3 Sb2 und K1.74 Rb0.26 Rb Au3 Sb2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","635","639","10.1002/zaac.19966220411","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510578","10.243","","10.243","","5.29","","90","","90","","120","","480.663","","","","","","","","","","","","","3","P 3 1 m","P 3 -2","157","","Cs4 (Au6 S5)","","- Au6 Cs4 S5 -","- Au6 Cs4 S5 -","- Au6 Cs4 S5 -","1","0.166667","","Weithaler, C.; Klepp, K.O.","Preparation and crystal structures of the new gold rich thioauratesRb4 Au6 S5 and Cs4 Au6 S5","Journal of Alloys Compd.","1996","243","","12","18","10.1016/S0925-8388(96)02362-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510581","9.983","","9.983","","9.95","","90","","90","","120","","858.768","","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","Rb4 (Au6 S5)","","- Au6 Rb4 S5 -","- Au6 Rb4 S5 -","- Au12 Rb8 S10 -","2","0.166667","","Weithaler, C.; Klepp, K.O.","Preparation and crystal structures of the new gold rich thioaurates Rb4 Au6 S5 and Cs4 Au6 S5","Journal of Alloys Compd.","1996","243","","12","18","10.1016/S0925-8388(96)02362-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510605","8.6703","","8.6703","","6.0301","","90","","90","","90","","453.307","","","","","","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","Bi2 (Au O5)","","- Au Bi2 O5 -","- Au Bi2 O5 -","- Au4 Bi8 O20 -","4","0.25","","Jansen, M.; Geb, J.","Bi2 Au O5 and Bi4 Au2 O9, two novel ternary oxoaurates","Journal of Solid State Chemistry","1996","122","","364","370","10.1006/jssc.1996.0128","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510616","24.652","0.006","8.269","0.002","13.319","0.003","90","","116.15","0.02","90","","2437.1","1.1","293","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H12 Cd N4 O6 S -","- C7 H12 Cd N4 O6 S -","- C56 H96 Cd8 N32 O48 S8 -","8","1","","Abderrahman Rahmani; M. Angustias Romero; Juan M. Salas; Miguel Quirós; Gerardo Álvarez de Cienfuegos","A New Example of μ-3-Sulfato Coordination in a Cd(II) Complex of 5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidine (dmtp). Characterisation and Biological Activity of Several Metal Complexes of dmtp Containing the Sulfato Anion","Inorganica Chimica Acta","1996","247","","51","55","10.1016/0020-1693(95)04829-4","","","0.71073","MoKα","","","0.026","","","","0.06","","","","","","0.58","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510730","6.5897","","6.5897","","5.5919","","90","","90","","120","","210.291","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Sn5 Ir6 B2","","- B2 Ir6 Sn5 -","- B2 Ir6 Sn5 -","- B2 Ir6 Sn5 -","1","0.0833333","","Kluenter, W.; Jung, W.","Sn5 Ir6 B2 und Sn4 Ir7 B3: Zinn-Iridiumboride mit eindimensionalen Ir/B-Verbaenden","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","670","674","10.1002/zaac.19966220416","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510765","3.0049","","3.0049","","3.1728","","90","","90","","120","","24.81","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Mo B2","","- B2 Mo -","- B2 Mo -","- B2 Mo -","1","0.0416667","","Aselage, T.L.; Klesnar, H.; Lawson, A.C.jr.; Kwei, G.H.; Morosin, B.","The diboride compounds of molybdenum: Mo B2-x and Mo2 B5-y","Journal of Alloys Compd.","1996","241","","180","186","10.1016/0925-8388(96)02294-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510817","6.548","","6.548","","5.5732","","90","","90","","120","","206.944","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Sn5 Rh6 B2","","- B2 Rh6 Sn5 -","- B2 Rh6 Sn5 -","- B2 Rh6 Sn5 -","1","0.0833333","","Jung, W.; Kluenter, W.","Die Zinn-Rhodiumboride Sn Rh3 B1-x, Sn4 Rh6 B und Sn5 Rh6 B2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","2099","2106","10.1002/zaac.19966221218","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510862","3.118","","17.897","","14.585","","90","","90","","90","","813.885","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","U5 Mo10 B24","","- B24 Mo10 U5 -","- B24 Mo10 U5 -","- B48 Mo20 U10 -","2","0.25","","Konrad, T.; Jeitschko, W.","U5 Mo10 B24, a boride containing three different kinds of boron polyanions","Journal of Alloys Compd.","1996","233","","3","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510919","9.2663","","9.2663","","5.6319","","90","","90","","120","","418.792","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Sn4 Ir7 B3","","- B3 Ir7 Sn4 -","- B3 Ir7 Sn4 -","- B6 Ir14 Sn8 -","2","0.166667","","Jung, W.; Kluenter, W.","Sn5 Ir6 B2 und Sn4 Ir7 B3: Zinn-Iridiumboride mit eindimensionalen Ir/B-Verbaenden","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","670","674","10.1002/zaac.19966220416","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510935","5.2646","","5.2646","","6.121","","90","","90","","120","","146.921","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Mo0.91 B3","","- B3 Mo0.91 -","- B3 Mo0.91 -","- B12 Mo3.64 -","4","0.166667","","Aselage, T.L.; Morosin, B.; Kwei, G.H.; Lawson, A.C.jr.; Klesnar, H.","The diboride compounds of molybdenum: Mo B2-x and Mo2 B5-y","Journal of Alloys Compd.","1996","241","","180","186","10.1016/0925-8388(96)02294-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511015","4.6092","","4.6092","","2.9673","","90","","90","","90","","63.039","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Ti B0.024 O2","","- B0.024 O2 Ti -","- O2 Ti -","- O4 Ti2 -","2","0.125","","Li, C.; Bursill, L.A.; Grey, I.E.; MacRae, C.M.","Boron incorporation into rutile. Phase equilibria and structure considerations","Journal of Solid State Chemistry","1996","127","","240","247","10.1006/jssc.1996.0380","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511206","6.838","","6.838","","6.773","","90","","90","","120","","274.265","","","","","","","","","","","","","4","P 31","P 31","144","","La (B Si O5)","","- B La O5 Si -","- B La O5 Si -","- B3 La3 O15 Si3 -","3","1","","Shuvaeva, V.A.; Belokoneva, E.L.; Leonyuk, N.I.; Antipin, M.Yu.","Crystal structure of a high-temperature modification of La B Si O5, a synthetic analog of stillwellite","Zhurnal Neorganicheskoi Khimii","1996","41","","1097","1101","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511221","7.557","","9.083","","7.049","","90","","90","","90","","483.845","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li Sr (B S3)","","- B Li S3 Sr -","- B Li S3 Sr -","- B4 Li4 S12 Sr4 -","4","0.5","","Hiltmann, F.; Jansen, C.; Krebs, B.","Li3BS3 und LiSRBS3: Neue Orthothioborate mit trigonal-planar koordiniertem Bor","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","1508","1514","10.1002/zaac.19966220912","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511321","5.6001","","5.6001","","13.675","","90","","90","","120","","371.407","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Sn4 Rh6 B","","- B Rh6 Sn4 -","- B Rh6 Sn4 -","- B2 Rh12 Sn8 -","2","0.0833333","","Jung, W.; Kluenter, W.","Die Zinn-Rhodiumboride Sn Rh3 B1-x, Sn4 Rh6 B und Sn5 Rh6 B2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","2099","2106","10.1002/zaac.19966221218","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511328","5.7031","","5.7031","","8.3599","","90","","90","","90","","271.909","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Sn Rh3 B0.81","","- B0.81 Rh3 Sn -","- B0.81 Rh3 Sn -","- B3.24 Rh12 Sn4 -","4","0.25","","Kluenter, W.; Jung, W.","Die Zinn-Rhodiumboride Sn Rh3 B1-x, Sn4 Rh6 B und Sn5 Rh6 B2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","2099","2106","10.1002/zaac.19966221218","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511372","10.919","","13.59","","16.423","","90","","90.48","","90","","2436.91","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Li2.55 Sr2.27 (B10 S19)","","- B10 Li2.55 S19 Sr2.27 -","- B10 Li2.55 S19 Sr2.268 -","- B40 Li10.2 S76 Sr9.072 -","4","1","","Hiltmann, F.; zum Hecht, P.; Krebs, B.; Hammerschmidt, A.","Darstellung und Kristallstrukturen von Li(4-2x) Sr(2+x) B10 S19 (x = 0,27) und Na6 B10 S18. Zwei neue Thioborate mit hochpolymeren Makrotetraeder-Nertzwerken","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","76","84","10.1002/zaac.19966220112","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511375","14.415","","14.415","","26.137","","90","","90","","90","","5431.06","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","Na6 (B10 S18)","","- B10 Na6 S18 -","- B10 Na6 S18 -","- B80 Na48 S144 -","8","0.25","","Krebs, B.; Hiltmann, F.; Hammerschmidt, A.; zum Hecht, P.","Darstellung und Kristallstrukturen von Li(4-2x) Sr(2+x) B10 S19 (x = 0,27) und Na6 B10 S18. Zwei neue Thioborate mit hochpolymeren Makrotetraeder-Nertzwerken","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","76","84","10.1002/zaac.19966220112","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511396","6.839","","6.839","","6.782","","90","","90","","120","","274.709","","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","La (B0.95 Si O4.93)","","- B0.95 La O4.93 Si -","- B0.95 La O4.93 Si -","- B2.85 La3 O14.79 Si3 -","3","0.5","","Kajitani, T.; Takayama, K.; Ono, Y.","X-ray diffraction study of La B Si O5","Journal of the Physical Society of Japan","1996","65","","3224","3228","10.1143/JPSJ.65.3224","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511521","3.0099","","3.0099","","20.927","","90","","90","","120","","164.188","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Mo2 B4.026","","- B4.026 Mo2 -","- B4.026 Mo2 -","- B12.078 Mo6 -","3","0.0833333","","Kwei, G.H.; Morosin, B.; Lawson, A.C.jr.; Klesnar, H.; Aselage, T.L.","The diboride compounds of molybdenum: Mo B2-x and Mo2 B5-y","Journal of Alloys Compd.","1996","241","","180","186","10.1016/0925-8388(96)02294-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511543","18.2559","","4.2942","","19.253","","90","","118.07","","90","","1331.79","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","La4 B4 Br5","","- B4 Br5 La4 -","- B4 Br5 La4 -","- B16 Br20 La16 -","4","0.5","","Simon, A.; Mattausch, H.J.","","Astracts, ISBB 96, Baden, Austria","1996","1996","","1","1","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511595","3.158","","6.591","","8.364","","90","","90","","90","","174.091","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Th Cr2 B6","","- B6 Cr2 Th -","- B6 Cr2 Th -","- B12 Cr4 Th2 -","2","0.125","","Evers, C.B.H.; Danebrock, M.E.; Jeitschko, W.; Konrad, T.","Preparation, properties and crystal structures of the thorium chromium borides Th Cr B4 and Th Cr2 B6; structure refinements of Ce Cr2 B6, Th B4 and Th B6","Journal of Alloys Compd.","1996","234","","56","61","10.1016/0925-8388(95)01993-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511626","6.013","","11.619","","3.626","","90","","90","","90","","253.331","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Ce Re B4","","- B4 Ce Re -","- B4 Ce Re -","- B16 Ce4 Re4 -","4","0.5","","Mikhalenko, S.I.; Chaban, N.F.; Kuz'ma, Yu.B.","New compounds with the Y Cr B4 structure","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1996","32","","44","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511649","4.0931","","4.0931","","4.0931","","90","","90","","90","","68.574","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Th B6","","- B6 Th -","- B6 Th -","- B6 Th -","1","0.0208333","","Jeitschko, W.; Konrad, T.; Evers, C.B.H.; Danebrock, M.E.","Preparation, properties and crystal structures of the thorium chromium borides Th Cr B4 and Th Cr2 B6; structure refinements of Ce Cr2 B6, Th B4 and Th B6","Journal of Alloys Compd.","1996","234","","56","61","10.1016/0925-8388(95)01993-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511694","6.92","","12.923","","14.571","","90","","99.41","","90","","1285.51","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","La26 (B O3)8 O27","","- B8 La26 O51 -","- B8 La26 O51 -","- B8 La26 O51 -","1","0.25","","Su, M.Z.; Lin, J.-H.; Wurst, K.; Schweda, E.","The structure of La26 (B O3)8 O27 : a structure with a distorted fluorite type arrangement of atoms","Journal of Solid State Chemistry","1996","126","","287","291","10.1006/jssc.1996.0339","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511722","6.057","","11.712","","3.64","","90","","90","","90","","258.22","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Th Cr B4","","- B4 Cr Th -","- B4 Cr Th -","- B16 Cr4 Th4 -","4","0.5","","Evers, C.B.H.; Konrad, T.; Jeitschko, W.; Danebrock, M.E.","Preparation, properties and crystal structures of the thorium chromium borides Th Cr B4 and Th Cr2 B6; structure refinements of Ce Cr2 B6, Th B4 and Th B6","Journal of Alloys Compd.","1996","234","","56","61","10.1016/0925-8388(95)01993-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511747","19.246","","4.342","","10.283","","90","","108.28","","90","","815.945","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","La4 B4 I5","","- B4 I5 La4 -","- B4 I5 La4 -","- B8 I10 La8 -","2","0.25","","Mattausch, H.J.; Simon, A.","Lanthanum boride iodide","Private Communication","1996","1996","","1","1","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511756","7.727","","9.84","","12.046","","90","","105.42","","90","","882.932","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","La Sc3 (B O3)4","","- B4 La O12 Sc3 -","- B4 La O12 Sc3 -","- B16 La4 O48 Sc12 -","4","0.5","","Kuz'micheva, G.M.; Mukhin, B.V.; Kuz'min, O.V.; Zharikov, E.V.; Kutovoi, S.A.; Ageev, A.Yu.; Goryunov, A.V.","X-ray diffraction study of the crystals La Sc3 (B O3)4 activated with chromium and neodymium ions","Zhurnal Neorganicheskoi Khimii","1996","41","","1605","1611","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511761","5.036","0.004","9.626","0.01","8.128","0.004","74.65","0.05","88.96","0.04","84.65","0.09","378.3","0.5","292","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H14 Fe N4 O12 -","- C10 H14 Fe N4 O12 -","- C10 H14 Fe N4 O12 -","1","0.5","","Enrique J. Baran; Roberto C. Mercader; Francisco Hueso-Ureña; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Crystal Structure, Raman and 57Fe Mössbauer Spectra of the FeII Complex of Iso-orotic Acid","Polyhedron","1996","15","","1717","1721","10.1016/0277-5387(95)00402-5","","","0.71073","MoKα","","0.095","0.078","","","","0.087","","","","","","1.58","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513979","5.4387","0.0007","2.80857","0.00004","5.3878","0.0006","90","","116.006","0.003","90","","73.966","0.013","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Lithium Manganate(III)","","- Li Mn O2 -","- Li1.01 Mn0.99 O2 -","- Li2.02 Mn1.98 O4 -","2","0.25","","Armstrong, A. R.; Bruce, P. G.","Synthesis of layered Li Mn O2 as an electrode for rechargeable lithium batteries","Nature (London, United Kingdom)","1996","381","","499","500","10.1038/381499a0","","","","","","0.006","","","","","","","","","","","","","","","has coordinates","176788","2020-10-21","18:00:00",""
"1519163","16.858","0.017","15.233","0.004","17.784","0.009","90","","99.6","0.03","90","","4503","5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H51 Co N3 P3 S3 -","- C48 H51 Co N3 P3 S3 -","- C192 H204 Co4 N12 P12 S12 -","4","1","","Dilworth, Jon R.; Coles, Simon J.; Hursthouse, Michael B.","C48H51CoN3P3S3","Crystal Structure Report Archive","1996","","","1204","","","","","0.71069","MoKα","","0.2091","0.0512","","","0.0835","0.1101","","","","","","0.482","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519164","7.9894","0.0012","14.1019","0.0019","14.478","0.002","96.289","0.008","89.803","0.006","97.961","0.009","1605.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Cl4 Ni2 O2 P2 -","- C28 H26 Cl4 Ni2 O2 P2 -","- C56 H52 Cl8 Ni4 O4 P4 -","2","1","","Kelly, Dave G.; Coles, Simon J.; Hursthouse, Michael B.","C28H26Cl4Ni2O2P2","Crystal Structure Report Archive","1996","","","1205","","","","","0.71069","MoKα","","0.0963","0.0821","","","0.2449","0.2566","","","","","","1.006","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1519165","16.249","0.005","10.8064","0.001","21.254","0.005","90","","105.93","0.02","90","","3588.7","1.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Cd I4 N6 O4 -","- C26 H38 Cd I4 N6 O4 -","- C104 H152 Cd4 I16 N24 O16 -","4","1","","Kurmoo, Mohamed; Coles, Simon J.; Hursthouse, Michael B.","C26H38CdI4N6O4","Crystal Structure Report Archive","1996","","","759","","","","","0.71069","MoKα","","0.0891","0.0334","","0.0909","0.0644","","","","0.541","0.705","0.705","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519166","8.6164","0.0004","18.419","0.002","8.7071","0.0007","90","","101.283","0.011","90","","1355.2","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Fe P2 -","- C34 H28 Fe P2 -","- C68 H56 Fe2 P4 -","2","0.5","","Butler, Ian. R.; Coles, Simon J.; Hursthouse, Michael B.","C34H28FeP2","Crystal Structure Report Archive","1996","","","760","","","","","0.71069","MoKα","","0.0706","0.0457","","0.1176","0.0992","","","","0.909","1.058","1.058","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519167","9.77","0.003","18.093","0.005","19.001","0.003","90","","102.61","0.02","90","","3277.8","1.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 Cl4 Fe P2 Pd -","- C35 H28 Cl4 Fe P2 Pd -","- C140 H112 Cl16 Fe4 P8 Pd4 -","4","1","","Butler, Ian. R.; Coles, Simon J.; Hursthouse, Michael B.","C34H28Cl2FeP2Pd.CH2Cl2","Crystal Structure Report Archive","1996","","","761","","","","","0.71069","MoKα","","0.0596","0.046","","0.116","0.1056","","","","1.008","1.105","1.105","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519168","10.539","0.021","11.209","0.024","16.58","0.004","74.9","0.05","77.5","0.07","72.15","0.05","1780","5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H22 Cl2 I3 Mo N O3 P -","- C31 H22 Cl2 I3 Mo N O3 P -","- C62 H44 Cl4 I6 Mo2 N2 O6 P2 -","2","1","","Baker; Coles, Simon J.; Hursthouse, Michael B.","C31H22Cl2I3MoNO3P","Crystal Structure Report Archive","1996","","","762","","","","","0.71069","MoKα","","0.0804","0.0562","","0.1445","0.1324","","","","0.93","1.111","1.111","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519169","14.6453","0.0015","5.8392","0.0007","19.602","0.002","90","","99.978","0.007","90","","1650.9","0.3","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H10 S5 -","- C17 H10 S5 -","- C68 H40 S20 -","4","1","","Underhill, Allan E.; Coles, Simon J.; Hursthouse, Michael B.","C17H10S5","Crystal Structure Report Archive","1996","","","763","","","","","0.71069","MoKα","","0.0715","0.0424","","0.0922","0.0882","","","","0.859","1.056","1.056","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519170","9.939","0.002","11.4042","0.001","12.063","0.009","66.46","0.02","66.861","0.01","74.49","0.02","1142.7","0.9","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 Fe2 S5 -","- C25 H18 Fe2 S5 -","- C50 H36 Fe4 S10 -","2","1","","Underhill, Allan E.; Coles, Simon J.; Hursthouse, Michael B.","C25H18Fe2S5","Crystal Structure Report Archive","1996","","","764","","","","","0.71069","MoKα","","0.0408","0.0352","","0.0851","0.0827","","","","0.998","1.049","1.049","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519171","15.6","0.002","10.877","0.001","13.193","0.005","90","","90","","90","","2238.6","0.9","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C25 H20 Fe2 S5 -","- C25 H20 Fe2 S5 -","- C100 H80 Fe8 S20 -","4","0.5","","Underhill, Allan E.; Hibbs, Dai E.; Hursthouse, Michael B.","C25H20Fe2S5","Crystal Structure Report Archive","1996","","","790","","","","","0.71069","MoKα","","0.0597","0.0366","","0.064","0.0607","","","","0.975","1.092","1.092","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519172","13.958","0.003","7.246","0.0013","32.562","0.002","90","","98.7","0.02","90","","3255.4","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 F6 N O4 P -","- C11 H18 F6 N O4 P -","- C88 H144 F48 N8 O32 P8 -","8","2","","Orrell, Keith G.; Hibbs, Dai E.; Hursthouse, Michael B.; Lamond, Steven J.","C22H36F12N2O8P2","Crystal Structure Report Archive","1996","","","793","","","","","0.71069","MoKα","","0.0841","0.0549","","","0.1323","0.1409","","","","","","0.942","","","","has coordinates","188564","2020-10-21","18:00:00",""
"1519173","8.913","0.005","13.389","0.008","14.059","0.008","89.53","0.04","73.95","0.03","77.08","0.03","1569","1.6","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H54 P4 -","- C30 H54 P4 -","- C60 H108 P8 -","2","1","","Cameron, James H.; Hibbs, Dai E.; Hursthouse, Michael B.; Lamond, Steven J.","C30H54P4","Crystal Structure Report Archive","1996","","","794","","","","","0.71069","MoKα","","0.1586","0.0653","","","0.0956","0.133","","","","","","0.663","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519174","7.93","0.001","8.717","0.0006","11.655","0.001","75.19","0.008","78.74","0.009","89.93","0.007","762.9","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C36 H38 N2 O4 -","2","1","","Tebby, John C.; Hibbs, Dai E.; Hursthouse, Michael B.; Lamond, Steven J.","C18H19NO2","Crystal Structure Report Archive","1996","","","796","","","","","0.71073","MoKα","","0.0617","0.0422","","","0.0953","0.1014","","","","","","0.909","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519175","10.89","0.001","11.065","0.003","12.876","0.001","64.61","0.003","68.14","0.01","79.9","0.008","1300.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H28 O3 S -","- C31 H28 O3 S -","- C62 H56 O6 S2 -","2","1","","Hepworth, John D.; Gabbutt, Chris D.; Hibbs, Dai E.; Hursthouse, Michael B.; Lamond, Steven J.","C31H28O3S","Crystal Structure Report Archive","1996","","","797","","","","","0.71069","MoKα","","0.056","0.04","","","0.0882","0.0935","","","","","","0.908","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519176","14.307","0.0009","5.686","0.002","12.042","0.0014","90","","122.31","0.002","90","","827.9","0.3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Er H6 O6 P3 -","- Er H6 O6 P3 -","- Er4 H24 O24 P12 -","4","0.5","","Kresinski, Roman.A.; Hibbs, Dai. E.; Hursthouse, Michael B.; Lamond, Steven J.","ErH6P3O6","Crystal Structure Report Archive","1996","","","820","","","","","0.71069","MoKα","","0.0464","0.0358","","","0.0853","0.0877","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1521820","9.51","","9.51","","7.01","","90","","90","","120","","549.047","","","","","","","","","","","","","11","P 3","P 3","143","","(Na2 Ca3.55 Sr2.3 Ce1.3 La0.6 Nd0.25) (P5.8 Si0.2) O24 F1.41 (O H)0.63","","- Ca3.55 Ce1.3 F1.41 H0.63 La0.6 Na2 Nd0.25 O24.63 P5.8 Si0.2 Sr2.3 -","- Ca3.548 Ce1.299 F1.41 La0.6 Na1.999 Nd0.25 O24.63 P5.799 Si0.201 Sr2.301 -","- Ca3.548 Ce1.299 F1.41 La0.6 Na1.999 Nd0.25 O24.63 P5.799 Si0.201 Sr2.301 -","1","0.333333","","Rastsvetaeva, R.K.; Khomyakov, A.P.","Crystal structure of deloneite-(Ce), a high-order Ca-analog of belovite","Doklady Akad. Nauk","1996","349","","354","357","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526308","3.817","","3.817","","29.32999","","90","","90","","90","","427.323","","","","","","","","","","","","","7","I 4/m m m","-I 4 2","139","","(Pb0.5 Cd0.5) (Sr0.9 Ho0.1)2 (Ho0.7 Ce0.3)2 Cu2 O9","","- Cd0.5 Ce0.6 Cu2 Ho1.6 O9 Pb0.5 Sr1.8 -","- Cd0.5 Ce0.6 Cu2 Ho1.6 O9 Pb0.5 Sr1.8 -","- Cd Ce1.2 Cu4 Ho3.2 O18 Pb Sr3.6 -","2","0.0625","","Qu, B.; Qian, Y.-T.; Chen, Z.-Y.; Luo, H.-M.; Han, Y.","Synthesis, structure and electric properties of (Pb, Cd)-1222 phase","Diwen Wuli Xuebao","1996","18","","432","437","","","","","","","","","","","","","","","","","","","","","","has coordinates","147457","2020-10-21","18:00:00",""
"1534634","12.515","","11.294","","27.544","","90","","90","","90","","3893.19","","","","","","","","","","","","","6","C m m a (c,a,b)","-C 2a 2 (z,x,y)","67","","(Nd3.66 Y1.34 Ca6.5 Sr2.5) (Cu23.15 Ca0.425 Sr0.425) O41","","- Ca6.925 Cu23.15 Nd3.66 O41 Sr2.925 Y1.34 -","- Ca6.925 Cu23.15 Nd3.66 O41 Sr2.925 Y1.34 -","- Ca27.7 Cu92.6 Nd14.64 O164 Sr11.7 Y5.36 -","4","","","Arakcheeva, A.V.; Lubman, G.U.; Shlyapkina, L.V.; Leonyuk, L.I.","Commensurate variant of the A14Cu24O41-type structure of a new (Nd, Y, Sr, Ca)14 (Cu, Ca, Sr)24 O41 compound.","Kristallografiya","1996","41","","43","50","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534927","11.075","","11.075","","20.372","","90","","90","","120","","2163.97","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Ba4 Y3 F17","","- Ba4 F17 Y3 -","- Ba4 F16.9998 Y3 -","- Ba24 F101.999 Y18 -","6","0.333333","","Maksimov, B.A.; Golubev, A.M.; Solans, H.; Dudka, A.P.; Badria-Font, M.; Genkina, E.A.; Buchinskaya, I.I.; Loshmanov, A.A.; Simonov, V.I.; Font-Altaba, M.","The fluorite-matrix-based Ba4 R3 F17 (R= Y, Yb) crystal structure. Ordering of cations and specific features of the anionic motif.","Kristallografiya","1996","41","","51","59","","","","","","","","","","","","","","","","","","","","","","has coordinates","162003","2020-10-21","18:00:00",""
"1534931","11","","11","","20.262","","90","","90","","120","","2123.24","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Ba4 Yb3 F17","","- Ba4 F17 Yb3 -","- Ba4 F16.9998 Yb3 -","- Ba24 F101.999 Yb18 -","6","0.333333","","Maksimov, B.A.; Buchinskaya, I.I.; Solans, H.; Dudka, A.P.; Genkina, E.A.; Font-Altaba, M.; Badria-Font, M.; Loshmanov, A.A.; Golubev, A.M.; Simonov, V.I.","The fluorite-matrix-based Ba4 R3 F17 (R= Y, Yb) crystal structure. Ordering of cations and specific features of the anionic motif.","Kristallografiya","1996","41","","51","59","","","","","","","","","","","","","","","","","","","","","","has coordinates","162008","2020-10-21","18:00:00",""
"1534971","7.7573","","7.1319","","8.37","","90","","117.397","","90","","411.127","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Zn3 (Mo2 O9)","","- Mo2 O9 Zn3 -","- Mo2 O9 Zn3 -","- Mo4 O18 Zn6 -","2","0.5","","Soehnel, T.; Reichelt, W.; Oppermann, H.; Simon, A.; Mattausch, H.J.","Zum System Zn/Mo/O. I Phasenbestand und Eigenschaften der ternaeren Zinkmolybdate; Struktur von Zn3 Mo2 O9","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","1274","1280","","","","","","","","","","","","","","","","","","","","","","has coordinates","162063","2020-10-21","18:00:00",""
"1535091","12.7788","","6.4002","","10.5268","","90","","90","","90","","860.954","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","K (Ge0.042 Ti0.958 O) (P O4)","","- Ge0.042 K O5 P Ti0.958 -","- Ge0.0415 K O5 P Ti0.9585 -","- Ge0.332 K8 O40 P8 Ti7.668 -","8","2","","Sorokina, N.I.; Voronkova, V.I.; Verin, I.A.; Yanovskii, V.K.; Simonov, V.I.","Crystal structures of compounds in the K Ti O P O4 K Ge O P O4 system.","Kristallografiya","1996","41","","457","460","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535095","12.7252","","6.3944","","10.4212","","90","","90","","90","","847.973","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","K (Ge0.184 Ti0.816 O) (P O4)","","- Ge0.184 K O5 P Ti0.816 -","- Ge0.184 K O5 P Ti0.816 -","- Ge1.472 K8 O40 P8 Ti6.528 -","8","2","","Sorokina, N.I.; Voronkova, V.I.; Simonov, V.I.; Yanovskii, V.K.; Verin, I.A.","Crystal structures of compounds in the K Ti O P O4 K Ge O P O4 system.","Kristallografiya","1996","41","","457","460","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535157","12.13","","8.181","","19.534","","90","","103.12","","90","","1887.87","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Cs6 (S2 (Nb2 S10)2)","","- Cs6 Nb4 S22 -","- Cs6 Nb4 S22 -","- Cs12 Nb8 S44 -","2","0.5","","Bensch, W.; Duerichen, P.","A6Nb4S22 (A=Rb and Cs), Compounds with the Tetrameric Complex Anion (Nb4S22)6-: Preparation via the Molten Flux Method and Crystal Structure Determination","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","1963","1967","","","","","","","","","","","","","","","","","","","","","","has coordinates","162366","2020-10-21","18:00:00",""
"1535160","11.793","","8.013","","19.142","","90","","103.97","","90","","1755.36","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Rb6 (S2 (Nb2 S10)2)","","- Nb4 Rb6 S22 -","- Nb4 Rb6 S22 -","- Nb8 Rb12 S44 -","2","0.5","","Bensch, W.; Duerichen, P.","A6 Nb4 S22 (A= Rb and Cs), Compounds with the tetrameric complex anion (Nb4 S22)6-: Preparation via the molten flux method and crystal structure determination","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","1963","1967","","","","","","","","","","","","","","","","","","","","","","has coordinates","162370","2020-10-21","18:00:00",""
"1535285","5.8997","","5.8997","","15.89","","90","","90","","120","","478.977","","","","","","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","Al3 C (B C2)","","- C3 Al3 B -","- C3 Al3 B -","- C18 Al18 B6 -","6","0.5","","Hillebrecht, H.; Meyer, F.D.","Synthese, Kristallstruktur und Schwingungsspecktren von Al3 B C3, einem Carbidcarboborat des Aluminiums mit dem linearen Anion (C=B=C)5-","Angewandte Chemie (German Edition)","1996","108","","2655","2657","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535361","3.057","","3.057","","14.895","","90","","90","","120","","120.549","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Ti C0.51 N0.12","","- C0.51 N0.12 Ti -","- C0.515 N0.12 Ti -","- C3.09 N0.72 Ti6 -","6","1","","Tashmetov, M.Yu.; Em, V.T.; Mukhtarova, N.N.","Trigonal ordered structure in titanium carbonitride","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1996","32","","171","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535387","7.251","","7.251","","13.081","","90","","90","","120","","595.617","","","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","Na3 Sc Br6","","- Br6 Na3 Sc -","- Br6 Na3 Sc -","- Br12 Na6 Sc2 -","2","0.166667","","Bohnsack, A.; Meyer, G.","Ternaere Halogenide des Scandiums mit Natrium, Na3 Sc X6 (X= F, Cl, Br): Synthese, Strukturen, Ionenleitfaehigkeit","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","173","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535389","5.6016","","5.8031","","8.121","","90","","90.72","","90","","263.966","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Na3 (Sc F6)","","- F6 Na3 Sc -","- F6 Na3 Sc -","- F12 Na6 Sc2 -","2","0.5","","Bohnsack, A.; Meyer, G.","Ternaere Halogenide des Scandiums mit Natrium, Na3 Sc X6 (X= F, Cl, Br): Synthese, Strukturen, Ionenleitfaehigkeit","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","173","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535753","10.299","","13.329","","6.3145","","90","","113","","90","","797.917","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Cs Zn V (P6 O18)","","- Cs O18 P6 V Zn -","- Cs O18 P6 V Zn -","- Cs2 O36 P12 V2 Zn2 -","2","0.25","","Murashova, E.V.; Chudinova, N.N.","Synthesis of Cs M(II) M(III) P6 O18 cyclohexaphosphates with M(II)= Mg, Co, Zn, Mn; M(III)= Al, Ga, V, Fe. The crystal structure of Cs Zn V P6 O18","Kristallografiya","1996","41","","254","256","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535756","16.166","","9.953","","12.435","","90","","127.23","","90","","1593.06","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Cs3 Mn4 (P6 O18)2","","- Cs3 Mn4 O36 P12 -","- Cs3 Mn4 O36 P12 -","- Cs6 Mn8 O72 P24 -","2","0.25","","Murashova, E.V.; Chudinova, N.N.","Synthesis and crystal structures of cesium and manganese(II, III) double cyclophosphates Cs3 (Mn2+)3 (Mn3+) (P6 O18)2, Cs (Mn2+) (Mn3+) P6 O18 - I, Cs (Mn2+) (Mn3+) P6 O18 - II","Kristallografiya","1996","41","","248","253","","","","","","","","","","","","","","","","","","","","","","has coordinates","163217","2020-10-21","18:00:00",""
"1535760","10.329","","13.356","","6.227","","90","","113.05","","90","","790.458","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Cs Mn2 (P6 O18)","","- Cs Mn2 O18 P6 -","- Cs Mn2 O18 P6 -","- Cs2 Mn4 O36 P12 -","2","0.25","","Murashova, E.V.; Chudinova, N.N.","Synthesis and crystal structures of cesium and manganese(II, III) double cyclophosphates Cs3 (Mn2+)3 (Mn3+) (P6 O18)2, Cs (Mn2+) (Mn3+) P6 O18 - I, Cs (Mn2+) (Mn3+) P6 O18 - II","Kristallografiya","1996","41","","248","253","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535765","12.942","","12.502","","5.061","","90","","110.59","","90","","766.565","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Cs Mn2 (P6 O18)","","- Cs Mn2 O18 P6 -","- Cs Mn2 O18 P6 -","- Cs2 Mn4 O36 P12 -","2","0.25","","Murashova, E.V.; Chudinova, N.N.","Synthesis and crystal structures of cesium and manganese(II, III) double cyclophosphates Cs3 (Mn2+)3 (Mn3+) (P6 O18)2, Cs (Mn2+) (Mn3+) P6 O18 - I, Cs (Mn2+) (Mn3+) P6 O18 - II","Kristallografiya","1996","41","","248","253","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536156","10.192","","9.162","","8.306","","90","","90","","90","","775.607","","","","","","","","","","","","","3","P m n 21","P 2ac -2","31","","K7 (Nb As4)","","- As4 K7 Nb -","- As4 K7 Nb -","- As8 K14 Nb2 -","2","0.5","","Nuss, J.; Cardoso Gil, R.H.; Peters, K.; Hoenle, W.; von Schnering, H.G.","Synthese, Struktur und Eigenschaften der Tetraarsenidometallate(V) M7 (T As4) (M= K, Rb; T= Nb, Ta)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","1854","1864","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536160","10.173","","9.155","","8.305","","90","","90","","90","","773.476","","","","","","","","","","","","","3","P m n 21","P 2ac -2","31","","K7 (Ta As4)","","- As4 K7 Ta -","- As4 K7 Ta -","- As8 K14 Ta2 -","2","0.5","","Nuss, J.; Cardoso Gil, R.H.; Peters, K.; Hoenle, W.; von Schnering, H.G.","Synthese, Struktur und Eigenschaften der Tetraarsenidometallate(V) M7[TAs4] (M = K, Rb; T = Nb, Ta)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","1854","1864","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536163","10.592","","9.528","","8.604","","90","","90","","90","","868.321","","","","","","","","","","","","","3","P m n 21","P 2ac -2","31","","Rb7 (Nb As4)","","- As4 Nb Rb7 -","- As4 Nb Rb7 -","- As8 Nb2 Rb14 -","2","0.5","","Nuss, J.; Cardoso Gil, R.H.; Peters, K.; Hoenle, W.; von Schnering, H.G.","Synthese, Struktur und Eigenschaften der Tetraarsenidometallate(V) M7[TAs4] (M = K, Rb; T = Nb, Ta)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","1854","1864","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536166","12.59","","12.59","","12.59","","90","","90","","90","","1995.62","","","","","","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","Sr4 (Ti P4)","","- P4 Sr4 Ti -","- P4 Sr4 Ti -","- P32 Sr32 Ti8 -","8","0.333333","","Nuss, J.; Hoenle, W.; Peters, K.; von Schnering, H.G.","Tetrapnictidotitanate(IV) M4TiX4 (M = Sr, Ba; X = P, As), hierarchische Derivate der KGe - Struktur K4Ge4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","1879","1885","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536169","12.883","","12.883","","12.883","","90","","90","","90","","2138.21","","","","","","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","Sr4 (Ti As4)","","- As4 Sr4 Ti -","- As4 Sr4 Ti -","- As32 Sr32 Ti8 -","8","0.333333","","Nuss, J.; Hoenle, W.; Peters, K.; von Schnering, H.G.","Tetrapnictidotitanate(IV) M4TiX4 (M = Sr, Ba; X = P, As), hierarchische Derivate der KGe - Struktur K4Ge4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","1879","1885","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536172","13.166","","13.166","","13.166","","90","","90","","90","","2282.24","","","","","","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","Ba4 (Ti P4)","","- Ba4 P4 Ti -","- Ba4 P4 Ti -","- Ba32 P32 Ti8 -","8","0.333333","","Nuss, J.; Hoenle, W.; Peters, K.; von Schnering, H.G.","Tetrapnictidotitanate(IV) M4TiX4 (M = Sr, Ba; X = P, As), hierarchische Derivate der KGe - Struktur K4Ge4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","1879","1885","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536175","13.469","","13.469","","13.469","","90","","90","","90","","2443.47","","","","","","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","Ba4 (Ti As4)","","- As4 Ba4 Ti -","- As4 Ba4 Ti -","- As32 Ba32 Ti8 -","8","0.333333","","Nuss, J.; Hoenle, W.; Peters, K.; von Schnering, H.G.","Tetrapnictidotitanate(IV) M4TiX4 (M = Sr, Ba; X = P, As), hierarchische Derivate der KGe - Struktur K4Ge4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","1879","1885","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536323","12.0413","","12.0413","","7.5809","","90","","90","","90","","1099.18","","","","","","","","","","","","","8","I 4/m","-I 4","87","","(Na0.752 K0.06 Ca0.144)4 (Si8.32 Al3.52 O24) Cl0.92 (C O3)0.08","","- C0.08 Al3.52 Ca0.576 Cl0.92 K0.24 Na3.008 O24.24 Si8.32 -","- C0.08 Al3.52 Ca0.576 Cl0.92 K0.24 Na3.008 O24.24 Si8.32 -","- C0.16 Al7.04 Ca1.152 Cl1.84 K0.48 Na6.016 O48.48 Si16.64 -","2","0.125","","Kabalov, Yu.K.; Sokolova, E.V.","Refinement of crystal structures of scapolites by the Rietveld method: marialites (6.4,8.1 and 15%Me)","Kristallografiya","1996","41","","461","470","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536555","4.279","","4.279","","4.279","","90","","90","","90","","78.348","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ti C0.3 N0.6 H0.08","","- C0.3 H0.08 N0.6 Ti -","- C0.3 H0.08 N0.6 Ti -","- C1.2 H0.32 N2.4 Ti4 -","4","0.0208333","","Khidirov, I.","Newtron diffraction study of titanium carbonitridohydride Ti Cx Ny Hz","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1996","32","","571","576","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536557","4.272","","4.272","","4.272","","90","","90","","90","","77.964","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ti C0.25 N0.22 H0.19","","- C0.25 H0.19 N0.22 Ti -","- C0.25 H0.19 N0.22 Ti -","- C H0.76 N0.88 Ti4 -","4","0.0208333","","Khidirov, I.","Newtron diffraction study of titanium carbonitridohydride Ti Cx Ny Hz","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1996","32","","571","576","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536561","8.592","","8.592","","8.592","","90","","90","","90","","634.283","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Ti C0.38 N0.35 H0.11","","- C0.38 H0.11 N0.35 Ti -","- C0.38 H0.11 N0.3495 Ti -","- C12.16 H3.52 N11.184 Ti32 -","32","0.166667","","Khidirov, I.","Newtron diffraction study of titanium carbonitridohydride Ti Cx Ny Hz","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1996","32","","571","576","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536565","5.163","","3.012","","4.828","","90","","89.82","","90","","75.08","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Ti2 N0.8 H0.42","","- H0.42 N0.8 Ti2 -","- H0.42 N0.8 Ti2 -","- H0.84 N1.6 Ti4 -","2","0.25","","Khidirov, I.; Kurbonov, I.I.; Mukhtarova, N.N.","Crystal structure of a new phase in a Ti-N-H system","Kristallografiya","1996","41","","450","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","164316","2020-10-21","18:00:00",""
"1536581","10.13","","11.489","","6.822","","90","","101.2","","90","","778.848","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(C F3) Te Te (C F3)","","- C2 F6 Te2 -","- C2 F6 Te2 -","- C8 F24 Te8 -","4","1","","Dukat, W.; Gall, F.; Mootz, D.; Meyer, C.; Naumann, D.; Schulz, K.; Nowicki, G.","Kristallstruktur von (C F3) Te Te (C F3) - Synthese, Charakterisierung und Eigenschaften von C F3 Te I","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","617","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1536774","6.211","","6.211","","10.407","","90","","90","","90","","401.466","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Na3 (Al2 F3 (P O4)2)","","- Al2 F3 Na3 O8 P2 -","- Al2 F3 Na3 O8 P2 -","- Al4 F6 Na6 O16 P4 -","2","0.0625","","Yakubovich, O.V.; Mel'nikov, O.K.","Anionic framework of a mixed type in Na3 (Al2 F3 (P O4)2) crystal structure","Kristallografiya","1996","41","","663","668","","","","","","","","","","","","","","","","","","","","","","has coordinates","164632","2020-10-21","18:00:00",""
"1536800","13.033","","18.717","","12.264","","90","","99.62","","90","","2949.59","","","","","","","","","","","","","8","I 1 2/m 1","-I 2y","12","","Na5.8 K0.45 Mn (Ti0.75 Nb0.25) (Si10 O24) (O H)3.5 O0.5 (H2 O)4","","- H11.5 K0.45 Mn Na5.8 Nb0.25 O32 Si10 Ti0.75 -","- K0.45 Mn Na5.8 Nb0.25 O32 Si10 Ti0.75 -","- K1.8 Mn4 Na23.2 Nb O128 Si40 Ti3 -","4","0.5","","Yamnova, N.A.; Egorov-Tismenko, Yu.K.; Khomyakov, A.P.","Crystal structure of a new natural (Na, Mn, Ti)-phyllosilicate","Kristallografiya","1996","41","","257","262","","","","","","","","","","","","","","","","","","","","","","has coordinates","209177","2020-10-21","18:00:00",""
"1536812","9.118","","9.118","","9.118","","90","","90","","90","","758.052","","","","","","","","","","","","","7","P -4 3 n","P -4n 2 3","218","","(Na4.4 K1.39 Ca1.89) (Al6 Si6 O24) (S O4)1.84","","- Al6 Ca1.89 K1.39 Na4.4 O31.36 S1.84 Si6 -","- Al6 Ca1.888 K1.392 Na4.4 O31.2 S1.84 Si6 -","- Al6 Ca1.888 K1.392 Na4.4 O31.2 S1.84 Si6 -","1","0.0416667","","Evsyunin, V.G.; Sapozhnikov, A.N.; Rastsvetaeva, R.K.; Kashaev, A.A.","Crystal structure of the potassium-rich hauyne from Arissia (Italy)","Kristallografiya","1996","41","","659","662","","","","","","","","","","","","","","","","","","","","","","has coordinates","164681","2020-10-21","18:00:00",""
"1536891","9.964","","18.31","","5.351","","90","","105","","90","","942.976","","","","","","","","","","","","","12","C 1 2/m 1","-C 2y","12","","(K0.613 Na0.357) (Ca1.95 Mn0.05) (Fe0.8 Mg0.2)2 (Fe0.85 Mg0.15)2 Fe ((Si6.3 Al1.7) O22) Cl1.4 (O H)0.28 F0.28","","- Al1.7 Ca1.95 Cl1.4 F0.28 Fe4.3 H0.28 K0.613 Mg0.7 Mn0.05 Na0.357 O22.28 Si6.3 -","- Al1.7 Ca1.95 Cl1.4 F0.28 Fe4.3 K0.613 Mg0.7 Mn0.05 Na0.357 O22.28 Si6.3 -","- Al3.4 Ca3.9 Cl2.8 F0.56 Fe8.6 K1.226 Mg1.4 Mn0.1 Na0.714 O44.56 Si12.6 -","2","0.25","","Rastsvetaeva, R.K.; Pushcharovskii, D.Yu.; Vinogradova, R.A.; Pekov, I.V.","Crystal structure of dashkesanite.","Kristallografiya","1996","41","","65","69","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536895","16.215","","28.085","","12.7","","90","","90","","90","","5783.56","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","Cs (Bi2 F7)","","- Bi2 Cs F7 -","- Bi2 Cs F7 -","- Bi64 Cs32 F224 -","32","4","","Rastsvetaeva, R.K.; Butashin, A.V.; Maksimov, B.A.; Kaminskii, A.A.; Golubev, A.M.","Synthesis, crystal structure and some properties of Cs Bi2 F7 : (Nd 3+)","Kristallografiya","1996","41","","444","449","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537193","3.778","","8.125","","10.051","","74.8","","81.77","","81.78","","292.867","","","","","","","","","","","","","6","P -1","-P 1","2","","(Cd Cl2) (C O (N H2)2)","","- C H4 Cd Cl2 N2 O -","- C H4 Cd Cl2 N2 O -","- C2 H8 Cd2 Cl4 N4 O2 -","2","1","","Furmanova, N.G.; Sulaimankulova, D.K.; Resnyanskii, V.F.; Sulaimankulov, K.S.","Crystal structure of cadmium chloride and carbamide complex Cd Cl2 * C O (N H2)2","Kristallografiya","1996","41","","669","672","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538122","9.816","","17.899","","5.297","","90","","105.35","","90","","897.465","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","(Na0.41 K0.04 Ca0.51) (Ca1.94 Mn0.06) (Mg3.79 Fe0.43 Al0.78) (Si5.72 Al2.28) O22 F1.46 (O H)0.54","","- Al3.06 Ca2.45 F1.46 Fe0.43 H0.54 K0.04 Mg3.79 Mn0.06 Na0.41 O22.54 Si5.72 -","- Al3.08 Ca2.45 F1.46 Fe0.41 K0.04 Mg3.79 Mn0.06 Na0.41 O22.54 Si5.72 -","- Al6.16 Ca4.9 F2.92 Fe0.82 K0.08 Mg7.58 Mn0.12 Na0.82 O45.08 Si11.44 -","2","0.25","","Hawthorne, F.C.; Ungaretti, L.; Oberti, R.; Grice, J.D.","A new hyper-calcic amphibole with Ca at the A site: Fluor-cannilloite from Pargas, Finland","American Mineralogist","1996","81","","995","1002","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538124","9.889","","17.978","","5.298","","90","","105.41","","90","","908.04","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","(Na0.44 K0.4 Ca0.16) Ca2 (Mg4.32 Fe0.18 Al0.5) (Si6.14 Al1.86 O22) F1.54 (O H)0.46","","- Al2.36 Ca2.16 F1.54 Fe0.18 H0.46 K0.4 Mg4.32 Na0.44 O22.46 Si6.14 -","- Al2.36 Ca2.16 F1.54 Fe0.18 H0.46 K0.4 Mg4.32 Na0.44 O22.46 Si6.14 -","- Al4.72 Ca4.32 F3.08 Fe0.36 H0.92 K0.8 Mg8.64 Na0.88 O44.92 Si12.28 -","2","0.25","","Hawthorne, F.C.; Oberti, R.; Ungaretti, L.; Grice, J.D.","A new hyper-calcic amphibole with Ca at the A site: Fluor-cannilloite from Pargas, Finland","American Mineralogist","1996","81","","995","1002","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538128","9.673","","17.817","","5.3153","","90","","104.08","","90","","888.538","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","(Na0.84 K0.03) (Na1.53 Ca0.47) (Mg2.41 Fe1.45 Al1.14) (Si7.04 Al0.96) O22 F1.15 (O H)0.85","","- Al2.1 Ca0.47 F1.15 Fe1.45 H0.85 K0.03 Mg2.41 Na2.37 O22.85 Si7.04 -","- Al2.1 Ca0.47 F1.15 Fe1.45 H0.85 K0.03 Mg2.41 Na2.37 O22.85 Si7.04 -","- Al4.2 Ca0.94 F2.3 Fe2.9 H1.7 K0.06 Mg4.82 Na4.74 O45.7 Si14.08 -","2","0.25","","Hawthorne, F.C.; Oberti, R.; Sardone, N.","Sodium at the A site in clinoamphiboles: The effects of composition on the patterns of order","Canadian Mineralogist","1996","34","","577","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538130","9.722","","17.862","","5.319","","90","","104.33","","90","","894.929","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","Na0.92 (Na1.21 Ca0.79) (Mg2.42 Fe1.7 Al0.86 Ti0.02) (Si6.6 Al1.4) O22 F1.02 (O H).98","","- Al2.26 Ca0.79 F1.02 Fe1.7 H0.98 Mg2.42 Na2.13 O22.98 Si6.6 Ti0.02 -","- Al2.26 Ca0.79 F1.02 Fe1.7 H0.98 Mg2.42 Na2.13 O22.98 Si6.6 Ti0.02 -","- Al4.52 Ca1.58 F2.04 Fe3.4 H1.96 Mg4.84 Na4.26 O45.96 Si13.2 Ti0.04 -","2","0.25","","Hawthorne, F.C.; Oberti, R.; Sardone, N.","Sodium at the A site in clinoamphiboles: The effects of composition on the patterns of order","Canadian Mineralogist","1996","34","","577","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538132","9.7724","","17.8527","","5.3102","","90","","104.833","","90","","895.565","","","","","","","","","","","","","9","C 1 2/m 1","-C 2y","12","","Na (Na0.94 Ca1.06) (Mg2.93 Fe0.91 Al1.12 Ti0.04) ((Si6.24 Al1.76) O22) (O H)2","","- Al2.88 Ca1.06 Fe0.91 H2 Mg2.93 Na1.94 O24 Si6.24 Ti0.04 -","- Al2.88 Ca1.06 Fe0.91 H2 Mg2.93 Na1.94 O24 Si6.24 Ti0.04 -","- Al5.76 Ca2.12 Fe1.82 H4 Mg5.86 Na3.88 O48 Si12.48 Ti0.08 -","2","0.25","","Hawthorne, F.C.; Oberti, R.; Sardone, N.","Sodium at the A site in clinoamphiboles: The effects of composition on the patterns of order","Canadian Mineralogist","1996","34","","577","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538134","9.862","","17.928","","5.295","","90","","105.28","","90","","903.093","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","(Na0.96 K0.04) (Na0.24 Ca1.75 Mn0.01) (Mg3.23 Fe0.69 Al1.08) ((Si6.12 Al1.88) O22) (O H)2","","- Al2.96 Ca1.75 Fe0.69 H2 K0.04 Mg3.23 Mn0.01 Na1.2 O24 Si6.12 -","- Al2.96 Ca1.75 Fe0.69 H2 K0.04 Mg3.23 Mn0.01 Na1.2 O24 Si6.12 -","- Al5.92 Ca3.5 Fe1.38 H4 K0.08 Mg6.46 Mn0.02 Na2.4 O48 Si12.24 -","2","0.25","","Hawthorne, F.C.; Sardone, N.; Oberti, R.","Sodium at the A site in clinoamphiboles: The effects of composition on the patterns of order","Canadian Mineralogist","1996","34","","577","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539523","5.05","","5.05","","26.3","","90","","90","","90","","670.716","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Cs3 Mg2 Cl7","","- Cl7 Cs3 Mg2 -","- Cl7 Cs3 Mg2 -","- Cl14 Cs6 Mg4 -","2","0.0625","","Al-Aql, A.A.; Dughaish, Z.H.; Al-Jufali, A.; Flimban, A.; Hameida, E.M.A.; Al-Sheibani, K.M.","The crystal structure of the compound Cs3 Mg2 Cl7","Arab Gulf J. Scientific Research","1996","14","","249","260","","","","","","","","","","","","","","","","","","","","","","has coordinates","168459","2020-10-21","18:00:00",""
"1539653","4.44","","15.852","","8.094","","90","","94.95","","90","","567.554","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bi2 Cu (Se O3)4","","- Bi2 Cu O12 Se4 -","- Bi2 Cu O12 Se4 -","- Bi4 Cu2 O24 Se8 -","2","0.5","","Effenberger, H.","Crystal chemistry of two monoclinic modifications of Bi2 Cu (Se O3)4","Acta Chemica Scandinavica (43,1989-)","1996","50","","967","972","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539657","10.513","","7.224","","8.16","","90","","110.6","","90","","580.094","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bi2 Cu (Se O3)4","","- Bi2 Cu O12 Se4 -","- Bi2 Cu O12 Se4 -","- Bi4 Cu2 O24 Se8 -","2","0.5","","Effenberger, H.","Crystal chemistry of two monoclinic modifications of Bi2 Cu (Se O3)4","Acta Chemica Scandinavica (43,1989-)","1996","50","","967","972","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539746","24.58","","9.2","","12.14","","90","","93.97","","90","","2738.7","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Nd2 (P6 O18) (H2 O)6","","- H12 Nd2 O24 P6 -","- Nd2 O24 P6 -","- Nd8 O96 P24 -","4","1","","Elmokhtar, O.S.M.; Rzaigui, M.","Preparation, characterization and crystal structure of neodymium cyclohexaphosphate hexahydrate: Nd2 P6 O18 . 6 (H2 O)","Bulletin des Societes chimiques Belges","1996","105","","307","315","","","","","","","","","","","","","","","","","","","","","","has coordinates","168760","2020-10-21","18:00:00",""
"1539765","10.155","","10.286","","16.732","","96.5","","87.18","","108.99","","1641.84","","","","","","","","","","","","","4","P -1","-P 1","2","","(N H4)12 (V10 O28)2 (H2 O)12","","- H48 N12 O68 V20 -","- H48 N12 O68 V20 -","- H48 N12 O68 V20 -","1","0.5","","Cheng, C.-Z.; Shao, S.-B.; Huang, X.-Y.; Lin, Z.-B.","Crystal structure of dodecaammonium dodecavanadate dodecahydrate","Jiegon Huaxue","1996","15","","40","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","168787","2020-10-21","18:00:00",""
"1539768","9.444","","9.444","","6.829","","90","","90","","120","","527.472","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Mn Sm4 (Si O4)3 O","","- Mn O10 Si3 Sm4 -","- Mn O10 Si3 Sm4 -","- Mn2 O20 Si6 Sm8 -","2","0.166667","","Chi Lisheng; Huang, J.-S.; Zhang, H.-H.; Deng Shui-Quan","Synthesis and crystal structure of Mn Sm4 (Si O4)3 O","Jiegon Huaxue","1996","15","","113","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539801","5.907","","5.907","","22.549","","90","","90","","120","","681.384","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","(N H4)3 H (S O4)2","","- H13 N3 O8 S2 -","- H13 N3 O7.9998 S2 -","- H39 N9 O23.9994 S6 -","3","0.166667","","Fukami, T.; Horiuchi, K.; Nakasone, K.; Furukawa, K.","Crystal structure of (N H4)3 H (S O4)2 in phase I","Japanese Journal of Applied Physics, Part 1","1996","35","","2253","2254","","","","","","","","","","","","","","","","","","","","","","has coordinates","168844","2020-10-21","18:00:00",""
"1541089","8.137","","9.583","","12.447","","90","","97.36","","90","","962.581","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(S Br3) (Sb F6)","","- Br3 F6 S Sb -","- Br3 F6 S Sb -","- Br12 F24 S4 Sb4 -","4","1","","Passmore, J.; Cameron, T.S.; Way, T.; Boyle, P.D.; Schatte, G.","The preparation and characterization of Se Cl3 Sb F6, improved syntheses of M Cl3 (As/Sb) F6 (M= S, se), and the x-ray crystal structure determination of Se Cl3 As F6 and a new phase of S Br3 Sb F6","Canadian Journal of Chemistry","1996","74","","1671","1681","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541090","7.678","","9.38","","11.92","","90","","98.19","","90","","849.719","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Se Cl3) (As F6)","","- As Cl3 F6 Se -","- As Cl3 F6 Se -","- As4 Cl12 F24 Se4 -","4","1","","Passmore, J.; Schatte, G.; Cameron, T.S.; Boyle, P.D.; Way, T.","The preparation and characterization of Se Cl3 Sb F6, improved syntheses of M Cl3 (As/Sb) F6 (M= S, se), and the x-ray crystal structure determination of Se Cl3 As F6 and a new phase of S Br3 Sb F6","Canadian Journal of Chemistry","1996","74","","1671","1681","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541203","7.758","","20.092","","6.241","","90","","90","","90","","972.808","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Pr (Nb5 O14)","","- Nb5 O14 Pr -","- Nb5 O14 Pr -","- Nb20 O56 Pr4 -","4","0.5","","Mao, J.-G.; Zhuang, H.-H.; Huang, J.-S.","Preparation and crystal structure of Pr Nb5 O14","Jiegon Huaxue","1996","15","","35","39","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541204","8.8385","","8.8385","","12.6662","","90","","90","","120","","856.908","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Nd2 Fe12.9 Ti1.19 C2.97","","- C2.97 Fe12.9 Nd2 Ti1.19 -","- C2.97 Fe12.9 Nd2 Ti1.19 -","- C8.91 Fe38.7 Nd6 Ti3.57 -","3","0.0833333","","Marasinghe, G.K.; Ezekwenna, P.C.; James, W.J.; Long, G.J.; Hu, Z.; Pringle, O.A.; Yelon, W.B.; Grandjean, F.","Neutron diffraction and Moessbauer spectral study of the Nd2 Fe16 Ti Cx solid solutions","Journal of Applied Physics","1996","79","","4587","4589","","","","","","","","","","","","","","","","","","","","","","has coordinates","172476","2020-10-21","18:00:00",""
"1544347","16.314","0.002","8.115","0.003","5.265","0.009","90","","90","","90","","697","1.2","","","","","","","","","","","","2","F d d 2","F 2 -2d","43","P2O5 ortho1, Arbib et al., JSSC127, 35","","","- O5 P2 -","- O5 P2 -","- O40 P16 -","8","0.5","","Arbib, E.H.; Elouadi, B.; Chaminade, J.P.; Darriet, J.","New refinement of the crystal structure of o-P2O5","Journal of Solid State Chemistry","1996","127","","350","353","","","","","","","","","","","","","","","","","","","","","","has coordinates","187519","2020-10-21","18:00:00",""
"1544379","5.6284","0.0007","8.2724","0.0007","6.1118","0.0006","90","","90","","90","","284.57","0.05","","","","","","","","","","","","3","C m c m","-C 2c 2","63","FeVO4 Cmcm","","","- Fe O4 V -","- Fe O4 V -","- Fe4 O16 V4 -","4","0.25","","Oka, Y.; Yao, T.; Yamamoto, N.; Ueda, Y.; Kawasaki, S.; Azuma, M.; Takano, M.","Hydrothermal synthesis, crystal structure, and magnetic properties of FeVO4-II","Journal of Solid State Chemistry","1996","123","","54","59","","","","","","","","","","","","","","","","","","","","","","has coordinates","187630","2020-10-21","18:00:00",""
"1544429","3.7718","0.0002","3.7718","0.0002","12.0829","0.0006","90","","90","","90","","171.897","0.015","","","","","","","","","","","","4","P 4/n m m","P 4ab 2ab -1ab","129","LiLaTiO4","","","- La Li O4 Ti -","- La Li O4 Ti -","- La2 Li2 O8 Ti2 -","2","","","Toda, K.; Kurita, S.; Sato, M.","New layered perovskite compounds, LiLa2TiO4 and LiEuTiO4","Journal of the Ceramic Society of Japan","1996","104","","140","142","","","","","","","","","","","","","","","","","","","","","","has coordinates","187735","2020-10-21","18:00:00",""
"1544430","11.4155","0.0007","5.355","0.001","5.353","0.001","90","","90","","90","","327.23","0.09","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","LiEuTiO4","","","- Eu Li O4 Ti -","- Eu Li O4 Ti -","- Eu4 Li4 O16 Ti4 -","4","0.5","","Toda, K.; Kurita, S.; Sato, M.","New layered perovskite compounds, LiLa2TiO4 and LiEuTiO4","Journal of the Ceramic Society of Japan","1996","104","","140","142","","","","","","","","","","","","","","","","","","","","","","has coordinates","187736","2020-10-21","18:00:00",""
"1544434","3.596","0.001","20.111","0.002","14.1092","0.0009","90","","92.12","0.02","90","","1019.7","0.3","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","C3N6H6 2H3BO3 melamine diborate","","","- C3 H12 B2 N6 O6 -","- C3 H12 B2 N6 O6 -","- C12 H48 B8 N24 O24 -","4","1","","Kawasaki, T.; Kuroda, Y.; Nishikawa, H.","The crystal structure of melamine diborate","Journal of the Ceramic Society of Japan","1996","104","","935","038","","","","","","","","","","","","","","","","","","","","","","has coordinates","187740","2020-10-21","18:00:00",""
"1544670","10.265","0.002","10.265","0.002","10.265","0.002","90","","90","","90","","1081.6","0.4","","","","","","","","","","","","7","F d -3 m","-F 4vw 2vw 3","227","NaCa0.80Mn0.01Sb2O5.69F0.89(OH)0.36","","romeite","- Ca0.8 F0.89 H0.36 Mn0.01 Na O6.15 Sb2 -","- Ca0.82 F0.712 Na1.1 O6.288 Sb2 -","- Ca6.56 F5.696 Na8.8 O50.304 Sb16 -","8","","","Matsubara, S.; Kato, A.; Shimizu, M.; Sekiuchi, K.; Suzuki, Y.","Romeite from the Gozaisho mine, Iwaki, Japan","Mineralogical Journal","1996","18","","155","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","188687","2020-10-21","18:00:00",""
"1545752","10.075","0.001","18.506","0.003","16.06","0.002","90","","90","","90","","2994.4","0.7","","","293","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C4 H14 F2 Ga3 N2 O12 P3 -","- C4 F2 Ga3 N2 O12 P3 -","- C32 F16 Ga24 N16 O96 P24 -","8","1","","Thierry Loiseau; Francis Taulelle; Gerard Ferey","Oxyfluorinated compounds with open structure XI. Interaction between the ULM-3 type framework and linear diamine templates of different chain lengths studied by X-ray diffraction and solid-state nuclear magnetic resonance characterization","Microporous Materials","1996","5","","365","379","10.1016/0927-6513(95)00073-9","","x-ray","0.71069","MoKα","","","0.033","","","0.033","","","","","","","","","","","has coordinates","195507","2020-10-21","18:00:00",""
"1545753","10.156","0.003","18.672","0.009","16.367","0.007","90","","90","","90","","3104","2","","","293","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C5 H16 F2 Ga3 N2 O12 P3 -","- C5 F2 Ga3 N2 O12 P3 -","- C40 F16 Ga24 N16 O96 P24 -","8","1","","Thierry Loiseau; Francis Taulelle; Gerard Ferey","Oxyfluorinated compounds with open structure XI. Interaction between the ULM-3 type framework and linear diamine templates of different chain lengths studied by X-ray diffraction and solid-state nuclear magnetic resonance characterization","Microporous Materials","1996","5","","365","379","10.1016/0927-6513(95)00073-9","","x-ray","0.71069","MoKα","","","0.044","","","0.044","","","","","","","","","","","has coordinates","195508","2020-10-21","18:00:00",""
"1546025","5.0762","","11.2136","","6.7583","","90","","90","","90","","384.699","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","gamma dicalcium silicate","","- Ca2 O4 Si -","- Ca2 O4 Si -","- Ca8 O16 Si4 -","4","0.5","","Mumme, W.G.; Cranswick, L.; Chakoumakos, B.","Rietveld crystal structure refinement from high temperature neutron powder diffraction data for the polymorphs of dicalcium silicate","Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-)","1996","170","","171","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","196666","2020-10-21","18:00:00",""
"1546026","20.5266","","9.4963","","5.5897","","90","","90","","90","","1089.58","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","alpha1L dicalcium silicate","","- Ca2 O4 Si -","- Ca2 O4 Si -","- Ca24 O48 Si12 -","12","3","","Mumme, W.G.; Cranswick, L.; Chakoumakos, B.","Rietveld crystal structure refinement from high temperature neutron powder diffraction data for the polymorphs of dicalcium silicate","Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-)","1996","170","","171","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","196667","2020-10-21","18:00:00",""
"1546027","6.8709","","5.601","","9.5563","","90","","90","","90","","367.764","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","alpha1H dicalcium silicate","","- Ca2 O4 Si -","- Ca2 O4 Si -","- Ca8 O16 Si4 -","4","0.5","","Mumme, W.G.; Cranswick, L.; Chakoumakos, B.","Rietveld crystal structure refinement from high temperature neutron powder diffraction data for the polymorphs of dicalcium silicate","Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-)","1996","170","","171","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","196668","2020-10-21","18:00:00",""
"1546028","5.532","","5.532","","7.327","","90","","90","","120","","194.187","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","alpha dicalcium silicate","","- Ca2 O4 Si -","- Ca2 O3.996 Si -","- Ca4 O7.992 Si2 -","2","0.0833333","","Mumme, W.G.; Cranswick, L.; Chakoumakos, B.","Rietveld crystal structure refinement from high temperature neutron powder diffraction data for the polymorphs of dicalcium silicate","Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-)","1996","170","","171","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","196669","2020-10-21","18:00:00",""
"1557340","19.769","0.002","14.352","0.003","16.868","0.002","90","","99.99","0.03","90","","4713.3","1.3","","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[TTP]2[Mo6O19] (TPPM)","","","- C46 H34 Mo6 O21 -","- C46 Mo6 O21 -","- C184 Mo24 O84 -","4","0.5","","Xu, Xue-Xiang; You, Xiao-Zeng; Wang, Xin","Synthesis, Crystal Structure and Photochemical Study of Bis(2,4,6-triphenylpyryllium)hexamolybdate (TPPM) and [n-Bu4N]2[Mo6O19].(TBAM)","Acta Chemica Scandinavica","1996","50","","1","5","10.3891/acta.chem.scand.50-0001","","x-ray","1.5418","CuKα","","","0.078","","","0.079","","","","","","","","","","","has coordinates","248291","2020-10-21","18:00:00",""
"1557343","22.649","0.004","6.591","0.0007","14.471","0.002","90","","106.661","0.013","90","","2069.5","0.5","","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","N(6),N(6)-Dimethyl-adeninium bisulfate","","","- C7 H11 N5 O4 S -","- C7 N5 O4 S -","- C56 N40 O32 S8 -","8","1","","Dahl, Tor; Fossli, Dag; Rasmussen, Inge","Crystal Structures of N(6),N(6)-Dimethyladeninium Bisulfate and N(6)-Methyladeninium Hemisulfate Dihydrate","Acta Chemica Scandinavica","1996","50","","24","28","10.3891/acta.chem.scand.50-0024","","x-ray","1.5418","CuKα","","","0.039","","","0.058","","","","","","","","","","","has coordinates","248312","2020-10-21","18:00:00",""
"1557344","22.201","0.003","14.937","0.002","6.49","0.003","90","","90","","90","","2152.2","1.1","","","293","","","","","","","","","5","C m c m","-C 2c 2","63","N(6)-Methyladeninium hemisulfate dihydrate","","","- C6 H12 N5 O4 S0.5 -","- C6 N5 O4 S0.5 -","- C48 N40 O32 S4 -","8","0.5","","Dahl, Tor; Fossli, Dag; Rasmussen, Inge","Crystal Structures of N(6),N(6)-Dimethyladeninium Bisulfate and N(6)-Methyladeninium Hemisulfate Dihydrate","Acta Chemica Scandinavica","1996","50","","24","28","10.3891/acta.chem.scand.50-0024","","x-ray","1.5418","CuKα","","","0.06","","","0.069","","","","","","","","","","","has coordinates","248313","2020-10-21","18:00:00",""
"1557345","10.44","0.002","6.812","0.004","18.844","0.004","90","","101.17","0.01","90","","1314.7","0.9","","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Nitro cycloadduct","","","- C10 H12 N4 O4 -","- C10 N4 O8 -","- C40 N16 O32 -","4","1","","Butts, Craig P.; Eberson, Lennart; Hartshorn, Michael P.; Robinson, Ward T.; Timmerman-Vaughan, David J.; Young, Dawson A. W.","Photochemical Nitration by Tetranitromethane. Part XXVI. Adduct Formation in the Photochemical Reaction of 1,2,3-Trimethylbenzene: the Formation of 'Double' Adducts Including Nitronic Esters","Acta Chemica Scandinavica","1996","50","","29","47","10.3891/acta.chem.scand.50-0029","","x-ray","0.71069","MoKα","","","0.045","","","","0.149","","","","","","","","","","has coordinates","248314","2020-10-21","18:00:00",""
"1557346","10.187","0.002","13.904","0.004","12.348","0.003","90","","110.84","0.03","90","","1634.5","0.8","","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,2,3-Trimethyl-r-3,c-4,c-6-trinitro-t-5-trinitromethykyclohex-1-ene","","","- C10 H12 N6 O12 -","- C10 N6 O12 -","- C40 N24 O48 -","4","1","","Butts, Craig P.; Eberson, Lennart; Hartshorn, Michael P.; Robinson, Ward T.; Timmerman-Vaughan, David J.; Young, Dawson A. W.","Photochemical Nitration by Tetranitromethane. Part XXVI. Adduct Formation in the Photochemical Reaction of 1,2,3-Trimethylbenzene: the Formation of 'Double' Adducts Including Nitronic Esters","Acta Chemica Scandinavica","1996","50","","29","47","10.3891/acta.chem.scand.50-0029","","x-ray","0.71069","MoKα","","","0.036","","","","0.077","","","","","","","","","","has coordinates","248315","2020-10-21","18:00:00",""
"1557347","14.569","0.005","12.086","0.004","11.793","0.004","90","","105.63","0.03","90","","1999.7","1.2","","","130","","","","","","","","","4","C 1 c 1","C -2yc","9","2,3,4-Trimethyl-c-2,c-5-dinitro-t-6-trinitromethylcyclohex-3-en-r-1-ol ethyl etherate","","","- C14 H23 N5 O12 -","- C14 N5 O12 -","- C56 N20 O48 -","4","1","","Butts, Craig P.; Eberson, Lennart; Hartshorn, Michael P.; Robinson, Ward T.; Timmerman-Vaughan, David J.; Young, Dawson A. W.","Photochemical Nitration by Tetranitromethane. Part XXVI. Adduct Formation in the Photochemical Reaction of 1,2,3-Trimethylbenzene: the Formation of 'Double' Adducts Including Nitronic Esters","Acta Chemica Scandinavica","1996","50","","29","47","10.3891/acta.chem.scand.50-0029","","x-ray","1.5418","CuKα","","","0.041","","","","0.096","","","","","","","","","","has coordinates","248316","2020-10-21","18:00:00",""
"1557348","6.48","0.007","14.84","0.009","26.79","0.02","90","","90","","90","","2576","4","","","130","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Trinitro nitronic ester","","","- C10 H12 N4 O8 -","- C10 N4 O8 -","- C80 N32 O64 -","8","1","","Butts, Craig P.; Eberson, Lennart; Hartshorn, Michael P.; Robinson, Ward T.; Timmerman-Vaughan, David J.; Young, Dawson A. W.","Photochemical Nitration by Tetranitromethane. Part XXVI. Adduct Formation in the Photochemical Reaction of 1,2,3-Trimethylbenzene: the Formation of 'Double' Adducts Including Nitronic Esters","Acta Chemica Scandinavica","1996","50","","29","47","10.3891/acta.chem.scand.50-0029","","x-ray","0.71069","MoKα","","","0.047","","","","0.097","","","","","","","","","","has coordinates","248317","2020-10-21","18:00:00",""
"1557349","10.004","0.002","8.287","0.003","14.671","0.003","90","","96.93","0.03","90","","1207.4","0.6","","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hydroxydinitro nitronic ester","","","- C10 H13 N3 O7 -","- C10 N3 O7 -","- C40 N12 O28 -","4","1","","Butts, Craig P.; Eberson, Lennart; Hartshorn, Michael P.; Robinson, Ward T.; Timmerman-Vaughan, David J.; Young, Dawson A. W.","Photochemical Nitration by Tetranitromethane. Part XXVI. Adduct Formation in the Photochemical Reaction of 1,2,3-Trimethylbenzene: the Formation of 'Double' Adducts Including Nitronic Esters","Acta Chemica Scandinavica","1996","50","","29","47","10.3891/acta.chem.scand.50-0029","","x-ray","0.71069","MoKα","","","0.037","","","","0.124","","","","","","","","","","has coordinates","248318","2020-10-21","18:00:00",""
"1557350","9.602","0.002","7.528","0.002","16.923","0.003","90","","99.88","0.03","90","","1205.1","0.5","","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,4,5-Trimethyl-l-trinitromethylbenzene","","","- C10 H11 N3 O6 -","- C10 N3 O6 -","- C40 N12 O24 -","4","1","","Butts, Craig P.; Eberson, Lennart; Hartshorn, Michael P.; Robinson, Ward T.; Timmerman-Vaughan, David J.; Young, Dawson A. W.","Photochemical Nitration by Tetranitromethane. Part XXVI. Adduct Formation in the Photochemical Reaction of 1,2,3-Trimethylbenzene: the Formation of 'Double' Adducts Including Nitronic Esters","Acta Chemica Scandinavica","1996","50","","29","47","10.3891/acta.chem.scand.50-0029","","x-ray","0.71069","MoKα","","","0.04","","","","0.108","","","","","","","","","","has coordinates","248319","2020-10-21","18:00:00",""
"1557351","6.943","0.004","20.41","0.003","8.281","0.001","90","","101.23","0.03","90","","1151","0.7","","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","t-6-Hydroxy-4,5,6-trimethy1-2,r-4,t-5-trinitrocyclohex-2-enone","","","- C9 H11 N3 O8 -","- C9 N3 O8 -","- C36 N12 O32 -","4","1","","Butts, Craig P.; Eberson, Lennart; Hartshorn, Michael P.; Robinson, Ward T.; Timmerman-Vaughan, David J.; Young, Dawson A. W.","Photochemical Nitration by Tetranitromethane. Part XXVI. Adduct Formation in the Photochemical Reaction of 1,2,3-Trimethylbenzene: the Formation of 'Double' Adducts Including Nitronic Esters","Acta Chemica Scandinavica","1996","50","","29","47","10.3891/acta.chem.scand.50-0029","","x-ray","0.71069","MoKα","","","0.03","","","","0.059","","","","","","","","","","has coordinates","248320","2020-10-21","18:00:00",""
"1557363","8.945","0.002","10.644","0.002","22.458","0.005","90","","90","","90","","2138.2","0.8","","","136","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-(2,2-Dicyano-1-methylethenyl)benzoic acid","","","- C12 H8 N2 O2 -","- C12 N2 O2 -","- C96 N16 O16 -","8","2","","Romming, Christian; Kolsaker, Per; Wiberg, Are; Skjetne, Tore","Atropisomerism in 2-(2,2-Dicyano-1-methylethenyl)benzoic Acid and 3-(2,2-Dicyano-1-methylethenyl)thiophene-2-carboxylic Acid Studied by Solid-State 13C NMR Spectroscopy and X-Ray Crystallography","Acta Chemica Scandinavica","1996","50","","48","53","10.3891/acta.chem.scand.50-0048","","x-ray","0.71069","MoKα","","","0.052","","","0.038","","","","","","","1.59","","","","has coordinates","248365","2020-10-21","18:00:00",""
"1557364","14.076","0.004","6.153","0.001","14.437","0.002","90","","110.92","0.02","90","","1168","0.4","","","136","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Methyl 2-(2,2-dicyano-1-methylethenyl)benzoate","","","- C13 H10 N2 O2 -","- C13 N2 O2 -","- C52 N8 O8 -","4","1","","Romming, Christian; Kolsaker, Per; Wiberg, Are; Skjetne, Tore","Atropisomerism in 2-(2,2-Dicyano-1-methylethenyl)benzoic Acid and 3-(2,2-Dicyano-1-methylethenyl)thiophene-2-carboxylic Acid Studied by Solid-State 13C NMR Spectroscopy and X-Ray Crystallography","Acta Chemica Scandinavica","1996","50","","48","53","10.3891/acta.chem.scand.50-0048","","x-ray","0.71069","MoKα","","","0.048","","","0.054","","","","","","","2.6","","","","has coordinates","248366","2020-10-21","18:00:00",""
"1557365","11.058","0.002","14.628","0.003","12.713","0.002","90","","97.98","0.01","90","","2036.5","0.6","","","136","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3-(2,2-Dicyano-l-methylethenyl)thiophene-2-carboxylic acid","","","- C10 H6 N2 O2 S -","- C10 N2 O2 S -","- C80 N16 O16 S8 -","8","2","","Romming, Christian; Kolsaker, Per; Wiberg, Are; Skjetne, Tore","Atropisomerism in 2-(2,2-Dicyano-1-methylethenyl)benzoic Acid and 3-(2,2-Dicyano-1-methylethenyl)thiophene-2-carboxylic Acid Studied by Solid-State 13C NMR Spectroscopy and X-Ray Crystallography","Acta Chemica Scandinavica","1996","50","","48","53","10.3891/acta.chem.scand.50-0048","","x-ray","0.71069","MoKα","","","0.038","","","0.042","","","","","","","2.16","","","","has coordinates","248367","2020-10-21","18:00:00",""
"1557366","8.304","0.002","15.842","0.003","33.4","0.008","90","","90","","90","","4393.8","1.7","","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","5,8,11,14-tetrathia[9]helicene","","","- C30 H14 S4 -","- C30 S4 -","- C240 S32 -","8","1","","Larsen, Jan; Dolbecq, Anne; Bechgaard, Klaus","Thiaheterohelicenes. 3. Donor Properties of a Series of Benzene-Capped Thiaheterohelicenes. Structure of a Tetrathianonahelicene and its TCNQ Salt","Acta Chemica Scandinavica","1996","50","","83","89","10.3891/acta.chem.scand.50-0083","","x-ray","0.71069","MoKα","","","0.052","","","0.073","","","","","","","","","","","has coordinates","248368","2020-10-21","18:00:00",""
"1557367","20.049","0.005","15.258","0.003","10.96","0.001","90","","103.78","0.02","90","","3256.2","1.1","","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","5,8,11,14-tetrathia[9]helicene:(TCNQ)","","","- C42 H18 N4 S4 -","- C42 N4 S4 -","- C168 N16 S16 -","4","0.5","","Larsen, Jan; Dolbecq, Anne; Bechgaard, Klaus","Thiaheterohelicenes. 3. Donor Properties of a Series of Benzene-Capped Thiaheterohelicenes. Structure of a Tetrathianonahelicene and its TCNQ Salt","Acta Chemica Scandinavica","1996","50","","83","89","10.3891/acta.chem.scand.50-0083","","x-ray","0.71069","MoKα","","","0.038","","","0.049","","","","","","","","","","","has coordinates","248370","2020-10-21","18:00:00",""
"1557418","9.197","0.003","8.357","0.002","14.49","0.005","103.98","0.02","90.95","0.02","93.41","0.01","1078.2","0.6","","","249","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H48.56 Cu2 N8 O15.28 S2 -","- C36 Cu2 N8 O15.28 S2 -","- C36 Cu2 N8 O15.28 S2 -","1","0.5","","Dossing, Anders; Hazell, Alan; Toftlund, Hans","Crystal Structures of Dinuclear Copper(II) and Oxovanadium(IV) Complexes of N,N,N',N'-Tetrakis(2-pyridylmethyl)-6,6'-bis(aminomethyl)-2,2'-bipyridine","Acta Chemica Scandinavica","1996","50","","95","101","10.3891/acta.chem.scand.50-0095","","x-ray","0.71073","MoKα","","","0.058","","","0.065","","","","","","","1.35","","","","has coordinates","248582","2020-10-21","18:00:00",""
"1557419","16.71","0.003","10.813","0.002","13.845","0.002","100.76","0.01","95.42","0.01","102.89","0.01","2371.4","0.7","","","249","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H43.98 Cl2 N8 O18.99 S V2 -","- C36 Cl2 N8 O18.99 S V2 -","- C72 Cl4 N16 O37.98 S2 V4 -","2","1","","Dossing, Anders; Hazell, Alan; Toftlund, Hans","Crystal Structures of Dinuclear Copper(II) and Oxovanadium(IV) Complexes of N,N,N',N'-Tetrakis(2-pyridylmethyl)-6,6'-bis(aminomethyl)-2,2'-bipyridine","Acta Chemica Scandinavica","1996","50","","95","101","10.3891/acta.chem.scand.50-0095","","x-ray","0.71073","MoKα","","","0.064","","","0.076","","","","","","","1.75","","","","has coordinates","248583","2020-10-21","18:00:00",""
"1557420","11.551","0.002","16.759","0.005","14.541","0.009","90","","98.68","0.03","90","","2783","2","","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Bu4N[Pt(ppy)Cl2]","","","- C27 H44 Cl2 N2 Pt -","- C27 Cl2 N2 Pt -","- C108 Cl8 N8 Pt4 -","4","1","","Kvam, Per-Inge; Engebretsen, Thoralf; Maartmann-Moe, Knut; Songstad, Jon","Crystal Structures of Bu4N[Pt(ppy)Cl2], Et4N[Pt(tpy)Cl2] and [Pt(ppy)en]Cl (ppy = N,C'-Chelated 2-Phenylpyridinate, tpy = N,C'-Chelated 2-(2'-Thienyl)pyridinate, en = N,N'-Chelated 1,2-Diaminoethane).","Acta Chemica Scandinavica","1996","50","","107","113","10.3891/acta.chem.scand.50-0107","","x-ray","0.71069","MoKα","","","0.038","","","0.031","","","","","","","1.405","","","","has coordinates","248585","2020-10-21","18:00:00",""
"1557421","8.996","0.002","25.085","0.002","9.103","0.002","90","","110.6","0.01","90","","1922.9","0.6","","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Et4N[Pt(tpy)Cl2]","","","- C17 H26 Cl2 N2 Pt S -","- C16.8 Cl2 N2 Pt S1.1 -","- C67.2 Cl8 N8 Pt4 S4.4 -","4","1","","Kvam, Per-Inge; Engebretsen, Thoralf; Maartmann-Moe, Knut; Songstad, Jon","Crystal Structures of Bu4N[Pt(ppy)Cl2], Et4N[Pt(tpy)Cl2] and [Pt(ppy)en]Cl (ppy = N,C'-Chelated 2-Phenylpyridinate, tpy = N,C'-Chelated 2-(2'-Thienyl)pyridinate, en = N,N'-Chelated 1,2-Diaminoethane).","Acta Chemica Scandinavica","1996","50","","107","113","10.3891/acta.chem.scand.50-0107","","x-ray","0.71069","MoKα","","","0.029","","","0.031","","","","","","","1.341","","","","has coordinates","248586","2020-10-21","18:00:00",""
"1557422","8.5675","0.0009","15.971","0.002","18.875","0.004","90","","90","","90","","2582.7","0.7","","","93","","","","","","","","","5","P c a b","-P 2bc 2ac","61","[Pt(ppy)en]Cl","","","- C13 H16 Cl N3 Pt -","- C13 Cl N3 Pt -","- C104 Cl8 N24 Pt8 -","8","1","","Kvam, Per-Inge; Engebretsen, Thoralf; Maartmann-Moe, Knut; Songstad, Jon","Crystal Structures of Bu4N[Pt(ppy)Cl2], Et4N[Pt(tpy)Cl2] and [Pt(ppy)en]Cl (ppy = N,C'-Chelated 2-Phenylpyridinate, tpy = N,C'-Chelated 2-(2'-Thienyl)pyridinate, en = N,N'-Chelated 1,2-Diaminoethane).","Acta Chemica Scandinavica","1996","50","","107","113","10.3891/acta.chem.scand.50-0107","","x-ray","0.71069","MoKα","","","0.029","","","0.03","","","","","","","1.394","","","","has coordinates","248587","2020-10-21","18:00:00",""
"1557423","6.786","0.001","11.817","0.005","16.18","0.002","90","","90","","90","","1297.5","0.6","","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-Methoxy-4-methyl-r-3-nitro-c-6-trinitro-methylcyclohexa-1,4-diene","","","- C9 H10 N4 O9 -","- C9 N4 O8 -","- C36 N16 O32 -","4","1","","Butts, Craig P.; Eberson, Lennart; Hartshorn, Michael P.; Robinson, Ward T.","Photochemical Nitration by Tetranitromethane. Part XXVII. Adduct Formation in the Photochemical Reaction of 4-Methylanisole. Solvent and Temperature Effects on the Regiochemistry of Reaction of the Radical Cation of 4-Methylanisole","Acta Chemica Scandinavica","1996","50","","122","131","10.3891/acta.chem.scand.50-0122","","x-ray","0.71073","MoKα","","","0.028","","","0.066","","","","","","","","","","","has coordinates","248588","2020-10-21","18:00:00",""
"1557431","8.049","0.002","9.134","0.002","15.488","0.003","94.22","0.03","97.53","0.03","92.97","0.03","1123.6","0.4","","","193","","","","","","","","","5","P -1","-P 1","2","[Ni(CTH)(NCS)2]","","","- C18 H36 N6 Ni S2 -","- C18 N6 Ni S2 -","- C36 N12 Ni2 S4 -","2","1","","Colacio, Enrique; Dominquez-Vera, Jose M.; Escuer, Albert; Kivekas, Raikko; Klinga, Martti; Romerosa, Antonio","Crystal Structure of [Ni(CTH)(NCS)2] with Linearly and Nonlinearly Coordinated Isothiocyanate Groups","Acta Chemica Scandinavica","1996","50","","178","180","10.3891/acta.chem.scand.50-0178","","x-ray","0.71073","MoKα","","","0.0759","","","0.1749","","","","","","","","","","","has coordinates","248645","2020-10-21","18:00:00",""
"1557432","9.5811","0.0006","4.435","0.0006","15.5616","0.0006","90","","106.922","0.004","90","","632.62","0.1","","","296","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","trans-Diamminedihydroxoplatinum(II) Dihydrate","","","- H12 N2 O4 Pt -","- N2 O4 Pt -","- N8 O16 Pt4 -","4","1","","Arpalahti, Jorma; Sillanpaa, Reijo; Barnham, Kevin J.; Sadler, Peter J.","X-Ray Crystal Structure Determination and Spectroscopic Characterization of trans-Diamminedihydroxoplatinum(II) Dihydrate","Acta Chemica Scandinavica","1996","50","","181","184","10.3891/acta.chem.scand.50-0181","","x-ray","0.71069","MoKα","","","0.031","","","0.048","","","","","","","","","","","has coordinates","248646","2020-10-21","18:00:00",""
"1557433","7.6742","0.0008","7.6742","0.0008","28.114","0.006","90","","90","","90","","1655.7","0.4","","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Dibromobis(2,4-dimethylpyridine)cobalt(II)","","","- C14 H18 Br2 Co N2 -","- C14 Br2 Co N2 -","- C56 Br8 Co4 N8 -","4","1","","Kansikas, Jarno; Leskela, Markku; Kenessey, Gabor; Wadsten, Tommy; Liptay, Gyorgy","Pyridine-Type Complexes of Transition-Metal Halides. IX. Preparation and Characterization of 2,4- and 3,4-Dimethylpyridine Complexes of Cobalt(II) Bromide: the Crystal Structure of Dibromobis(2,4-dimethylpyridine)cobalt(II) and Bromotetrakis(3,4-dimethylpyridine)cobalt(II) Bromide","Acta Chemica Scandinavica","1996","50","","267","274","10.3891/acta.chem.scand.50-0267","","x-ray","0.71069","MoKα","","","0.0638","","","0.0861","","","","","","","0.73","","","","has coordinates","248648","2020-10-21","18:00:00",""
"1557434","14.817","0.003","13.29","0.003","14.871","0.003","90","","90.55","0.03","90","","2928.2","1.1","","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Bromotetrakis(3,4-dimethylpyridine)cobalt(II) Bromide","","","- C28 H36 Br2 Co N4 -","- C28 Br2 Co N4 -","- C112 Br8 Co4 N16 -","4","0.5","","Kansikas, Jarno; Leskela, Markku; Kenessey, Gabor; Wadsten, Tommy; Liptay, Gyorgy","Pyridine-Type Complexes of Transition-Metal Halides. IX. Preparation and Characterization of 2,4- and 3,4-Dimethylpyridine Complexes of Cobalt(II) Bromide: the Crystal Structure of Dibromobis(2,4-dimethylpyridine)cobalt(II) and Bromotetrakis(3,4-dimethylpyridine)cobalt(II) Bromide","Acta Chemica Scandinavica","1996","50","","267","274","10.3891/acta.chem.scand.50-0267","","x-ray","0.71069","MoKα","","","0.0602","","","0.0808","","","","","","","0.77","","","","has coordinates","248649","2020-10-21","18:00:00",""
"1557460","10.953","0.003","5.152","0.001","6.426","0.001","90","","90","","90","","362.62","0.13","","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O5 S Ti -","- O5 S Ti -","- O20 S4 Ti4 -","4","0.5","","Ahmed, M. A. K.; Fjellvag, H.; Kjekshus, A.","Syntheses and Crystal Structures of Titanium Oxide Sulfates","Acta Chemica Scandinavica","1996","50","","275","283","10.3891/acta.chem.scand.50-0275","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","","","","","","1.72","","","","has coordinates","248759","2020-10-21","18:00:00",""
"1557461","9.828","0.001","5.134","0.001","8.613","0.001","90","","90","","90","","434.59","0.11","","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- H2 O6 S Ti -","- O6 S Ti -","- O24 S4 Ti4 -","4","0.5","","Ahmed, M. A. K.; Fjellvag, H.; Kjekshus, A.","Syntheses and Crystal Structures of Titanium Oxide Sulfates","Acta Chemica Scandinavica","1996","50","","275","283","10.3891/acta.chem.scand.50-0275","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","","","","","","2.41","","","","has coordinates","248760","2020-10-21","18:00:00",""
"1557462","8.2023","0.0006","8.2023","0.0006","8.2023","0.0006","90","","90","","90","","551.83","0.07","","","293","","","","","","","","","3","P 43 3 2","P 4acd 2ab 3","212","LiGaO8","","","- Ga5 Li O8 -","- Ga1.998 Li0.332 O6.666 -","- Ga7.992 Li1.328 O26.664 -","4","0.166667","","Ahman, Johan; Svensson, Goran; Albertsson, Jorgen","Structure of LiGa5O8","Acta Chemica Scandinavica","1996","50","","391","394","10.3891/acta.chem.scand.50-0391","","x-ray","0.71069","MoKα","","","0.036","","","0.044","","","","","","","1.44","","","","has coordinates","248761","2020-10-21","18:00:00",""
"1557463","8.681","0.002","10.533","0.003","14.06","0.002","90","","104.26","0.02","90","","1246","0.5","","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[C6H5(CH3)3N]2[SeBr6]","","","- C18 H28 Br6 N2 Se -","- C18 Br6 N2 -","- C36 Br12 N4 -","2","0.5","","Hauge, Sverre; Maroy, Kjartan","Syntheses and Crystal Structures of Phenyltrimethylammonium Salts of Hexabromoselenate(IV), [C6H5(CH3)3N]2[SeBr6], and catena-poly[(Di-mu-bromobis{tetrabromotellurate(IV)})-mu-bromine], [C6H5(CH3)3N]2n[Se2Br10.Br2]n","Acta Chemica Scandinavica","1996","50","","399","404","10.3891/acta.chem.scand.50-0399","","x-ray","0.71069","MoKα","","","0.03","","","0.028","","","","","","","1.09","","","","has coordinates","248762","2020-10-21","18:00:00",""
"1557464","8.698","0.001","8.931","0.001","11.563","0.001","94.74","0.01","101.87","0.02","90.47","0.02","875.73","0.17","","","293","","","","","","","","","5","P -1","-P 1","2","catena-poly[(Di-mu-bromobis{tetrabromotellurate(IV)})-mu-bromine], [C6H5(CH3)3N]2n[Se2Br10.Br2]n","","","- C18 H28 Br12 N2 Se2 -","- C18 Br12 N2 Se2 -","- C18 Br12 N2 Se2 -","1","0.5","","Hauge, Sverre; Maroy, Kjartan","Syntheses and Crystal Structures of Phenyltrimethylammonium Salts of Hexabromoselenate(IV), [C6H5(CH3)3N]2[SeBr6], and catena-poly[(Di-mu-bromobis{tetrabromotellurate(IV)})-mu-bromine], [C6H5(CH3)3N]2n[Se2Br10.Br2]n","Acta Chemica Scandinavica","1996","50","","399","404","10.3891/acta.chem.scand.50-0399","","x-ray","0.71069","MoKα","","","0.06","","","0.046","","","","","","","1.4","","","","has coordinates","248763","2020-10-21","18:00:00",""
"1557479","6.507","0.009","7.182","0.007","24.3","0.008","90","","95.02","0.07","90","","1131","2","","","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","trans-Di(benzoato-O)bis(1,3-diamino-2-hydroxypropane-N,N')copper(II)","","","- C20 H30 Cu N4 O6 -","- C20 Cu N4 O6 -","- C40 Cu2 N8 O12 -","2","0.5","","Sundberg, Markku R.; Klinga, Martti; Uggla, Rolf; Bockelmann, Wolfgang; Valo, Jaana","Crystal and Molecular Structure of trans-Di(benzoato-O)bis(1,3-diamino-2-hydroxypropane-N,N')copper(II) at 193 and 296 K","Acta Chemica Scandinavica","1996","50","","405","410","10.3891/acta.chem.scand.50-0405","","x-ray","0.71073","MoKα","","","0.044","","","0.047","","","","","","","","","","","has coordinates","249074","2020-10-21","18:00:00",""
"1557480","6.519","0.002","7.205","0.002","24.445","0.005","90","","95.12","0.02","90","","1143.6","0.5","","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","trans-Di(benzoato-O)bis(1,3-diamino-2-hydroxypropane-N,N')copper(II)","","","- C20 H30 Cu N4 O6 -","- C20 Cu N4 O6 -","- C40 Cu2 N8 O12 -","2","0.5","","Sundberg, Markku R.; Klinga, Martti; Uggla, Rolf; Bockelmann, Wolfgang; Valo, Jaana","Crystal and Molecular Structure of trans-Di(benzoato-O)bis(1,3-diamino-2-hydroxypropane-N,N')copper(II) at 193 and 296 K","Acta Chemica Scandinavica","1996","50","","405","410","10.3891/acta.chem.scand.50-0405","","x-ray","0.71073","MoKα","","","0.049","","","0.045","","","","","","","","","","","has coordinates","249075","2020-10-21","18:00:00",""
"1557489","29.873","0.005","7.662","0.002","9.192","0.002","90","","91.75","0.02","90","","2102.9","0.8","","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","[5]TH","","","- C23 H12 N2 O6 S3 -","- C23 N2 O6 S3 -","- C92 N8 O24 S12 -","4","1","","Yamada, Koh-ichi; Oguma, Eiji; Nakagawa, Hiroko; Kawazura, Hiroshi; Miyamae, Hiroshi","Structure of the 1:1 Charge-Transfer Complex between Trithia[5]heterohelicene and 3,5-Dinitrobenzoic Acid. Deformation of Helicene Molecules in Crystals","Acta Chemica Scandinavica","1996","50","","438","442","10.3891/acta.chem.scand.50-0438","","x-ray","0.71069","MoKα","","","0.074","","","0.079","","","","","","","","","","","has coordinates","249079","2020-10-21","18:00:00",""
"1557520","18.597","0.003","10.897","0.006","20.677","0.005","90","","112.91","0.02","90","","3860","2","","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[CuCl{1,2-[P(OEt)2)2-1,2-C2Bi0H10}(PPh3)]","","","- C28 H45 B10 Cl Cu O4 P3 -","- C28 B10 Cl Cu O4 P3 -","- C112 B40 Cl4 Cu4 O16 P12 -","4","1","","Kivekas, Raikko; Sillanpaa, Reijo; Teixidor, Francesc; Vinas, Clara; Abad, M. Mar","Copper(I) Chloride Complexes of 1,2-Bis(disubstituted phosphino)-1,2-dicarba-closo-dodecaboranes and Crystal Structure of Chloro-[1,2-bis(diethoxyphosphino)-1,2-dicarba-closo- dodecaborane]triphenylphosphinecopper(I)","Acta Chemica Scandinavica","1996","50","","499","504","10.3891/acta.chem.scand.50-0499","","x-ray","0.71069","MoKα","","","0.051","","","0.06","","","","","","","1.82","","","","has coordinates","249122","2020-10-21","18:00:00",""
"1557521","9.682","0.002","5.247","0.001","11.93","0.002","90","","90.57","0.01","90","","606","0.2","","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","L-Valine","","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","2","","Dalhus, Bjorn; Gorbitz, Carl Henrik","Crystal Structures of Hydrophobic Amino Acids. I. Redeterminations of L-Methionine and L-Valine at 120 K","Acta Chemica Scandinavica","1996","50","","544","548","10.3891/acta.chem.scand.50-0544","","x-ray","0.71069","MoKα","","","0.034","","","0.038","","","","","","","2.17","","","","has coordinates","249123","2020-10-21","18:00:00",""
"1557554","12.16","0.003","8.519","0.002","27.78","0.01","90","","90","","90","","2877.8","1.4","","","163","","","","","","","","","4","P c a 21","P 2c -2ac","29","t-2-Nitro-r-1-trinitromethyl-1,2-dihydrodibenzofuran","","","- C13 H8 N4 O9 -","- C13 N4 O9 -","- C104 N32 O72 -","8","2","","Butts, Craig P.; Eberson, Lennart; Hartshorn, Michael P.; Robinson, Ward T.; Wood, Bryan R.","Photochemical Nitration by Tetranitromethane. Part XXX. Product Isolation and Identification in the Photochemical Reaction of Dibenzofuran","Acta Chemica Scandinavica","1996","50","","587","595","10.3891/acta.chem.scand.50-0587","","x-ray","0.71069","MoKα","","","0.034","","","","0.057","","","","","","","","","","has coordinates","249190","2020-10-21","18:00:00",""
"1557555","9.386","0.004","10.914","0.004","26.294","0.009","90","","90","","90","","2693.5","1.8","","","166","","","","","","","","","4","P c c n","-P 2ab 2ac","56","c-4-Hydroxy-r-1-trinitromethyl-1,4-dihydrodibenzofuran","","","- C13 H9 N3 O8 -","- C13 N3 O8 -","- C104 N24 O64 -","8","1","","Butts, Craig P.; Eberson, Lennart; Hartshorn, Michael P.; Robinson, Ward T.; Wood, Bryan R.","Photochemical Nitration by Tetranitromethane. Part XXX. Product Isolation and Identification in the Photochemical Reaction of Dibenzofuran","Acta Chemica Scandinavica","1996","50","","587","595","10.3891/acta.chem.scand.50-0587","","x-ray","0.71069","MoKα","","","0.079","","","","0.093","","","","","","","","","","has coordinates","249193","2020-10-21","18:00:00",""
"1557556","12.296","0.004","6.893","0.004","16.337","0.006","90","","108.83","0.01","90","","1310.6","1","","","163","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Trinitromethyldibenzofuran","","","- C13 H7 N3 O7 -","- C13 N3 O7 -","- C52 N12 O28 -","4","1","","Butts, Craig P.; Eberson, Lennart; Hartshorn, Michael P.; Robinson, Ward T.; Wood, Bryan R.","Photochemical Nitration by Tetranitromethane. Part XXX. Product Isolation and Identification in the Photochemical Reaction of Dibenzofuran","Acta Chemica Scandinavica","1996","50","","587","595","10.3891/acta.chem.scand.50-0587","","x-ray","0.71069","MoKα","","","0.05","","","","0.148","","","","","","","","","","has coordinates","249192","2020-10-21","18:00:00",""
"1557557","7.294","0.003","12.223","0.006","12.428","0.004","108.58","0.04","97.26","0.03","97.01","0.04","1026.2","0.8","","","95","","","","","","","","","6","P -1","-P 1","2","[Cu(bpy)(atth)(H2O)](NO3)2.3H2O","","","- C12 H20 Cu N8 O10 S -","- C12 Cu N8 O10 S -","- C24 Cu2 N16 O20 S2 -","2","1","","Heldal, Hilde E.; Sletten, Jorunn","Syntheses and Structure Determinations of Two Copper(II)‒Thione Complexes","Acta Chemica Scandinavica","1996","50","","596","602","10.3891/acta.chem.scand.50-0596","","x-ray","0.71073","MoKα","","","0.029","","","0.036","","","","","","","1.299","","","","has coordinates","249194","2020-10-21","18:00:00",""
"1557558","9.746","0.001","10.37","0.002","12.576","0.002","68.21","0.01","68.52","0.01","62.53","0.01","1017.4","0.3","","","103","","","","","","","","","6","P -1","-P 1","2","[Cu(bpy)(imthim)(NO3)](NO3).H2O","","","- C16 H20 Cu N8 O7 S -","- C16 Cu N8 O7 S -","- C32 Cu2 N16 O14 S2 -","2","1","","Heldal, Hilde E.; Sletten, Jorunn","Syntheses and Structure Determinations of Two Copper(II)‒Thione Complexes","Acta Chemica Scandinavica","1996","50","","596","602","10.3891/acta.chem.scand.50-0596","","x-ray","0.71073","MoKα","","","0.034","","","0.035","","","","","","","1.194","","","","has coordinates","249195","2020-10-21","18:00:00",""
"1557559","11.754","0.002","13.091","0.003","15.129","0.004","76.32","0.02","84.56","0.02","63.5","0.01","2024.1","0.8","","","138","","","","","","","","","6","P -1","-P 1","2","Sodium Diatrizoate","","","- C11 H16 I3 N2 Na O8 -","- C11 I3 N2 Na O8.25 -","- C44 I12 N8 Na4 O33 -","4","2","","Tonnesen, Lisbeth Ehnebom; Pedersen, Berit Fjaertoft; Klaveness, Jo","Molecular and Crystal Structure of Sodium Diatrizoate, an X-Ray Contrast Agent","Acta Chemica Scandinavica","1996","50","","603","608","10.3891/acta.chem.scand.50-0603","","x-ray","0.71069","MoKα","","","0.027","","","0.028","","","","","","","2.25","","","","has coordinates","249196","2020-10-21","18:00:00",""
"1557563","15.523","0.002","9.179","0.002","23.876","0.004","90","","104.74","0.01","90","","3290","1","","","138","","","","","","","","","4","P 1 21 1","P 2yb","4","N-(4,4-Dicyano-3-phenyl-1,3-butadieny1)-N,2,2-trimethyl-propanamide","","","- C18 H19 N3 O -","- C18 N3 O -","- C144 N24 O8 -","8","4","","Kolsaker, Per; Karlsen, Hege; Romming, Christian","Reaction between 2-Phenyl-1,1-dicyanoallyl Anion and N-Methyl-2,2-dimethylpropionitrilium and N1,N2,N2-Trimethyl-2,2-dimethylpropionylamidinium Trifluoromethanesulfonates","Acta Chemica Scandinavica","1996","50","","623","632","10.3891/acta.chem.scand.50-0623","","x-ray","0.71069","MoKα","","","0.043","","","0.043","","","","","","","2.06","","","","has coordinates","249226","2020-10-21","18:00:00",""
"1557564","7.641","0.002","11.088","0.002","14.632","0.003","90","","90","","90","","1239.7","0.5","","","138","","","","","","","","","3","P n a 21","P 2c -2n","33","(3-(N,N-Dimethylamino)-1-pheny1-2-propenylidene)propanedinitrile","","","- C14 H13 N3 -","- C14 N3 -","- C56 N12 -","4","1","","Kolsaker, Per; Karlsen, Hege; Romming, Christian","Reaction between 2-Phenyl-1,1-dicyanoallyl Anion and N-Methyl-2,2-dimethylpropionitrilium and N1,N2,N2-Trimethyl-2,2-dimethylpropionylamidinium Trifluoromethanesulfonates","Acta Chemica Scandinavica","1996","50","","623","632","10.3891/acta.chem.scand.50-0623","","x-ray","0.71069","MoKα","","","0.045","","","0.05","","","","","","","2.6","","","","has coordinates","249227","2020-10-21","18:00:00",""
"1557565","8.317","0.001","10.277","0.002","33.1","0.002","90","","94.9","0.01","90","","2818.8","0.7","","","151","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1, 2, 3, 4-Tetramethyl-r-3-nitro-c-6-trinitromethylcyclo-hexa-1,4-diene","","","- C11 H14 N4 O8 -","- C11 N4 O8 -","- C88 N32 O64 -","8","1","","Butts, Craig P.; Eberson, Lennart; Fulton, Karen L.; Hartshorn, Michael P.; Jamieson, Geoffrey B.; Robinson, Ward T.","Photochemical Nitration by Tetranitromethane, Part XXXI. The Photochemical Reaction of 1,2,3,4-Tetramethylbenzene and Tetranitromethane","Acta Chemica Scandinavica","1996","50","","735","744","10.3891/acta.chem.scand.50-0735","","x-ray","0.71069","MoKα","","","0.038","","","0.044","","","","","","","","","","","has coordinates","249228","2020-10-21","18:00:00",""
"1557566","9.846","0.005","16.829","0.007","15.585","0.008","90","","90.25","0.03","90","","2582","2","","","166","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,3,4,5-Tetramethyl-1-trinitromethylbenzene","","","- C11 H13 N3 O6 -","- C11 N3 O6 -","- C88 N24 O48 -","8","2","","Butts, Craig P.; Eberson, Lennart; Fulton, Karen L.; Hartshorn, Michael P.; Jamieson, Geoffrey B.; Robinson, Ward T.","Photochemical Nitration by Tetranitromethane, Part XXXI. The Photochemical Reaction of 1,2,3,4-Tetramethylbenzene and Tetranitromethane","Acta Chemica Scandinavica","1996","50","","735","744","10.3891/acta.chem.scand.50-0735","","x-ray","0.71069","MoKα","","","0.098","","","","0.314","","","","","","","","","","has coordinates","249229","2020-10-21","18:00:00",""
"1557574","26.69","0.004","6.482","0.002","23.001","0.003","90","","122.15","0.01","90","","3369.1","1.3","","","122","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Diphenylbis(diphenyldithiophosphinato)lead(IV), PbPh2(S2PPh2)2","","","- C36 H30 P2 Pb S4 -","- C36 P2 Pb S4 -","- C144 P8 Pb4 S16 -","4","0.5","","Olafsson, Sigurjon Norberg; Petersen, Thomas Nordahl; Andersen, Peter","Crystal Structure of Diphenylbis(diphenyldithiophosphinato)lead(IV), PbPh2(S2PPh2)2","Acta Chemica Scandinavica","1996","50","","745","748","10.3891/acta.chem.scand.50-0745","","x-ray","0.71073","MoKα","","","0.032","","","","0.078","","","","","","1.105","","","","has coordinates","249277","2020-10-21","18:00:00",""
"1557575","26.899","0.018","6.559","0.004","23.181","0.01","90","","122.27","0.04","90","","3458","4","","","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Diphenylbis(diphenyldithiophosphinato)lead(IV), PbPh2(S2PPh2)2","","","- C36 H30 P2 Pb S4 -","- C36 P2 Pb S4 -","- C144 P8 Pb4 S16 -","4","0.5","","Olafsson, Sigurjon Norberg; Petersen, Thomas Nordahl; Andersen, Peter","Crystal Structure of Diphenylbis(diphenyldithiophosphinato)lead(IV), PbPh2(S2PPh2)2","Acta Chemica Scandinavica","1996","50","","745","748","10.3891/acta.chem.scand.50-0745","","x-ray","1.5418","CuKα","","","0.032","","","","0.078","","","","","","1.105","","","","has coordinates","249278","2020-10-21","18:00:00",""
"1557576","16.214","0.003","17.3","0.003","18.967","0.004","90","","90","","90","","5320.3","1.8","","","193","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Bis(dibenzoylmethanate)dichlorotitanium(IV)","","","- C30 H22 Cl2 O4 Ti -","- C30 Cl2 O4 Ti -","- C240 Cl16 O32 Ti8 -","8","1","","Matilainen, Leena; Mutikainen, Ilpo; Leskela, Markku","Group 4 Metal Alkoxo Complexes as Catalysts for Olefin Polymerization: Synthesis and Crystal Structure of Bis(dibenzoylmethanate)dichlorotitanium(IV)","Acta Chemica Scandinavica","1996","50","","755","758","10.3891/acta.chem.scand.50-0755","","x-ray","0.71073","MoKα","","0.1742","0.0889","","","0.1821","0.2394","","","","","","0.918","","","","has coordinates","249279","2020-10-21","18:00:00",""
"1557577","9.728","0.001","19.192","0.004","17.099","0.003","90","","105.12","0.01","90","","3081.9","0.9","","","143","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Bromo[N-methylbenzothiazole-2(3H)-selone]phenyltellurium(II)","","","- C14 H12 Br N S Se Te -","- C14 Br N S Se Te -","- C112 Br8 N8 S8 Se8 Te8 -","8","2","","Rudd, Martin D.; Lindeman, Sergey V.; Husebye, Steinar","Structural Characteristics of Three-Coordinate Arylhalide Tellurium(II) Complexes with Chalcogen Ligands. Synthesis, Spectroscopic Characterization and X-Ray Structural Studies of Bromo[N-methylbenzothiazole-2(3H)-selone]phenyltellurium(II), Bromophenyl[tris(dimethylamino)phosphaneselenide]tellurium(II) and Tris(dimethylamino)Phosphanesulfide","Acta Chemica Scandinavica","1996","50","","759","774","10.3891/acta.chem.scand.50-0759","","x-ray","0.71069","MoKα","","0.0836","0.0345","","","0.0842","0.124","","","","","","1.02","","","","has coordinates","249280","2020-10-21","18:00:00",""
"1557578","9.718","0.002","17.043","0.003","11.983","0.002","90","","105.83","0.03","90","","1909.4","0.7","","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Bromophenyl[tris(dimethylamino)phosphaneselenide]tellurium(II)","","","- C12 H23 Br N3 P Se Te -","- C12 Br N3 P Se Te -","- C48 Br4 N12 P4 Se4 Te4 -","4","1","","Rudd, Martin D.; Lindeman, Sergey V.; Husebye, Steinar","Structural Characteristics of Three-Coordinate Arylhalide Tellurium(II) Complexes with Chalcogen Ligands. Synthesis, Spectroscopic Characterization and X-Ray Structural Studies of Bromo[N-methylbenzothiazole-2(3H)-selone]phenyltellurium(II), Bromophenyl[tris(dimethylamino)phosphaneselenide]tellurium(II) and Tris(dimethylamino)Phosphanesulfide","Acta Chemica Scandinavica","1996","50","","759","774","10.3891/acta.chem.scand.50-0759","","x-ray","0.71069","MoKα","","0.0615","0.0357","","","0.0843","0.0993","","","","","","1.083","","","","has coordinates","249281","2020-10-21","18:00:00",""
"1557579","8.347","0.002","11.369","0.002","11.26","0.002","90","","92.94","0.03","90","","1067.1","0.4","","","143","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Tris(dimethylamino)Phosphanesulfide","","","- C6 H18 N3 P S -","- C6 N3 P S -","- C24 N12 P4 S4 -","4","1","","Rudd, Martin D.; Lindeman, Sergey V.; Husebye, Steinar","Structural Characteristics of Three-Coordinate Arylhalide Tellurium(II) Complexes with Chalcogen Ligands. Synthesis, Spectroscopic Characterization and X-Ray Structural Studies of Bromo[N-methylbenzothiazole-2(3H)-selone]phenyltellurium(II), Bromophenyl[tris(dimethylamino)phosphaneselenide]tellurium(II) and Tris(dimethylamino)Phosphanesulfide","Acta Chemica Scandinavica","1996","50","","759","774","10.3891/acta.chem.scand.50-0759","","x-ray","0.71069","MoKα","","0.0635","0.0342","","","0.0972","0.1493","","","","","","1.073","","","","has coordinates","249282","2020-10-21","18:00:00",""
"1557588","19.487","0.006","7.935","0.003","20.351","0.005","90","","131.39","0.02","90","","2360.9","1.5","","","120","","","","","","","","","4","C 1 2 1","C 2y","5","L-Glutamic Acid.2-Methylimidazole","","","- C9 H15.5 N3 O4.25 -","- C9 N3 O4.25 -","- C72 N24 O34 -","8","2","","Gorbitz, Carl Henrik; Husdal, Johanne","Cocrystallizing Agents for Amino Acids. I. The Crystal Structure of L-Glutamic Acid.2-Methylimidazole","Acta Chemica Scandinavica","1996","50","","796","801","10.3891/acta.chem.scand.50-0796","","x-ray","0.71069","MoKα","","","0.046","","","","0.124","","","","","","1.045","","","","has coordinates","249322","2020-10-21","18:00:00",""
"1557589","26.07","0.04","8.848","0.018","20.62","0.03","90","","139.61","0.07","90","","3082","10","","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,2',3,4,4',5'-hexabromo-diphenyl ether","","","- C12 H4 Br6 O -","- C12 Br6 O -","- C96 Br48 O8 -","8","1","","Orn, Ulrika; Eriksson, Lars; Jakobsson, Eva; Bergman, Ake","Synthesis and Characterization of Polybrominated Diphenyl Ethers ‒ Unlabelled and Radiolabelled Tetra-, Penta- and Hexabromodiphenyl Ethers","Acta Chemica Scandinavica","1996","50","","802","807","10.3891/acta.chem.scand.50-0802","","x-ray","0.71069","MoKα","","0.1147","0.0458","","","0.0827","0.1058","","","","","","1","","","","has coordinates","249323","2020-10-21","18:00:00",""
"1557590","9.788","0.003","10.185","0.006","11.213","0.003","83.82","0.04","81.25","0.02","85.72","0.04","1096.5","0.8","","","103","","","","","","","","","4","P -1","-P 1","2","(E)-[7-(Ferrocenylmethylene)-4,5,6,7-tetrahydro-1-methyl- 1H-indazol-3-yl]ferrocene","","","- C29 H28 Fe2 N2 -","- C29 Fe2 N2 -","- C58 Fe4 N4 -","2","1","","Bozak, Richard E.; Coleman, Thomas; Husebye, Steinar; Lindeman, Sergey V.","Synthesis and Crystal Structure of (E)-[7-(Ferrocenylmethylene)-4,5,6,7-tetrahydro-1-methyl- 1H-indazol-3-yl]ferrocene, C29H28Fe2N2","Acta Chemica Scandinavica","1996","50","","842","844","10.3891/acta.chem.scand.50-0842","","x-ray","0.71069","MoKα","","0.1153","0.0637","","","0.1554","0.1826","","","","","","0.943","","","","has coordinates","249324","2020-10-21","18:00:00",""
"1557591","14.24","0.002","5.3154","0.0011","19.535","0.006","90","","91.93","0.02","90","","1477.8","0.6","","","122","","","","","","","","","5","P 1 21 1","P 2yb","4","(2R,3R)-3-(2-aminophenylthio)-2-hydroxy-3-(4-methoxyphenyl)propionic Acid","","","- C16 H17 N O4 S -","- C16 N O4 S -","- C64 N4 O16 S4 -","4","2","","Marthi, Katalin; Larsen, Sine; Acs, Maria; Fogassy, Elemer","Structural Study of the Solid-State Ring-Closure Reaction of (2R,3R)-3-(2-aminophenylthio)-2-hydroxy-3-(4-methoxyphenyl)propionic Acid","Acta Chemica Scandinavica","1996","50","","899","905","10.3891/acta.chem.scand.50-0899","","x-ray","1.54178","CuKα","","","0.0589","","","","0.1614","","","","","","1.106","","","","has coordinates","249325","2020-10-21","18:00:00",""
"1557592","24.726","0.003","5.2426","0.0005","12.0726","0.0012","90","","112.979","0.009","90","","1440.8","0.3","","","110","","","","","","","","","5","C 1 2 1","C 2y","5","(-)-(2S,3R)","","","- C16 H15 N O3 S -","- C16 N O3 S -","- C64 N4 O12 S4 -","4","1","","Marthi, Karalin; Larsen, Sine; Acs, Maria; Jaszay, Zsuzsa; Fogassy, Elemer","Enantiomer Associations in the Crystal Structures of Racemic and (2S,3R)-(-)-3-Hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5- benzothiazepin-4(5H)-one","Acta Chemica Scandinavica","1996","50","","906","913","10.3891/acta.chem.scand.50-0906","","x-ray","1.5418","CuKα","","","0.027","","","","","","","","","","","","","","has coordinates","249326","2020-10-21","18:00:00",""
"1557593","13.308","0.003","4.8474","0.0008","22.13","0.004","90","","91.782","0.014","90","","1426.9","0.5","","","122","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(±)-(2SR,3RS)","","","- C16 H15 N O3 S -","- C16 N O3 S -","- C64 N4 O12 S4 -","4","1","","Marthi, Karalin; Larsen, Sine; Acs, Maria; Jaszay, Zsuzsa; Fogassy, Elemer","Enantiomer Associations in the Crystal Structures of Racemic and (2S,3R)-(-)-3-Hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5- benzothiazepin-4(5H)-one","Acta Chemica Scandinavica","1996","50","","906","913","10.3891/acta.chem.scand.50-0906","","x-ray","1.5418","CuKα","","","0.032","","","","","","","","","","","","","","has coordinates","249327","2020-10-21","18:00:00",""
"1557602","9.884","0.001","13.581","0.002","6.43","0.001","96.99","0.01","101.24","0.01","88.38","0.01","840.3","0.2","","","293","","","","","","","","","5","P -1","-P 1","2","2-p-Chlorophenyl-5,8-methano-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzoxazine","","","- C21 H20 Cl N O -","- C21 H20 Cl N O -","- C42 H40 Cl2 N2 O2 -","2","1","","Stajer, Geza; Virag, Miklos; Szabo, Angela E.; Bernath, Gabor; Sohar, Pal; Sillanpaa, Reijo","Regioselective Synthesis of 3-endo-Hydroxymethyl-5-exo-phenylbicyclo[2.2.1]heptan-2-endo-amine and its Transformation into Saturated or Partially Saturated Di-endo-fused Heterocycles","Acta Chemica Scandinavica","1996","50","","922","930","10.3891/acta.chem.scand.50-0922","","x-ray","0.71069","MoKα","","","0.068","","","0.079","","","","","","","","","","","has coordinates","249352","2020-10-21","18:00:00",""
"1557621","9.814","0.002","8.337","0.004","10.39","0.004","90","","90","","90","","850.1","0.6","","","293","","","","","","","","","6","P n a m","-P 2c 2n","62","Silver 1,3-Propanediamine Ag(NH2CH2CH2CH2NH2)ClO4","","","- C3 H10 Ag Cl N2 O4 -","- C3 Ag Cl N2 O4 -","- C12 Ag4 Cl4 N8 O16 -","4","0.5","","Bang, Eva","Crystal Structure of the Silver 1,3-Propanediamine Complex [Ag(NH2CH2CH2CH2NH2)]ClO4","Acta Chemica Scandinavica","1996","50","","952","953","10.3891/acta.chem.scand.50-0952","","x-ray","0.71069","MoKα","","","0.04","","","0.05","","","","","","","","","","","has coordinates","249480","2020-10-21","18:00:00",""
"1557629","9.227","0.004","24.838","0.006","12.537","0.003","90","","107.59","0.03","90","","2738.9","1.6","","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Ir(cyclam)(coei)](CF3SO3)2","","","- C20 H33 F6 Ir N4 O6 S2 -","- C20 F6 Ir N4 O6 S2 -","- C80 F24 Ir4 N16 O24 S8 -","4","1","","Monsted, L.; Monsted, O.; Schaffer, S.; Simonsen, K.; Sotofte, I.","Iridium Complexes of Macrocyclic Tetraamine Ligands. Preparation, Characterization and Crystal Structure of a Macrocyclic Iridium(III) Complex Coordinated with the 4-Cycloocten-1-yl Anion","Acta Chemica Scandinavica","1996","50","","973","978","10.3891/acta.chem.scand.50-0973","","x-ray","0.71069","MoKα","","","0.035","","","0.038","","","","","","","","","","","has coordinates","249570","2020-10-21","18:00:00",""
"1557630","12.189","0.002","13.981","0.002","12.978","0.001","90","","98.59","0.01","90","","2186.8","0.5","","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Trihydrogen Dodecamolybdophosphate-Benzene(1/3)","","","- C18 H21 Mo12 O40 P -","- C18 Mo12 O40 P -","- C36 Mo24 O80 P2 -","2","0.5","","Lyxell, Dan-Goran; Bostrom, Dan; Hashimoto, Masato; Petterson, Lage","Multicomponent Polyanions. 48. The Crystal Structure of Trihydrogen Dodecamolybdophosphate-Benzene(1/3)","Acta Chemica Scandinavica","1996","50","","985","990","10.3891/acta.chem.scand.50-0985","","x-ray","0.71069","MoKα","","","0.061","","","0.067","","","","","","","1.111","","","","has coordinates","249571","2020-10-21","18:00:00",""
"1557685","13.399","0.006","9.217","0.004","20.976","0.008","90","","99.56","0.03","90","","2554.5","1.9","","","158","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,4,6-trimethy1-1-(2',2',2'-trinitroethyl)-benzene","","","- C11 H13 N3 O6 -","- C11 N3 O6 -","- C88 N24 O48 -","8","2","","Butts, Craig P.; Eberson, Lennart; Fulton, Karen L.; Hartshorn, Michael P.; Robinson, Ward T.; Timmerman-Vaughan, David J.","Photochemical Nitration by Tetranitromethane. Part XXXIII. Adduct Formation in the Photochemical Reactions of 1,2,4,5- and 1,2,3,5-Tetramethylbenzene","Acta Chemica Scandinavica","1996","50","","991","1008","10.3891/acta.chem.scand.50-0991","","x-ray","0.71073","MoKα","","","0.074","","","","0.23","","","","","","","","","","has coordinates","249834","2020-10-21","18:00:00",""
"1557686","9.344","0.003","13.228","0.004","13.459","0.003","113.99","0.02","102.68","0.02","92.47","0.02","1466.4","0.8","","","163","","","","","","","","","4","P -1","-P 1","2","trans-1,3,5,6-Tetramethy1-6-nitro-3-trinitromethylcyclo-hexa-1,4-diene","","","- C11 H14 N4 O8 -","- C11 N4 O8 -","- C44 N16 O32 -","4","2","","Butts, Craig P.; Eberson, Lennart; Fulton, Karen L.; Hartshorn, Michael P.; Robinson, Ward T.; Timmerman-Vaughan, David J.","Photochemical Nitration by Tetranitromethane. Part XXXIII. Adduct Formation in the Photochemical Reactions of 1,2,4,5- and 1,2,3,5-Tetramethylbenzene","Acta Chemica Scandinavica","1996","50","","991","1008","10.3891/acta.chem.scand.50-0991","","x-ray","0.71073","MoKα","","","0.053","","","","0.138","","","","","","","","","","has coordinates","249835","2020-10-21","18:00:00",""
"1557689","10.1879","0.001","10.6335","0.0011","9.9927","0.0009","97.426","0.007","81.853","0.007","109.62","0.006","1005.52","0.17","","","294","","","","","","","","","5","P -1","-P 1","2","diphenyldichloro(8-aminoquinoline)tin(IV)","","","- C21 H18 Cl2 N2 Sn -","- C21 Cl2 N2 Sn -","- C42 Cl4 N4 Sn2 -","2","1","","Bengtson, Annemette; Goh, Ngoh Khang; Hazell, Alan; Khoo, Lian Ee; Ouyang, Jiexiang; Pedersen, Kristian Ronning","Reactions of 8-Aminoquinoline with Diorganotin Dichlorides","Acta Chemica Scandinavica","1996","50","","1020","1024","10.3891/acta.chem.scand.50-1020","","x-ray","0.71069","MoKα","","","0.031","","","0.041","","","","","","","0.968","","","","has coordinates","249856","2020-10-21","18:00:00",""
"1557690","6.965","0.0017","8.2078","0.0019","15.4031","0.0032","90","","94.38","0.011","90","","878","0.3","","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","8-Aminoquinolinium chloride","","","- C9 H9 Cl N2 -","- C9 Cl N2 -","- C36 Cl4 N8 -","4","1","","Bengtson, Annemette; Goh, Ngoh Khang; Hazell, Alan; Khoo, Lian Ee; Ouyang, Jiexiang; Pedersen, Kristian Ronning","Reactions of 8-Aminoquinoline with Diorganotin Dichlorides","Acta Chemica Scandinavica","1996","50","","1020","1024","10.3891/acta.chem.scand.50-1020","","x-ray","0.71069","MoKα","","","0.036","","","0.043","","","","","","","","","","","has coordinates","249857","2020-10-21","18:00:00",""
"1557691","11.524","0.002","11.959","0.002","14.284","0.001","90","","109.14","0.01","90","","1859.7","0.5","","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","trans-3-(4-Acetoxy-3-methoxyphenyl)-8-acetyloxy-2-methyl-2,3-dihydro- 1,4-benzodioxine","","","- C20 H20 O7 -","- C20 H20 O7 -","- C80 H80 O28 -","4","1","","Lariucci, Carlito; Inumaru, Aurea Tamae; Barata, Lauro Euclides Soares; de Azevedo, Neucirio Ricardo; Ferri, Pedro Henrique","Synthesis and Crystal Structure of trans-3-(4-Acetoxy-3-methoxyphenyl)-8-acetyloxy-2-methyl-2,3-dihydro- 1,4-benzodioxine","Acta Chemica Scandinavica","1996","50","","1025","1029","10.3891/acta.chem.scand.50-1025","","x-ray","0.71069","MoKα","","","0.059","","","","","","","","","","","","","","has coordinates","249858","2020-10-21","18:00:00",""
"1557698","8.7126","0.0004","18.779","0.001","9.1054","0.0004","90","","105.444","0.007","90","","1435.98","0.13","","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","trans-[Iodophenylbis(dimethylsulfide)platinum(II)] trans-[PtPhI(Me2S)2]","","","- C10 H5 I Pt S2 -","- C10 H5 I Pt S2 -","- C40 H20 I4 Pt4 S8 -","4","1","","Lovqvist, Karin C.; Wendt, Ola F.; Leipoldt, Johann G.","trans-Influence on Bond Distances in Platinum(II) Complexes. Structures of trans-[PtPhI(Me2S)2] and trans-[PtI2(Me2S)2]","Acta Chemica Scandinavica","1996","50","","1069","1073","10.3891/acta.chem.scand.50-1069","","x-ray","0.71069","MoKα","","","0.054","","","0.063","","","","","","","2.28","","","","has coordinates","249912","2020-10-21","18:00:00",""
"1557699","15.641","0.002","6.046","0.001","12.845","0.002","90","","101.67","0.01","90","","1189.6","0.3","","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","trans[diiodobis(dimethylsulfide)platinum(II)] trans-[PtI2(Me2S)2]","","","- C4 I2 Pt S2 -","- C4 I2 Pt S2 -","- C16 I8 Pt4 S8 -","4","0.5","","Lovqvist, Karin C.; Wendt, Ola F.; Leipoldt, Johann G.","trans-Influence on Bond Distances in Platinum(II) Complexes. Structures of trans-[PtPhI(Me2S)2] and trans-[PtI2(Me2S)2]","Acta Chemica Scandinavica","1996","50","","1069","1073","10.3891/acta.chem.scand.50-1069","","x-ray","0.71069","MoKα","","","0.039","","","0.051","","","","","","","1.88","","","","has coordinates","249913","2020-10-21","18:00:00",""
"1557700","13.965","0.003","10.292","0.002","8.608","0.002","90","","104.51","0.02","90","","1197.7","0.5","","","93","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Phenyltrimethylammonium Salt of Hexachlorotellurate(IV) [C6H5(CH3)3N]2[TeCl6]","","","- C18 H28 Cl6 N2 Te -","- C18 Cl6 N2 Te -","- C36 Cl12 N4 Te2 -","2","0.5","","Hauge, Sverre; Maroy, Kjartan","Syntheses and Crystal Structures of Phenyltrimethylammonium Salts of Hexachlorotellurate(IV), [C6H5(CH3)3N]2[TeCl6], catena-poly[(Di-mu-chlorobis{tetrachlorotellurate(IV)})-mu-bromine], [C6H5(CH3)3N]2n[Te2Cl10.Br2]n and Di-mu-chlorobis{tetrachlorotellurate(IV)} catena-poly[(mu-chlorobis{pentachlorotellurate(IV)})-mu-iodine(I)], [C6H5(CH3)3N]4n[Te2Cl10]n[Te2Cl11.I]n","Acta Chemica Scandinavica","1996","50","","1095","1101","10.3891/acta.chem.scand.50-1095","","x-ray","0.71069","MoKα","","","0.018","","","0.022","","","","","","","1.573","","","","has coordinates","249915","2020-10-21","18:00:00",""
"1557701","8.672","0.001","8.785","0.001","11.565","0.001","95.93","0.02","103.27","0.02","90.44","0.02","852.5","0.18","","","293","","","","","","","","","6","P -1","-P 1","2","catena-poly[(Di-mu-chlorobis{tetrachlorotellurate(IV)})-mu-bromine] [C6H5(CH3)3N]2n[Te2Cl10.Br2]n","","","- C18 H28 Br2 Cl10 N2 Te2 -","- C18 Br2 Cl10 N2 Te2 -","- C18 Br2 Cl10 N2 Te2 -","1","0.5","","Hauge, Sverre; Maroy, Kjartan","Syntheses and Crystal Structures of Phenyltrimethylammonium Salts of Hexachlorotellurate(IV), [C6H5(CH3)3N]2[TeCl6], catena-poly[(Di-mu-chlorobis{tetrachlorotellurate(IV)})-mu-bromine], [C6H5(CH3)3N]2n[Te2Cl10.Br2]n and Di-mu-chlorobis{tetrachlorotellurate(IV)} catena-poly[(mu-chlorobis{pentachlorotellurate(IV)})-mu-iodine(I)], [C6H5(CH3)3N]4n[Te2Cl10]n[Te2Cl11.I]n","Acta Chemica Scandinavica","1996","50","","1095","1101","10.3891/acta.chem.scand.50-1095","","x-ray","0.71069","MoKα","","","0.029","","","0.034","","","","","","","1.569","","","","has coordinates","249916","2020-10-21","18:00:00",""
"1557702","11.952","0.001","16.475","0.002","16.923","0.002","90","","90","","90","","3332.3","0.6","","","293","","","","","","","","","6","P n n m","-P 2 2n","58","Di-mu-chlorobis{tetrachlorotellurate(IV)} catena-poly[(mu-chlorobis{pentachlorotellurate(IV)})-mu-iodine(I)] [C6H5(CH3)3N]4n[Te2Cl10]n[Te2Cl11.I]n","","","- C36 H56 Cl21 I N4 Te4 -","- C36 Cl21 I N4 Te4 -","- C72 Cl42 I2 N8 Te8 -","2","0.25","","Hauge, Sverre; Maroy, Kjartan","Syntheses and Crystal Structures of Phenyltrimethylammonium Salts of Hexachlorotellurate(IV), [C6H5(CH3)3N]2[TeCl6], catena-poly[(Di-mu-chlorobis{tetrachlorotellurate(IV)})-mu-bromine], [C6H5(CH3)3N]2n[Te2Cl10.Br2]n and Di-mu-chlorobis{tetrachlorotellurate(IV)} catena-poly[(mu-chlorobis{pentachlorotellurate(IV)})-mu-iodine(I)], [C6H5(CH3)3N]4n[Te2Cl10]n[Te2Cl11.I]n","Acta Chemica Scandinavica","1996","50","","1095","1101","10.3891/acta.chem.scand.50-1095","","x-ray","0.71069","MoKα","","","0.032","","","0.032","","","","","","","1.182","","","","has coordinates","249917","2020-10-21","18:00:00",""
"1557714","17.192","0.005","15.593","0.002","18.178","0.004","90","","91.27","0.02","90","","4871.9","1.9","","","93","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","trans-N,P-[Pt(ppy)(Pmor3)Cl]","","","- C23 H36 Cl N4 O3 P Pt -","- C23 Cl N4 O3 P Pt -","- C184 Cl8 N32 O24 P8 Pt8 -","8","2","","Balashev, Konstantin P.; Engebretsen, Thoralf; Kvam, Per-Inge; Maartmann-Moe, Knut; Puzyk, Michael V.; Songstad, Jon","Crystal Structures and Spectroscopic Properties of trans-N,P-[Pt(ppy)(Pmor3)Cl] and trans-N,P-[Pt(tpy)(Pmor3)Cl].CH3CN [ppy = N,C'-chelated 2-phenylpyridinate, tpy = N,C'-Chelated 2-(2'-thienyl)pyridinate, Pmor3 = tris(morpholino)phosphine]","Acta Chemica Scandinavica","1996","50","","1108","1115","10.3891/acta.chem.scand.50-1108","","x-ray","0.71073","MoKα","","","0.031","","","0.028","","","","","","","1.216","","","","has coordinates","249962","2020-10-21","18:00:00",""
"1557715","12.415","0.004","12.731","0.001","16.702","0.006","90","","105.42","0.02","90","","2544.8","1.3","","","93","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","trans-N,P-[Pt(tpy)(Pmor3)Cl].CH3CN","","","- C23 H36 Cl N5 O3 P Pt S -","- C23 Cl N5 O3 P Pt S -","- C92 Cl4 N20 O12 P4 Pt4 S4 -","4","1","","Balashev, Konstantin P.; Engebretsen, Thoralf; Kvam, Per-Inge; Maartmann-Moe, Knut; Puzyk, Michael V.; Songstad, Jon","Crystal Structures and Spectroscopic Properties of trans-N,P-[Pt(ppy)(Pmor3)Cl] and trans-N,P-[Pt(tpy)(Pmor3)Cl].CH3CN [ppy = N,C'-chelated 2-phenylpyridinate, tpy = N,C'-Chelated 2-(2'-thienyl)pyridinate, Pmor3 = tris(morpholino)phosphine]","Acta Chemica Scandinavica","1996","50","","1108","1115","10.3891/acta.chem.scand.50-1108","","x-ray","0.71073","MoKα","","","0.026","","","0.033","","","","","","","1.626","","","","has coordinates","249963","2020-10-21","18:00:00",""
"1557728","8.031","0.004","11.768","0.004","12.274","0.004","70.63","0.03","103.26","0.04","92.86","0.02","1064.7","0.8","","","193","","","","","","","","","4","P -1","-P 1","2","Dichlorobis(eta5-indenyl)zirconium(IV) [Zr(C5H5)2Cl2]","","","- C10 H10 Cl2 Zr -","- C10 Cl2 Zr -","- C40 Cl8 Zr4 -","4","2","","Repo, Timo; Klinga, Martti; Mutikainen, Ilpo; Su, Yincai; Leskela, Markku; Polamo, Mika","Low-Temperature Crystal Structures of Dichlorobis(eta5-indenyl)zirconium(IV) at 153 K and Dichlorobis(eta5-cyclopentadienyl)zirconium(IV) at 193 K","Acta Chemica Scandinavica","1996","50","","1116","1120","10.3891/acta.chem.scand.50-1116","","x-ray","0.71073","MoKα","","0.0373","0.032","","","0.066","0.0688","","","","","","1.045","","","","has coordinates","249998","2020-10-21","18:00:00",""
"1557729","19.363","0.012","6.968","0.004","11.867","0.006","90","","104.62","0.04","90","","1549.3","1.6","","","153","","","","","","","","","4","C 1 c 1","C -2yc","9","Dichlorobis(eta5-cyclopentadienyl)zirconium(IV) [Zr(C9H7)2Cl2]","","","- C18 H14 Cl2 Zr -","- C18 Cl2 Zr -","- C72 Cl8 Zr4 -","4","1","","Repo, Timo; Klinga, Martti; Mutikainen, Ilpo; Su, Yincai; Leskela, Markku; Polamo, Mika","Low-Temperature Crystal Structures of Dichlorobis(eta5-indenyl)zirconium(IV) at 153 K and Dichlorobis(eta5-cyclopentadienyl)zirconium(IV) at 193 K","Acta Chemica Scandinavica","1996","50","","1116","1120","10.3891/acta.chem.scand.50-1116","","x-ray","0.71073","MoKα","","0.0373","0.0355","","","0.0884","0.0903","","","","","","1.087","","","","has coordinates","249999","2020-10-21","18:00:00",""
"1557735","5.402","0.003","16.807","0.005","19.814","0.006","90","","90","","90","","1798.9","1.3","","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-Phenyl-2-phenylthio-2-(tetrahydropyran-2-ylthio)ethanol","","","- C19 H22 O2 S2 -","- C19 O2 S2 -","- C76 O8 S8 -","4","1","","Kansikas, Jarno; Sipila, Kaija; Hase, Tapio","Synthesis and Crystal Structure of Intramolecularly Hydrogen-Bonded 1-Phenyl-2-phenylthio-2-(tetrahydropyran-2-ylthio)ethanol","Acta Chemica Scandinavica","1996","50","","1147","1152","10.3891/acta.chem.scand.50-1147","","x-ray","0.71073","MoKα","","0.1199","0.0583","","","0.0457","0.0511","","","","","","1.51","","","","has coordinates","250126","2020-10-21","18:00:00",""
"1557736","3.868","0.001","7.08","0.002","12.127","0.003","90","","97.21","0.03","90","","329.48","0.15","","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","alpha form of 1,4-Dicyanobenzene","","","- C8 H4 N2 -","- C8 H4 N2 -","- C16 H8 N4 -","2","0.5","","Kubiak, Ryszard; Janczak, Jan","A New Crystalline (alpha) Form of 1,4-Dicyanobenzene","Acta Chemica Scandinavica","1996","50","","1164","1167","10.3891/acta.chem.scand.50-1164","","x-ray","0.71069","MoKα","","0.081","0.05","","","0.061","0.072","","","","","","1.29","","","","has coordinates","250127","2020-10-21","18:00:00",""
"1559912","13.294","0.008","7.291","0.005","7.165","0.004","90","","93.771","0.004","90","","693","0.7","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,6-diaminohexane ammoniun tetrachloromanganate","catena-[1,6 hexanediammoniun bis(μ-chloro)-dichloro-manganate]","","- C6 H18 Cl4 Mn N2 -","- C6 H18 Cl4 Mn N2 -","- C12 H36 Cl8 Mn2 N4 -","2","0.5","","Maris, Thierry; Duplessix, Robert; Leger, Jen-Michel; Chanh, N Guyen Ba","1,6 diammonium tetrachloromanganate","Thesis","1996","","","1","","","","x-ray","1.5418","CuKα","","0.051","0.048","","","0.1454","0.1876","","","","","","1.164","","","","has coordinates","260388","2021-01-03","16:38:42",""
"1559913","7.932","0.004","7.771","0.003","24.65","0.007","90","","98.83","0.008","90","","1501.4","1","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,6 diammonium tetrachloroplumbate","catena-(1,6-Diammoniohexane bis(mu2-chloro)-dichloro-lead)","","- C6 H18 Cl4 N2 Pb -","- C6 H18 Cl4 N2 Pb -","- C24 H72 Cl16 N8 Pb4 -","4","1","","Maris, Thierry; Duplessix, Robert; Leger, Jen-Michel; Chanh, N Guyen Ba","1,6 diammonium tetrachloroplumbate","Thesis","1996","","","1","","","","","0.71069","MoKα","","0.0625","0.0475","","","0.1211","0.1283","","","","","","1.035","","","","has coordinates","260389","2021-01-03","16:40:53",""
"2000010","27.668","0.007","5.2391","0.0012","10.4134","0.0015","90","","90","","90","","1509.48","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H18 O3 S -","- C16 H18 O3 S -","- C64 H72 O12 S4 -","4","1","","Retoux, R.; Molenkamp, J.; Bonfand, E.; Gosselin, P.; Maignan, C.","(RS)-4-p-Toluenesulfinylcyclohexa-1,4-dienecarboxylic Acid Ethyl Ester","Acta Crystallographica, Section C: Crystal Structure Communications","1996","52","9","2290","2292","10.1107/s0108270196005744","","","","","","","0.042","","","0.042","","","","","","","","","","","has coordinates","199648","2020-10-21","18:00:00",""
"2002716","13.4515","0.0005","13.4515","0.0005","13.4515","0.0005","90","","90","","90","","2434","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Tribarium dilutetium pentazinc oxide","","- Ba3 Lu2 O11 Zn5 -","- Ba3 Lu2 O11 Zn5 -","- Ba24 Lu16 O88 Zn40 -","8","0.0833333","","Mueller-Buschbaum, Hk; Rabbow, C","Synthese und Kristallstruktur von Ba6 Lu4 Zn10 O22","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","100","104","10.1002/zaac.19966220115","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002726","11.814","0.0014","11.814","0.003","7.1","0.002","90","","90","","120","","858.2","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Hexabarium dipraseodymium tetracobalt(III) oxide","","- Ba6 Co4 O15 Pr2 -","- Ba5.99 Co4 O15 Pr2.01 -","- Ba11.98 Co8 O30 Pr4.02 -","2","0.166667","","Mueller-Buschbaum, Hk; Uensal, H","Zur Kenntnis von Ba6 Pr2 Co4 O15 und Ba5 Sr Pr2 Co4 O15","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","453","455","","","","","","","0.0282","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002727","11.6457","0.0008","11.6457","0.0008","6.8601","0.0011","90","","90","","120","","805.7","","","","","","","","","","","","","5","P 63 m c","P 6c -2c","186","","Pentabarium strontium diraseodymium tetracobalt(III) oxide","","- Ba5 Co4 O15 Pr2 Sr -","- Ba5.001 Co4 O15 Pr1.998 Sr1.001 -","- Ba10.002 Co8 O30 Pr3.996 Sr2.002 -","2","0.166667","","Mueller-Buschbaum, Hk; Uensal, H","Zur Kenntnis von Ba6 Pr2 Co4 O15 und Ba5 Sr Pr2 Co4 O15","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","453","455","","","","","","","0.0251","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002738","5.8738","0.0007","5.8738","0.0007","14.585","0.004","90","","90","","120","","435.8","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Tribarium cerium diruthenium nonaoxide","","- Ba3 Ce O9 Ru2 -","- Ba3 Ce O9 Ru2 -","- Ba6 Ce2 O18 Ru4 -","2","0.0833333","","Mueller-Buschbaum, Hk; Mertens, B","Einkristall-Roentgenstrukturanalyse von Ba3 Ce(IV) Ru(IV)2O9, Ba3 Ln(III) Ru(IV/V)2O9 (Ln=Sm, Dy, Er)und Ba3 Ti2.4 Ru0.6 O9","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","79","84","","","","","","","0.1224","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002739","5.9137","0.0005","5.9137","0.0005","14.651","0.0012","90","","90","","120","","443.7","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Tribarium samarium diruthenium nonaoxide","","- Ba3 O9 Ru2 Sm -","- Ba3 O9 Ru2 Sm -","- Ba6 O18 Ru4 Sm2 -","2","0.0833333","","Mueller-Buschbaum, Hk; Mertens, B","Einkristall-Roentgenstrukturanalyse von Ba3 Ce(IV) Ru(IV)2O9, Ba3 Ln(III) Ru(IV/V)2O9 (Ln=Sm, Dy, Er)und Ba3 Ti2.4 Ru0.6 O9","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","79","84","","","","","","","0.0573","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002740","5.8805","0.0005","5.8805","0.0005","14.5058","0.0009","90","","90","","120","","434.4","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Tribarium dysprosium diruthenium nonaoxide","","- Ba3 Dy O9 Ru2 -","- Ba3 Dy O9 Ru2 -","- Ba6 Dy2 O18 Ru4 -","2","0.0833333","","Mueller-Buschbaum, Hk; Mertens, B","Einkristall-Roentgenstrukturanalyse von Ba3 Ce(IV) Ru(IV)2O9, Ba3 Ln(III) Ru(IV/V)2O9 (Ln=Sm, Dy, Er)und Ba3 Ti2.4 Ru0.6 O9","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","79","84","","","","","","","0.0776","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002741","5.8737","0.0009","5.8737","0.0009","14.47","0.003","90","","90","","120","","432.3","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Tribarium erbium diruthenium nonaoxide","","- Ba3 Er O9 Ru2 -","- Ba3 Er O9 Ru2 -","- Ba6 Er2 O18 Ru4 -","2","0.0833333","","Mueller-Buschbaum, Hk; Mertens, B","Einkristall-Roentgenstrukturanalyse von Ba3 Ce(IV) Ru(IV)2O9, Ba3 Ln(III) Ru(IV/V)2O9 (Ln=Sm, Dy, Er)und Ba3 Ti2.4 Ru0.6 O9","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","79","84","","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002742","5.7265","0.0006","5.7265","0.0006","14.0057","0.0012","90","","90","","120","","397.8","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Barium titanium ruthenium oxide (3/2.4/0.6/9)","","- Ba3 O9 Ru0.6 Ti2.4 -","- Ba3 O9 Ru0.629 Ti2.368 -","- Ba6 O18 Ru1.258 Ti4.736 -","2","0.0833333","","Mueller-Buschbaum, Hk; Mertens, B","Einkristall-Roentgenstrukturanalyse von Ba3 Ce(IV) Ru(IV)2O9, Ba3 Ln(III) Ru(IV/V)2O9 (Ln=Sm, Dy, Er)und Ba3 Ti2.4 Ru0.6 O9","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","79","84","","","","","","","0.0636","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002743","7.4859","0.0012","7.5277","0.001","16.502","0.003","100.998","0.011","96.18","0.02","98.62","0.02","893.6","","","","","","","","","","","","","4","P -1","-P 1","2","","Iron cerium tungstate ditungstate","","- Ce Fe O12 W3 -","- Ce Fe O12 W3 -","- Ce4 Fe4 O48 W12 -","4","2","","Gressling, T; Mueller-Buschbaum, Hk","Ein neuer Strukturtyp am Lanthanoid-Oxowolframat Fe Ce (W O4) W2 O8 = Fe Ce (W O4)3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","254","258","10.1002/zaac.19966220209","","","","","","0.1036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002744","5.0952","0.0008","10.637","0.002","17.881","0.003","90","","90","","90","","969.1","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Copper iron molybdate (1.82/1.82/3)","","- Cu1.815 Fe1.815 Mo3 O12 -","- Cu1.815 Fe1.815 Mo3 O12 -","- Cu7.26 Fe7.26 Mo12 O48 -","4","1","","Sedello, O; Mueller-Buschbaum, Hk","Synthese und Kristallstruktur von (Cu, Fe)3,63 Mo3 O12. Ein Oxometallat mit eindimensional flaechenverknuepften Oktaederketten.","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","90","94","","","","","","","0.121","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002745","22.73099","0.001","22.73099","0.001","5.672","0.001","90","","90","","90","","2930.7","","","","","","","","","","","","","5","I 4/m","-I 4","87","","Barium ytterbium platinum zink oxide (17/16/4/8/57)","","- Ba17 O57 Pt4 Yb16 Zn8 -","- Ba17 O57 Pt4 Yb16 Zn8 -","- Ba34 O114 Pt8 Yb32 Zn16 -","2","0.125","","Rabbow, C; Sfreddo, O; Mueller-Buschbaum, Hk","Ueber ein Barium - Lanthanoid - Oxozinkat - Platinat(IV): Ba17 Yb16 Zn8 Pt4 O57","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","220","224","","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002746","10.1951","0.0013","9.721","0.0015","14.563","0.003","90","","90","","90","","1443.3","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Copper(I) dysprosium bis(molybdate)","","- Cu Dy Mo2 O8 -","- Cu Dy Mo2 O8 -","- Cu8 Dy8 Mo16 O64 -","8","1","","Mueller-Buschbaum, Hk; Gallinat, S","Zur Kristallchemie von Cu Dy Mo2 O8 und Cu Yb Mo2 O8","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","240","244","","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002747","10.094","0.003","9.629","0.006","14.467","0.009","90","","90","","90","","1406.1","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Copper(I) ytterbium bis(molybdate)","","- Cu Mo2 O8 Yb -","- Cu Mo2 O8 Yb -","- Cu8 Mo16 O64 Yb8 -","8","1","","Mueller-Buschbaum, Hk; Gallinat, S","Zur Kristallchemie von Cu Dy Mo2 O8 und Cu Yb Mo2 O8","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","240","244","","","","","","","0.0629","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002748","5.3517","0.0011","12.88","0.002","19.39899","0.004","90","","90.89","0.03","90","","1337","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Barium copper praseodymium molybdate (1/0.4/2/4)","","- Ba Cu0.41 Mo4 O16 Pr2 -","- Ba Cu0.4238 Mo4 O16 Pr2 -","- Ba4 Cu1.6952 Mo16 O64 Pr8 -","4","0.5","","Gallinat, S; Mueller-Buschbaum, Hk","Zwei Beispiele fuer partielle und totale Defekte im Ba ' ' Ln2 Mo4 O16- Typ: Ba Cu0.41 ' '0.59 Pr2 Mo4 O16 und Ba ' ' Yb2 Mo4 O16","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","85","89","","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002749","9.743","0.003","8.163","0.008","17.933","0.003","90","","91.55","0.02","90","","1425.7","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Tetrazink bis(arsenate(V)) oxide - HT","","- As2 O9 Zn4 -","- As2 O9 Zn4 -","- As16 O72 Zn32 -","8","2","","Mueller-Buschbaum, Hk; Frerichs, D; Park, C H","Zur Kenntnis der Tief- und Hochtemperaturform eines Oxidarsenates des Zinks: Zn O Zn3 (As O4)2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","233","239","","","","","","","0.2855","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002750","9.807","0.003","8.18","0.002","9.967","0.002","90","","116.528","0.012","90","","715.4","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Tetrazink bis(arsenate(V)) oxide - LT","","- As2 O9 Zn4 -","- As2 O9 Zn4 -","- As8 O36 Zn16 -","4","1","","Mueller-Buschbaum, Hk; Park, C-H","Zur Kenntnis der Tief- und Hochtemperaturform eines Oxidarsenates des Zinks: Zn O Zn3 (As O4)3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","233","239","","","","","","","0.0998","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002751","9.0624","0.0011","11.669","0.002","5.9501","0.0011","90","","97.88","0.02","90","","623.3","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cadmium copper phosphate(V) (1.35/1.65/2)","","- Cd1.35 Cu1.65 O8 P2 -","- Cd1.344 Cu1.656 O8 P2 -","- Cd5.376 Cu6.624 O32 P8 -","4","1","","Mueller-Buschbaum, Hk; Muenchau, S","Ein Cadmium-Kupfer-Phosphat mit einfach ueberkappten trigonalen Cd O6- Prismen-Netzen: Cd1,35 Cu1,65 (P O4)2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","229","232","","","","","","","0.1059","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002752","9.097","0.001","9.097","0.001","5.331","0.002","90","","90","","90","","441.2","","","","","","","","","","","","","5","P 4","P 4","75","","Tetrapotassium cadmium 15-oxochloropentavanadate","","- Cd Cl K4 O15 V5 -","- Cd Cl K4 O15 V5 -","- Cd Cl K4 O15 V5 -","1","0.25","","Mueller-Buschbaum, Hk; Muenchau, S","Zur Kenntnis des ersten Alkalimetall-Cadmium-Halogeno-Oxovanadats: K4 Cd V5 O15 Cl","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","493","497","","","","","","","0.1429","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002753","10.359","0.003","6.986","0.002","15.331","0.003","90","","94.77","0.02","90","","1105.6","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Barium dicadmium potassium vanadate divanadate","","- Ba Cd2 K O11 V3 -","- Ba Cd2 K O11 V3 -","- Ba4 Cd8 K4 O44 V12 -","4","1","","Mueller-Buschbaum, Hk; Muenchau, S","Zur Kentnis eines Alkali-Erdalkalimetall-Cadmium-Oxovanadats: K Ba Cd2 (V O4) (V2 O7)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","622","626","10.1002/zaac.19966220408","","","","","","0.1072","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002754","6.237","0.002","6.237","0.002","10.161","0.003","90","","90","","120","","342.3","","","","","","","","","","","","","5","P 63 m c","P 6c -2c","186","","Barium lutetium aluminium zinc oxide (1/1/0.91/3.1/7)","","- Al0.91 Ba Lu O7 Zn3.09 -","- Al0.9086 Ba Lu O7 Zn3.0914 -","- Al1.8172 Ba2 Lu2 O14 Zn6.1828 -","2","0.166667","","Mueller-Buschbaum, Hk; Rabbow, C","Zur Kenntnis eines Barium-Lanthanoid-Aluminat-Zinkats: Ba Lu Al Zn3 O7 mit einem Anhang zu Ba2 Er2 Zn8 O13.","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","343","347","","","","","","","0.0209","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002755","6.276","0.002","6.276","0.002","10.195","0.003","90","","90","","120","","347.8","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Barium erbium zinc oxide (2/2/8/13.04)","","- Ba2 Er2 O13.04 Zn8 -","- Ba2 Er2 O13.04 Zn8 -","- Ba2 Er2 O13.04 Zn8 -","1","0.0833333","","Mueller-Buschbaum, Hk; Rabbow, C","Zur Kenntnis eines Barium-Lanthanoid-Aluminat-Zinkats: Ba Lu Al Zn3 O7 mit einem Anhang zu Ba2 Er2 Zn8 O13.","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","343","347","","","","","","","0.0546","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002756","9.636","0.0014","9.636","0.0014","11.556","0.003","90","","90","","120","","929.2","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Sodium tristrontium iridate(V)","","- Ir Na O6 Sr3 -","- Ir Na O6 Sr3 -","- Ir6 Na6 O36 Sr18 -","6","0.166667","","Mueller-Buschbaum, Hk; Frenzen, S","Ueber ein neues Oxoiridat(V) vom Sr4 Pt O6-Typ: Na Sr3 Ir O6","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","225","228","","","","","","","0.0831","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002757","6.372","0.004","7.643","0.007","8.175","0.005","98.59","0.06","112.26","0.03","99.03","0.02","354.3","","","","","","","","","","","","","5","P -1","-P 1","2","","Copper magnesium arsenic phosphorus oxide (3.8/0.2/1.4/0.6/9)","","- As1.4 Cu3.8 Mg0.2 O9 P0.6 -","- As1.406 Cu3.8141 Mg0.1859 O9 P0.594 -","- As2.812 Cu7.6282 Mg0.3718 O18 P1.188 -","2","1","","Mueller-Buschbaum, Hk; Frerichs, D","Vier verschiedene Koordinationpolyeder um Cu2+ im Oxid-Arsenat-Phosphat Cu O (Cu, Mg)3 (As(1-x) P(x) O4)2 (x=0.3)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","25","28","","","","","","","0.0698","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002758","11.6571","0.001","11.6571","0.001","6.7888","0.001","90","","90","","120","","798.9","","","","","","","","","","","","","5","P 63 m c","P 6c -2c","186","","Barium samarium zinc platinum oxide (4/4/3/1/15)","","- Ba4 O15 Pt Sm4 Zn3 -","- Ba4 O15 Pt Sm4 Zn3 -","- Ba8 O30 Pt2 Sm8 Zn6 -","2","0.166667","","Mueller-Buschbaum, Hk; Rabbow, C; Sfreddo, O","Eine neue Verbindung im System Ba/Ln/Zn/Pt/O der Zusammensetzung: Ba4 Sm4 Zn3 Pt O15","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","338","342","","","","","","","0.0384","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002759","6.3061","0.0014","8.652","0.002","11.321","0.004","90","","92.25","0.05","90","","617.2","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Trizink bis(arsenate(V)) - α","","- As2 O8 Zn3 -","- As2 O8 Zn3 -","- As8 O32 Zn12 -","4","1","","Frerichs, D.; Park, C. H.; Müller-Buschbaum, Hk.","Zur Kenntnis zweier Formen des Zinkorthoarsenates: α-Zn~3~(AsO~4~)~2~ und β-Zn~3~(AsO~4~)~2~ / On Two Forms of Zinc Orthoarsenate: α-Zn~3~(AsO~4~)~2~ and β-Zn~3~(AsO~4~)~2~","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1996","51","3","333","337","10.1515/znb-1996-0306","","","","","","0.1824","","","","","","","","","","","","","","","has coordinates","200085","2020-10-21","18:00:00",""
"2002760","5.2805","0.0009","8.494","0.002","7.726","0.003","90","","96.39","0.03","90","","344.4","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Trizink bis(arsenate(V)) - β","","- As2 O8 Zn3 -","- As2 O8 Zn3 -","- As4 O16 Zn6 -","2","0.5","","Frerichs, D.; Park, C. H.; Müller-Buschbaum, Hk.","Zur Kenntnis zweier Formen des Zinkorthoarsenates: α-Zn~3~(AsO~4~)~2~ und β-Zn~3~(AsO~4~)~2~ / On Two Forms of Zinc Orthoarsenate: α-Zn~3~(AsO~4~)~2~ and β-Zn~3~(AsO~4~)~2~","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1996","51","3","333","337","10.1515/znb-1996-0306","","","","","","0.1832","","","","","","","","","","","","","","","has coordinates","200085","2020-10-21","18:00:00",""
"2002761","4.6862","0.0004","4.6862","0.0004","2.9039","0.0003","90","","90","","90","","63.8","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Titanium tungsten oxide (0.54/0.46/2)","","- O2 Ti0.54 W0.46 -","- O2 Ti0.54 W0.46 -","- O4 Ti1.08 W0.92 -","2","0.125","","Peters, E; Mueller-Buschbaum, H","Ueber ein niedervalentes Titan-Wolframoxid: Ti0,54 W0,46 O2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","29","31","","","","","","","0.0583","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002762","7.6277","0.0006","7.6277","0.0006","5.2781","0.0009","90","","90","","120","","265.9","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Tantalum germanide boride (5/3/0.7)","","- B0.7 Ge3 Ta5 -","- B0.7 Ge3 Ta5 -","- B1.4 Ge6 Ta10 -","2","0.0833333","","Peters, E; Mueller-Buschbaum, Hk","Mit Bor besetzte kondensierte Cluster in Ta5 Ge3 By (y=0.7)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","481","484","","","","","","","0.0335","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002763","7.7736","0.0014","5.899","0.001","10.3752","0.0012","90","","90","","90","","475.8","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Potassium barium vanadate(V)","","- Ba K O4 V -","- Ba K O4 V -","- Ba4 K4 O16 V4 -","4","0.5","","Schrandt, O.; Müller-Buschbaum, Hk.","Geordnete Metallverteilung in KBaVO~4~ und KSrVO~4~ mit β-K~2~SO~4~-Struktur / Ordered Metal Distribution in KBaVO~4~ and KSrVO~4~ Showing β-K~2~SO~4~ Structure","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1996","51","4","477","480","10.1515/znb-1996-0406","","","","","","0.0974","","","","","","","","","","","","","","","has coordinates","200085","2020-10-21","18:00:00",""
"2002764","7.3997","0.0011","5.8119","0.0008","9.9614","0.0009","90","","90","","90","","428.4","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Potassium strontium vanadate(V)","","- K O4 Sr V -","- K O4 Sr V -","- K4 O16 Sr4 V4 -","4","0.5","","Schrandt, O.; Müller-Buschbaum, Hk.","Geordnete Metallverteilung in KBaVO~4~ und KSrVO~4~ mit β-K~2~SO~4~-Struktur / Ordered Metal Distribution in KBaVO~4~ and KSrVO~4~ Showing β-K~2~SO~4~ Structure","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1996","51","4","477","480","10.1515/znb-1996-0406","","","","","","0.1007","","","","","","","","","","","","","","","has coordinates","200085","2020-10-21","18:00:00",""
"2002765","5.1541","0.0009","10.7876","0.0012","18.114","0.003","90","","90","","90","","1007.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Copper manganese molybdenum oxide (2.9/0.8/3/12)","","- Cu2.86 Mn0.8 Mo3 O12 -","- Cu2.86 Mn0.8 Mo3 O12 -","- Cu11.44 Mn3.2 Mo12 O48 -","4","0.5","","Sedello, O; Mueller-Buschbaum, Hk","Zur Kristallstruktur von (Cu, Mn)3.66 Mo3 O12","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","447","449","","","","","","","0.1671","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002766","5.4869","0.0008","15.412","0.0008","7.2066","0.0004","90","","90","","90","","609.4","","","","","","","","","","","","","4","A m a 2","A 2 -2a","40","","Barium copper tellurate(IV) tellurate","","- Ba Cu O7 Te2 -","- Ba Cu O7 Te2 -","- Ba4 Cu4 O28 Te8 -","4","0.5","","Sedello, O; Mueller-Buschbaum, Hk","Synthese und Kristallstruktur des Barium-Kupfer-TelluritTellurats Ba Cu (Te O3) (Te O4)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","465","468","","","","","","","0.0376","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002767","9.7895","0.0013","9.7895","0.0013","6.2021","0.001","90","","90","","120","","514.7","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","Copper manganese uranium molybdenum oxide (0.5/0.5/1/3/12)","","- Cu0.5 Mn0.5 Mo3 O12 U -","- Cu0.5 Mn0.5 Mo3 O12 U -","- Cu Mn Mo6 O24 U2 -","2","0.166667","","Sedello, O; Mueller-Buschbaum, Hk","Zur Kristallstruktur von (Cu, Mn) U Mo3 O12","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","450","452","","","","","","","0.0666","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002768","10.83","0.001","10.83","0.001","37.85999","0.001","90","","90","","120","","3845.6","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Potassium decacalcium heptavanadate","","- Ca10 K O28 V7 -","- Ca10 K O28 V7 -","- Ca60 K6 O168 V42 -","6","0.333333","","Mueller-Buschbaum, Hk; Schrandt, O","K+ auf einer mit Ca2+ unterbesetzten Punktlage in Ca3 (V O4)2: Ein Beitrag ueber K Ca10 V7 O28","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","473","476","","","","","","","0.1837","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002769","9.4578","0.0005","9.4578","0.0005","9.4578","0.0005","90","","90","","90","","846","","","","","","","","","","","","","4","P n -3 m :2","-P 4bc 2bc 3","224","","Trialuminium europium dilead octaoxide","","- Al3 Eu O8 Pb2 -","- Al3 Eu O8 Pb2 -","- Al12 Eu4 O32 Pb8 -","4","0.0833333","","Mueller-Buschbaum, Hk; Werner, J-P","Synthese und Kristallstruktur von Pb2 Ln Al3 O8 (Ln= Eu, Gd)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","883","887","","","","","","","0.0778","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002770","9.4448","0.0007","9.4448","0.0007","9.4448","0.0007","90","","90","","90","","842.5","","","","","","","","","","","","","4","P n -3 m :2","-P 4bc 2bc 3","224","","Trialuminium gadolinium dilead octaoxide","","- Al3 Gd O8 Pb2 -","- Al3 Gd O8 Pb2 -","- Al12 Gd4 O32 Pb8 -","4","0.0833333","","Mueller-Buschbaum, Hk; Werner, J-P","Synthese und Kristallstruktur von Pb2 Ln Al3 O8 (Ln= Eu, Gd)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","883","887","","","","","","","0.1117","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002771","9.255","0.001","6.683","0.001","6.696","0.003","90","","90","","90","","414.2","","","","","","","","","","","","","5","C m m m","-C 2 2","65","","Silver sodium calcium ruthenium oxide (0.4/2.3/4.3/1/8)","","- Ag0.4 Ca4.3 Na2.3 O8 Ru -","- Ag0.4096 Ca4.304 Na2.2864 O8 Ru -","- Ag0.8192 Ca8.608 Na4.5728 O16 Ru2 -","2","0.125","","Mueller-Buschbaum, Hk; Frenzen, S","Eine silberhaltige Phase eines Oxoruthenats: Ag0.4 Na2.3 Ca4.3 Ru O8","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","485","488","","","","","","","0.0407","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002772","6.6359","0.0006","6.6359","0.0006","5.885","0.002","90","","90","","90","","259.1","","","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","Barium palladium dieuropium oxide","","- Ba Eu2 O5 Pd -","- Ba Eu2 O5 Pd -","- Ba2 Eu4 O10 Pd2 -","2","0.125","","Mueller-Buschbaum, Hk; Wulff, L","Weitere Verbindungen mit isolierten quadratischen Pd O4-Polygonen: Ba Pd Ln2 O5 ( Ln = Eu, Gd, Dy, Ho )","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","461","464","","","","","","","0.0534","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002773","6.608","0.003","6.608","0.003","5.873","0.002","90","","90","","90","","256.4","","","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","Barium palladium digadolinium oxide","","- Ba Gd2 O5 Pd -","- Ba Gd2 O5 Pd -","- Ba2 Gd4 O10 Pd2 -","2","0.125","","Mueller-Buschbaum, Hk; Wulff, L","Weitere Verbindungen mit isolierten quadratischen Pd O4-Polygonen: Ba Pd Ln2 O5 (Ln = Eu, Gd, Dy, Ho )","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","461","464","","","","","","","0.0285","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002774","6.5431","0.0007","6.5431","0.0007","5.8574","0.0008","90","","90","","90","","250.8","","","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","Barium palladium didysprosium oxide","","- Ba Dy2 O5 Pd -","- Ba Dy2 O5 Pd -","- Ba2 Dy4 O10 Pd2 -","2","0.125","","Mueller-Buschbaum, Hk; Wulff, L","Weitere Verbindungen mit isolierten quadratischen O4-Polygonen: Ba Pd Ln2 O5 (Ln = Eu, Gd, Dy, Ho )","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","461","464","","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002775","5.663","0.002","9.783","0.003","5.689","0.002","90","","109.95","0.02","90","","296.3","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Trisodium dicadmium iridate(V)","","- Cd2 Ir Na3 O6 -","- Cd2 Ir Na3 O6 -","- Cd4 Ir2 Na6 O12 -","2","0.25","","Mueller-Buschbaum, Hk; Frenzen, S","Zur Kristallchemie eines Natrium-Cadmium-Oxoiridats: Na3 Cd2 Ir O6","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","822","825","","","","","","","0.0333","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002776","11.6566","0.0001","12.8721","0.0001","21.80199","0.0001","90","","90","","90","","3271.3","","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","Bis(trichloroselenium) hexachlorozirconate","","- Cl12 Se2 Zr -","- Cl12 Se2 Zr -","- Cl96 Se16 Zr8 -","8","0.5","","Beck, J; Biedenkopf, P; Mueller-Buschbaum, K; Richter, J.; Schlitt, K.-J.","Die reaktion von Se Cl4 mit Uebergangsmetalltetrachloriden. Synthese und Kristallstrukturen von (Se Cl3)2 M Cl6 mit M=Zr, Hf, Mo, Re","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","292","296","10.1002/zaac.19966220215","","","","","","0.0174","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002777","11.538","0.001","12.677","0.001","21.4742","0.001","90","","90","","90","","3141","","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","Bis(trichloroselenium) hexachlororhenate(IV)","","- Cl12 Re Se2 -","- Cl12 Re Se2 -","- Cl96 Re8 Se16 -","8","0.5","","Beck, J.; Biedenkopf, P.; Mueller-Buschbaum, K; Richter, J.; Schlitt, K.-J.","Die reaktion von Se Cl4 mit Uebergangsmetalltetrachloriden. Synthese und Kristallstrukturen von (Se Cl3)2 M Cl6 mit M=Zr, Hf, Mo, Re","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","292","296","10.1002/zaac.19966220215","","","","","","0.0388","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002778","11.538","0.001","12.677","0.001","21.4742","0.001","90","","90","","90","","3141","","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","Bis(trichloroselenium) hexachloromolybdate(IV)","","- Cl12 Mo Se2 -","- Cl12 Mo Se2 -","- Cl96 Mo8 Se16 -","8","0.5","","Beck, J.; Biedenkopf, P.; Mueller-Buschbaum, K; Richter, J.; Schlitt, K.-J.","Die Reaktion von SeCl4 mit Uebergangsmetalltetrachloriden. Synthese und Kristallstrukturen von ((Se Cl3))2 (M Cl6) mit M=Zr, Hf, Mo, Re","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","292","296","10.1002/zaac.19966220215","","","","","","0.0302","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002779","11.6294","0.0001","12.8498","0.0001","21.7822","0.0001","90","","90","","90","","3255","","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","Bis(trichloroselenium) hexachlorohafnate","","- Cl12 Hf Se2 -","- Cl12 Hf Se2 -","- Cl96 Hf8 Se16 -","8","0.5","","Beck, J; Biedenkopf, P; Mueller-Buschbaum, K; Richter, J; Schlitt, K-J","Die Reaktion von SeCl4 mit Uebergangsmetalltetrachloriden. Synthese und Kristallstrukturen von ((Se Cl3))2 (M Cl6) mit M= Zr, Hf, Mo, Re","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","292","296","10.1002/zaac.19966220215","","","","","","0.0189","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002780","6.744","0.004","15.866","0.004","7.032","0.002","90","","115.412","0.014","90","","679.6","","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Distrontium oxovanadium(IV) bis(phosphate(V))","","- O9 P2 Sr2 V -","- O9 P2 Sr2 V -","- O36 P8 Sr8 V4 -","4","0.5","","Wadewitz, C; Mueller-Buschbaum, Hk","Synthese und Struktur eines Strontium-Vanadyl-Phosphats: Sr (V O) (P O4)2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","929","933","","","","","","","0.0578","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002781","9.943","0.002","9.943","0.002","2.893","0.002","90","","90","","90","","286","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Barium bismuth vanadium oxide (0.5/0.9/8/16)","","- Ba0.5 Bi0.9 O16 V8 -","- Ba0.4568 Bi0.9156 O16 V8 -","- Ba0.4568 Bi0.9156 O16 V8 -","1","0.0625","","Feldmann, J; Mueller-Buschbaum, Hk","Ueber einen Hollandit des Vanadiums: Ba0,5 Bi0,9 V8 O16","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","1037","1039","","","","","","","0.1398","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002782","8.1174","0.0009","5.9699","0.0009","9.2903","0.0009","90","","113.937","0.008","90","","411.5","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Dibarium oxovanadium(IV) bis(vanadate)","","- Ba2 O9 V3 -","- Ba2 O9 V3 -","- Ba4 O18 V6 -","2","1","","Mueller-Buschbaum, Hk; Feldmann, J","Kristallstrukturuntersuchung am Barium-Vanadyl-Vanadat: Ba2 (V O) V2 O8","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","489","492","","","","","","","0.0872","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002783","5.292","0.002","8.45","0.003","7.737","0.003","90","","96.33","0.03","90","","343.9","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Zink magnesium arsenate(V) (2.3/0.7/2)","","- As2 Mg0.72 O8 Zn2.28 -","- As2 Mg0.708 O8 Zn2.292 -","- As4 Mg1.416 O16 Zn4.584 -","2","0.5","","Mueller-Buschbaum, Hk; Frerichs, D","Synthese und Kristallchemie der beta-Form eines gemischten Zinkorthoarsenats:Zn2.28 Mg0.72 (As O4)2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","469","472","","","","","","","0.1058","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002784","6.167","0.003","8.172","0.005","6.4","0.003","90","","116.22","0.03","90","","289.4","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Copper dimangnesium bis(vanadate)","","- Cu Mg2 O8 V2 -","- Cu Mg2 O8 V2 -","- Cu2 Mg4 O16 V4 -","2","0.5","","Mueller-Buschbaum, Hk; Schrandt, O","Zwei monokline Kupferoxovanadate des Magnesiums mit geordneter Metallverteilung: m-Mg2 Cu V2 O8 und Mg Cu2 V2 O8. Ein Beitrag zur Dimorphie von Mg2 Cu V2 O8","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","817","821","","","","","","","0.1517","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002785","6.453","0.001","8.342","0.002","11.517","0.002","90","","90.44","0.02","90","","620","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dicopper magnesium bis(vanadate)","","- Cu2 Mg O8 V2 -","- Cu2 Mg O8 V2 -","- Cu8 Mg4 O32 V8 -","4","1","","Mueller-Buschbaum, Hk; Schrandt, O","Zwei monokline Kupferoxovanadate des Magnesiums mit geordneter Metallverteilung: m-Mg2 Cu V2 O8 und Mg Cu2 V2 O8. Ein Beitrag zur Dimorphie von Mg2 Cu V2 O8","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","817","821","","","","","","","0.1205","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002786","10.1074","0.0011","10.1074","0.0011","11.872","0.002","90","","90","","120","","1050.3","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Sodium tribarium ruthenate(V)","","- Ba3 Na O6 Ru -","- Ba3 Na O6 Ru -","- Ba18 Na6 O36 Ru6 -","6","0.166667","","Frenzen, S; Mueller-Buschbaum, Hk","Ueber Na Ba3 Ru O6 und Na Ba3 Ir O6. Zwei EdelmetallOxometallate mit Sr4 Pt O6-Struktur","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","1204","1206","","","","","","","0.0267","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002787","10.1282","0.0014","10.1282","0.0014","11.905","0.002","90","","90","","120","","1057.6","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Sodium tribarium iridate(V)","","- Ba3 Ir Na O6 -","- Ba3 Ir Na O6 -","- Ba18 Ir6 Na6 O36 -","6","0.166667","","Frenzen, S; Mueller-Buschbaum, Hk","Ueber Na Ba3 Ru O6 und Na Ba3 Ir O6. Zwei EdelmetallOxometallate mit Sr4 Pt O6-Struktur","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","1204","1206","","","","","","","0.0406","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002788","13.3899","0.001","5.7644","0.001","10.3873","0.001","90","","90","","90","","801.7","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dibarium dieuropium zinct platinum octaoxide","","- Ba2 Eu2 O8 Pt Zn -","- Ba2 Eu2 O8 Pt Zn -","- Ba8 Eu8 O32 Pt4 Zn4 -","4","0.5","","Mueller-Buschbaum, Hk; Rabbow, C; Sfreddo, O","Zur Kenntnis eines Barium-Lanthanoid-Oxozinkat/Platinats(IV): Ba2 Eu2 Zn Pt O8","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","1129","1133","10.1002/zaac.19966220705","","","","","","0.0953","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002789","6.4148","0.0007","7.6549","0.0005","8.2241","0.0007","98.521","0.008","112.394","0.008","98.378","0.011","360.1","","","","","","","","","","","","Synthetic","3","P -1","-P 1","2","","Tetracopper oxide bis(arsenate(V))","Ericlaxmanite","- As2 Cu4 O9 -","- As2 Cu4 O9 -","- As4 Cu8 O18 -","2","1","","Staack, M; Mueller-Buschbaum, Hk","Zur Kenntnis des Kupfer-Oxid-Arsenats Cu4 O (As O4)2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","1279","1282","","","","","","","0.0414","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"2002790","16.69899","0.003","5.671","0.002","9.611","0.002","90","","96.92","0.02","90","","903.5","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Dibarium hexanioboditellurate(IV)","","- Ba2 Nb6 O21 Te2 -","- Ba2 Nb6 O21 Te2 -","- Ba4 Nb12 O42 Te4 -","2","0.25","","Mueller-Buschbaum, Hk; Wedel, B","Zur Kristallchemie der Barium-Oxometallat-Tellurite: Ba2 Te2 M6 O21 (M = Niob und Tantal )","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","1411","1414","","","","","","","0.0491","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002791","16.655","0.008","5.667","0.002","9.576","0.004","90","","96.64","0.07","90","","897.8","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Dibarium hexatantalloditellurate(IV)","","- Ba2 O21 Ta6 Te2 -","- Ba2 O21 Ta6 Te2 -","- Ba4 O42 Ta12 Te4 -","2","0.25","","Mueller-Buschbaum, Hk; Wedel, B","Zur Kristallchemie der Barium-Oxometallat-Tellurite: Ba2 Te2 M6 O21 (M = Niob und Tantal )","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","1411","1414","","","","","","","0.0545","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002792","7.242","0.004","12.433","0.003","9.932","0.003","90","","90","","90","","894.3","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dibarium diniobotellurate","","- Ba2 Nb2 O10 Te -","- Ba2 Nb2 O10 Te -","- Ba8 Nb8 O40 Te4 -","4","0.5","","Mueller-Buschbaum, Hk; Wedel, B","Zur Kenntnis eines Barium-Oxoniobat-Tellurats: Ba2 Nb2 Te O10","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","1407","1410","","","","","","","0.0527","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002793","6.8716","0.0013","16.30698","0.004","7.196","0.002","90","","115.67","0.02","90","","726.8","","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Distrontium oxovanadium bis(arsenate(V))","","- As2 O9 Sr2 V -","- As2 O9 Sr2 V -","- As8 O36 Sr8 V4 -","4","0.5","","Wadewitz, C; Mueller-Buschbaum, Hk","Strukturelle Unterschiede zwischen Sr2 (V O) (As O4)2 und Ba2 (V O) (P O4)2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","1290","1294","","","","","","","0.0885","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002794","9.4707","0.0014","5.4433","0.001","16.97197","0.004","90","","101.648","0.013","90","","856.9","","","","","","","","","","","","","4","I 1 2 1","I 2y","5","","Dibarium oxovanadium bis(phosphate(V))","","- Ba2 O9 P2 V -","- Ba2 O9 P2 V -","- Ba8 O36 P8 V4 -","4","1","","Wadewitz, C; Mueller-Buschbaum, Hk","Strukturelle Unterschiede zwischen Sr2 (V O) (As O4)2 und Ba2 (V O) (P O4)2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","1290","1294","","","","","","","0.0681","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002795","10.4881","0.0011","6.3528","0.0014","8.8134","0.0014","90","","90","","90","","587.2","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Lead copper dicuprotellurate","","- Cu3 O7 Pb Te -","- Cu3 O7 Pb Te -","- Cu12 O28 Pb4 Te4 -","4","0.5","","Wedel, B; Mueller-Buschbaum, Hk","Ueber ein Blei-Kupfer-Tellurat Pb Cu3 Te O7 mit Cu2+ in deformiert tetragonal pyramidaler und tetraedrischer Sauerstoffkoordination","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","1587","1590","","","","","","","0.0326","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002799","3.0292","0.0003","3.0292","0.0003","3.2284","0.0003","90","","90","","120","","25.7","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Titanium diboride","","- B2 Ti -","- B2 Ti -","- B2 Ti -","1","0.0416667","","Moehr, S; Mueller-Buschbaum, Hk; Grin, Y; Schnering, H G von","H-Ti O oder Ti B2? - eine Korrektur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","1035","1037","10.1002/zaac.19966220618","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002800","3.031","0.0006","3.031","","3.2377","0.0009","90","","90","","120","","25.8","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Titanium diboride","","- B2 Ti -","- B2 Ti -","- B2 Ti -","1","0.0416667","","Moehr, S; Mueller-Buschbaum, Hk; Grin, Y; Schnering, H G von","H-Ti O oder Ti B2? - eine Korrektur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","1035","1037","10.1002/zaac.19966220618","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002804","11.133","0.003","11.133","","35.46399","0.018","90","","90","","120","","3806.6","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Bis(trichlorotellurium) hexachlororhenate(IV)","","- Cl12 Re Te2 -","- Cl12 Re Te2 -","- Cl108 Re9 Te18 -","9","0.5","","Beck, J; Biedenkopf, P; Mueller-Buschbaum, K","Synthese und Kristallstruktur von (Te Cl3)2 Mo Cl6 und beta-(Te Cl3)2 Re Cl6","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","727","732","","","","","","","0.0344","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002805","11.1692","0.001","11.1692","0.001","35.39499","0.005","90","","90","","120","","3824","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Bis(trichlorotellurium) hexachloromolybdate(IV) - β","","- Cl12 Mo Te2 -","- Cl12 Mo Te2 -","- Cl108 Mo9 Te18 -","9","0.5","","Beck, J.; Biedenkopf, P.; Müller-Buschbaum, K.","Synthese und Kristallstruktur von (TeCl~3~)~2~MoCl~6~ und β-(TeCl~3~)~2~ReCl~6~ / Synthesis and Crystal Structure of (TeCl~3~)~2~MoCl~6~ and β-(TeCl~3~)~2~ReCl~6~","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1996","51","5","727","732","10.1515/znb-1996-0518","","","","","","0.0581","","","","","","","","","","","","","","","has coordinates","200085","2020-10-21","18:00:00",""
"2002806","6.522","0.004","6.522","0.004","5.855","0.005","90","","90","","90","","249.1","","","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","Barium diholmium palladium pentaoxide","","- Ba Ho2 O5 Pd -","- Ba Ho2 O5 Pd -","- Ba2 Ho4 O10 Pd2 -","2","0.125","","Mueller-Buschbaum, Hk; Wulff, L","Weitere Verbindungen mit isolierten quadratischen Pd O4-Polygonen: Ba Pd Ln2 O5 (Ln= Eu, Gd, Dy, Ho)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","461","464","","","","","","","0.0314","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002883","5.1813","0.0007","12.467","0.003","19.34999","0.003","90","","91.93","0.02","90","","1249.2","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Barium diytterbium tetramolybdate","","- Ba Mo4 O16 Yb2 -","- Ba Mo4 O16 Yb2 -","- Ba4 Mo16 O64 Yb8 -","4","0.5","","Gallinat, St; Mueller-Buschbaum, Hk","Zwei Beispiele fuer partielle und totale Defekte im Ba () Ln2 Mo4 O16- Typ: Ba Cu0.41 ()0.59 Pr2 Mo4 O16 und Ba () Yb2 Mo4 O16","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","85","89","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002884","4.039","0.001","4.039","0.001","4.039","0.001","90","","90","","90","","65.9","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Barium niobate(1/0.92)","","- Ba Nb0.92 O2.76 -","- Ba Nb0.92 O2.76 -","- Ba Nb0.92 O2.76 -","1","0.0208333","","Grin, Y; Mueller-Buschbaum, Hk; Schnering, H G von","""Ba Nb3 O6"" ist ein Perowskit Ba Nb O3, eine Korrektur und ein Beitrag zu Ba(x) Nb O3 und Ba () Yb2 Mo4 O16","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","85","89","","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004329","5.311","0.001","9.495","0.001","11.442","0.002","94.13","0.02","93.79","0.02","93.6","0.02","572.92","0.16","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C26 H20 N4 O6 -","2","1","AB1126","Pomés Hernández, R.; Duque Rodríguez, J.; Novoa de Armas, H.; Toscano, R. A.","2-Cyano-<i>N</i>-furfuryl-3-(2-furyl)acrylamide","Acta Crystallographica Section C","1996","52","1","203","205","10.1107/S0108270195008560","","","0.71069","MoKα","","","0.041","","","0.039","","","","","1.17","1.17","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004330","12.981","0.005","14.021","0.004","12.356","0.006","109.81","0.04","117.51","0.03","90.36","0.04","1840.5","1.6","296","","","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H80 Cr Fe Mo6 Na2 O40 -","- C48 Co2 Mo6 Na2 O40 -","- C48 Co2 Mo6 Na2 O40 -","1","0.5","AB1128","Liu, H.; Xu, L.; Huang, J.; Chen, W.; Zhang, Q.","A Novel Octanuclear Mixed-Metal Cluster: Na~2~[Cr~0.5~Fe~0.5~Mo~3~O~4~(O~2~CEt)~8~]~2~","Acta Crystallographica Section C","1996","52","1","69","72","10.1107/S0108270195002927","","","0.71076","MoKα","","","0.056","","","0.064","","","","","1.09","1.09","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004331","8.653","0.002","20.225","0.004","14.724","0.003","90","","90","","90","","2576.8","0.9","293","2","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H9 Cl2 N O4 -","- C14 H9 Cl2 N O4 -","- C112 H72 Cl16 N8 O32 -","8","1","AB1148","Novoa de Armas, H.; Pomés Hernández, R.; Duque Rodríguez, J.; Toscano, R. A.","4,4'-Dichloro-2,2'-iminodibenzoic Acid","Acta Crystallographica Section C","1996","52","1","166","168","10.1107/S0108270195008572","","","1.54178","CuKα","","","0.056","","","0.0747","","","","","1.68","1.68","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004332","9.929","0.002","8.75","0.002","11.23","0.002","90","","107.21","0.02","90","","932","0.3","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4'S)-2-(Benzyl-oxazolidine-2'-one-3'carbonyl)-3-phenylacrylic acid methyl ester","","- C21 H19 N O5 -","- C21 H19 N O5 -","- C42 H38 N2 O10 -","2","1","AB1277","Pohl, E.; Schünke, C.; Tietze, L. F.","(2<i>E</i>,4'<i>S</i>)-2-(4'-Benzyl-2'-oxo-3'-oxazolidinylcarbonyl)-3-phenylacrylic Acid Methyl Ester","Acta Crystallographica Section C","1996","52","1","246","248","10.1107/S0108270195010730","","","0.71073","MoKα","","0.0298","0.0287","","0.0704","0.0693","","","","1.058","1.058","1.058","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004333","12.799","0.005","12.969","0.009","7.885","0.004","90","","99.01","0.04","90","","1292.7","1.2","293","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H26 N6 O20 U2 -","- C12 H40 N8 O20 U2 -","- C24 H80 N16 O40 U4 -","2","0.25","AB1283","Hämäläinen, R.; Turpeinen, U.; Mutikainen, I.","Di-μ-aqua-bis[bis(nitrato-<i>O</i>,<i>O</i>')dioxouranium(VI)] Bis(2-dimethylaminoethanol)","Acta Crystallographica Section C","1996","52","1","16","17","10.1107/S0108270195009255","","","0.71069","MoKα","","","0.057","","","0.062","","","","","2.04","2.04","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004334","12.848","0.004","6.356","0.003","12.391","0.004","90","","113.48","0.05","90","","928.1","0.7","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 N S2 -","- C7 H13 N S2 -","- C28 H52 N4 S8 -","4","1","AB1284","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","5-<i>tert</i>-Butylthiazolidine-2-thione and 5-Phenylthiazolidine-2-thione","Acta Crystallographica Section C","1996","52","1","215","218","10.1107/S0108270195010699","","","0.71073","MoKα","","","0.05","","","0.0486","","","","","0.91","0.91","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004335","10.48","0.003","8.926","0.003","19.503","0.006","90","","90","","90","","1824.4","1","293","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H9 N S2 -","- C9 H9 N S2 -","- C72 H72 N8 S16 -","8","1","AB1284","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","5-<i>tert</i>-Butylthiazolidine-2-thione and 5-Phenylthiazolidine-2-thione","Acta Crystallographica Section C","1996","52","1","215","218","10.1107/S0108270195010699","","","0.71073","MoKα","","","0.038","","","0.04","","","","","1.223","1.223","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004336","18.028","0.002","18.173","0.003","18.856","0.003","90","","113.985","0.011","90","","5644.2","1.5","294","1","294","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Racemic cis-dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)titanium(IV)","","- C22 H38 Cl2 O4 Ti -","- C22 H38 Cl2 O4 Ti -","- C176 H304 Cl16 O32 Ti8 -","8","2","AB1297","Glidewell, C.; Turner, G. M.; Ferguson, G.","Racemic <i>cis</i>-Dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)titanium(IV)","Acta Crystallographica Section C","1996","52","1","11","14","10.1107/S0108270195012224","","","0.7107","MolybdenumKα","","0.2081","0.065","","0.2157","0.1796","","","","0.884","1.376","1.376","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004337","8.7777","0.0007","16.8264","0.0018","11.3773","0.0009","90","","93.077","0.007","90","","1678","0.3","294","1","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Dimethylamino-2-methoxy-3-methyl-6-[1,2-(Z)-dicarbomethoxyvinyl]amino pyrimidin-4-(3H)-one","","- C14 H20 N4 O6 -","- C14 H20 N4 O6 -","- C56 H80 N16 O24 -","4","1","AB1307","Low, J. N.; Ferguson, G.; Cobo, J.; Nogueras, M.; Sánchez, A.","6-[1,2-(<i>Z</i>)-Bis(methoxycarbonyl)vinyl]amino-5-dimethylamino-2-methoxy-3-methyl-4(3<i>H</i>)-pyrimidinone","Acta Crystallographica Section C","1996","52","1","254","256","10.1107/S0108270195012613","","","0.7107","MoKα","","0.0607","0.0386","","0.1169","0.1098","","","","1.058","1.197","1.197","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004338","7.2245","0.0015","8.7974","0.0013","9.181","0.002","81.627","0.013","80.521","0.013","76.58","0.015","556.31","0.19","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","2-amino-4,5-dicarbomethoxy-6-methoxypyridine","","- C10 H12 N2 O5 -","- C10 H12 N2 O5 -","- C20 H24 N4 O10 -","2","1","AB1308","Low, J. N.; Ferguson, G.; Cobo, J.; Melguizo, M.; Nogueras, M.; Sánchez, A.","2-Amino-6-methoxy-4,5-di(methoxycarbonyl)pyridine and 2-Amino-4,5-di(methoxycarbonyl)-6-methylthiopyridine","Acta Crystallographica Section C","1996","52","1","143","145","10.1107/S0108270195012601","","","0.7107","MoKα","","0.0626","0.0468","","0.1408","0.1335","","","","1.127","1.246","1.246","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004339","8.072","0.001","8.6448","0.0014","8.99","0.002","94.35","0.02","111.133","0.013","91.703","0.013","582.35","0.18","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","2-amino-4,5-dicarbomethoxy-6-methylthiopyridine","","- C10 H12 N2 O4 S -","- C10 H12 N2 O4 S -","- C20 H24 N4 O8 S2 -","2","1","AB1308","Low, J. N.; Ferguson, G.; Cobo, J.; Melguizo, M.; Nogueras, M.; Sánchez, A.","2-Amino-6-methoxy-4,5-di(methoxycarbonyl)pyridine and 2-Amino-4,5-di(methoxycarbonyl)-6-methylthiopyridine","Acta Crystallographica Section C","1996","52","1","143","145","10.1107/S0108270195012601","","","0.7107","MoKα","","0.0424","0.0347","","0.0959","0.0922","","","","1.033","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004340","6.9874","0.0004","10.647","0.002","27.0341","0.0016","90","","90","","90","","2011.2","0.4","294","1","294","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-methylthio-5-nitroso-6-N-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)amino- pyrimidin-4-(3H)-one","","- C16 H20 N4 O9 S -","- C16 H20 N4 O9 S -","- C64 H80 N16 O36 S4 -","4","1","AB1309","Cobo, J.; Melguizo, M.; Sánchez, A.; Nogueras, M.; Low, J. N.; Ferguson, G.","2-Methylthio-5-nitroso-6-<i>N</i>-(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosyl)amino-4(3<i>H</i>)-pyrimidinone","Acta Crystallographica Section C","1996","52","1","148","150","10.1107/S0108270195012595","","","0.7107","MoKα","","0.1538","0.0575","","0.1967","0.1578","","","","0.913","1.198","1.198","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004341","7.8019","0.001","15.889","0.002","10.202","0.002","90","","96.24","0.02","90","","1257.2","0.3","294","1","294","1","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)amino-4,5-dicarbomethoxy-6-methoxy- pyridine","","- C21 H26 N2 O12 -","- C21 H26 N2 O12 -","- C42 H52 N4 O24 -","2","1","AB1310","Low, J. N.; Ferguson, G.; Cobo, J.; Melguizo, M.; Nogueras, M.; Sánchez, A.","6-Methoxy-4,5-di(methoxycarbonyl)-2-(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosyl)aminopyridine and 4,5-Di(methoxycarbonyl)-6-methylthio-2-(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosyl)aminopyridine","Acta Crystallographica Section C","1996","52","1","145","148","10.1107/S0108270195012583","","","0.7107","MoKα","","0.0747","0.0417","","0.1028","0.0932","","","","1.009","1.18","1.18","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004342","7.8583","0.0009","15.842","0.002","10.368","0.002","90","","94.047","0.014","90","","1287.5","0.3","294","1","294","1","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)amino-4,5-dicarbomethoxy-6- methylthiopyridine","","- C21 H26 N2 O11 S -","- C21 H26 N2 O11 S -","- C42 H52 N4 O22 S2 -","2","1","AB1310","Low, J. N.; Ferguson, G.; Cobo, J.; Melguizo, M.; Nogueras, M.; Sánchez, A.","6-Methoxy-4,5-di(methoxycarbonyl)-2-(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosyl)aminopyridine and 4,5-Di(methoxycarbonyl)-6-methylthio-2-(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosyl)aminopyridine","Acta Crystallographica Section C","1996","52","1","145","148","10.1107/S0108270195012583","","","0.7107","MoKα","","0.0786","0.0459","","0.1131","0.1032","","","","0.993","1.161","1.161","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004343","4.6528","0.0006","8.98","0.0009","20.5944","0.0014","90","","91.752","0.008","90","","860.08","0.15","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-Amino-1-methyl-5-hydroxoiminomethyluracil Hydrate","","- C6 H10 N4 O4 -","- C6 H10 N4 O4 -","- C24 H40 N16 O16 -","4","1","AB1318","Low, J. N.; Whyte, E. R.; Ferguson, G.; Moreno-Carretero, M. N.; Hueso-Ureña, F.","6-Amino-5-hydroxyiminomethyl-1-methyluracil Hydrate","Acta Crystallographica Section C","1996","52","1","170","172","10.1107/S0108270195013229","","","0.7107","MoKα","","0.0977","0.0453","","0.1159","0.102","","","","0.968","1.152","1.152","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004344","10.3023","0.0009","6.6712","0.0007","33.0305","0.0004","90","","95.489","0.008","90","","2259.7","0.3","294","1","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1:1 mixture of N,N'-bis(trans-2-phenyl-5-hydroxymethyl-1,3-dioxan-5- yl)ethanediamide and N,N'-bis(cis-2-phenyl-5-hydroxymethyl-1,3-dioxan-5- yl)ethanediamide","","- C24 H28 N2 O8 -","- C24 H28 N2 O8 -","- C96 H112 N8 O32 -","4","1","AB1322","Ross, J.-N.; Wardell, J. L.; Low, J. N.; Ferguson, G.","Co-Crystallization of Stereoisomers of <i>N</i>,<i>N</i>'-Bis(2-phenyl-5-hydroxymethyl-1,3-dioxan-5-yl)ethanediamide","Acta Crystallographica Section C","1996","52","1","228","231","10.1107/S0108270195014478","","","0.7107","MolybdenumKα","","0.1013","0.0423","","0.1075","0.0941","","","","0.933","1.126","1.126","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004345","6.2996","0.0011","31.207","0.0012","6.378","0.003","90","","110.57","0.02","90","","1173.9","0.6","294","1","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(trans-2-phenyl-5-hydroxymethyl-1,3-dioxan-5-yl)ethanediamide","","- C24 H28 N2 O8 -","- C24 H28 N2 O8 -","- C48 H56 N4 O16 -","2","0.5","AB1322","Ross, J.-N.; Wardell, J. L.; Low, J. N.; Ferguson, G.","Co-Crystallization of Stereoisomers of <i>N</i>,<i>N</i>'-Bis(2-phenyl-5-hydroxymethyl-1,3-dioxan-5-yl)ethanediamide","Acta Crystallographica Section C","1996","52","1","228","231","10.1107/S0108270195014478","","","0.7107","MolybdenumKα","","0.1309","0.0517","","0.1568","0.1162","","","","0.909","1.107","1.107","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004346","7.307","0.002","12.327","0.001","12.33","0.003","90","","100.12","0.01","90","","1093.3","0.4","298","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C9 H9 N5 O5 -","- C9 H9 N5 O5 -","- C36 H36 N20 O20 -","4","1","AS1156","Smith, G.; Lynch, D. E.; Byriel, K. A.; Kennard, C. H. L.","Molecular Co-Crystals of Carboxylic Acids. 23. The 1:1 Adducts of 3-Amino-1<i>H</i>-1,2,4-triazole with 5-Nitrosalicylic Acid and 3,5-Dinitrosalicylic Acid","Acta Crystallographica Section C","1996","52","1","231","235","10.1107/S0108270195010602","","","0.71073","MoKα","","","0.035","","","0.091","","","","","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004347","24.07","0.005","4.332","0.003","11.8298","0.0005","90","","90","","90","","1233.5","0.9","298","2","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H8 N6 O7 -","- C9 H8 N6 O7 -","- C36 H32 N24 O28 -","4","1","AS1156","Smith, G.; Lynch, D. E.; Byriel, K. A.; Kennard, C. H. L.","Molecular Co-Crystals of Carboxylic Acids. 23. The 1:1 Adducts of 3-Amino-1<i>H</i>-1,2,4-triazole with 5-Nitrosalicylic Acid and 3,5-Dinitrosalicylic Acid","Acta Crystallographica Section C","1996","52","1","231","235","10.1107/S0108270195010602","","","0.71073","MoKα","","","0.037","","","0.087","","","","","0.98","0.98","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004348","10.224","0.001","14.7","0.002","13.069","0.003","90","","103.63","0.02","90","","1908.9","0.6","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cu2 I2 N6 -","- C14 H16 Cu2 I2 N6 -","- C56 H64 Cu8 I8 N24 -","4","1","AS1186","Sheu, S.-C.; Lee, G.-H.; Ho, T.-I.; Lin, Y.-C.; Peng, S.-M.","A Polymeric Cu^I^ Complex of Bis(1-pyrazolylmethyl)(2-pyridylmethyl)amine (BPPA), [Cu~2~(μ-BPPA)(μ-I)~2~]~<i>n~</i>","Acta Crystallographica Section C","1996","52","1","56","59","10.1107/S0108270195009565","","","0.71073","MoKα","","","0.029","","","0.026","","","","","2.89","2.89","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004349","7.242","0.007","14.634","0.004","13.772","0.005","90","","97.89","0.07","90","","1445.7","1.6","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Al N -","- C16 H18 Al N -","- C64 H72 Al4 N4 -","4","1","AS1192","Wang, X.-M.; Sun, H.-S.; Wang, S.-X.; Huang, X.-Y.; You, X.-Z.","Adduct of AlMe~3~ with Benzo[<i>f</i>]quinoline","Acta Crystallographica Section C","1996","52","1","35","37","10.1107/S0108270195009681","","","0.71069","MoKα","","","0.064","","","0.073","","","","","2.11","2.11","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2004350","9.451","0.003","11.916","0.002","23.938","0.007","90","","90","","90","","2695.9","1.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,3-Bis(orthochlorophenyl) thiourea.","","- C13 H10 Cl2 N2 S -","- C13 H10 Cl2 N2 S -","- C104 H80 Cl16 N16 S8 -","8","2","AS1197","Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Janarthanan, N.; Ramadas, K.; Fun, H.-K.","1,3-Bis(2-chlorophenyl)thiourea","Acta Crystallographica Section C","1996","52","1","134","136","10.1107/S0108270195009693","","","0.71073","MoKα","","0.061","0.0449","","0.1162","0.1092","","","","0.964","1.03","1.03","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004351","16.216","0.003","16.216","0.003","16.216","0.003","90","","90","","90","","4264.1","1.4","170","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","","","","","- C14 H37 Co P4 -","- C14 H37 Co P4 -","- C112 H296 Co8 P32 -","8","0.333333","BK1075","Stringer, G.; Taylor, N. J.; Marder, T. B.","Ethynyltetrakis(trimethylphosphine)cobalt(I), [Co(CCH){P(CH~3~)~3~}~4~]","Acta Crystallographica Section C","1996","52","1","80","82","10.1107/S0108270195010304","","","0.71073","MoKα","","","0.0349","","","0.0331","","","","","1.41","1.41","","","","","has coordinates","281832","2023-03-13","07:41:56",""
"2004352","6.132","0.005","13.956","0.018","5.507","0.009","90","","103.2","0.1","90","","458.8","1","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 N2 O6 V2 -","- C4 H12 N2 O6 V2 -","- C8 H24 N4 O12 V4 -","2","0.5","BK1134","Tyrselová, J.; Kuchta, L.; Pavelcík, F.","Piperazine Metavanadate","Acta Crystallographica Section C","1996","52","1","17","19","10.1107/S010827019500850X","","","0.71069","MoKα","","","0.034","","","0.0861","","","","","1.17","1.17","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004353","18.148","0.002","10.424","0.002","12.115","0.002","90","","90.15","0.02","90","","2291.8","0.6","223","5","223","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","3,3-dimethylglutaronitrile","1,5-dicyano-3,3-dimethylpentane","","- C7 H10 N2 -","- C7 H10 N2 -","- C84 H120 N24 -","12","1.5","BK1139","Héroux, A.; Brisse, F.","3,3-Dimethylglutaronitrile","Acta Crystallographica Section C","1996","52","1","224","226","10.1107/S0108270195011814","","","1.5418","CuKα","","0.0517","0.043","","0.1215","0.1168","","","","1.065","1.136","1.136","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004354","6.5104","0.0018","12.812","0.003","13.48","0.002","90","","98.09","0.02","90","","1113.2","0.4","295","","295","","","","","","","","","3","P 1 21 1","P 2yb","4","4-acetoxy-3(2'3'-epoxy-2'-methylbutyroyloxy)cuauhtemone","Rel-1S,2R,4aS,2'S,3'S-1-acetoxy-2-(2',3'-epoxy-2'- methylbutyroyloxy)-7-isopropylidene-1,4a-dimethyl-6-decalone","","- C22 H32 O6 -","- C22 H32 O6 -","- C44 H64 O12 -","2","1","BK1143","Ahmed, A. A.; Ali, B. A.; Krawiec, M.; Watson, W. H.","5-<i>O</i>-Acetylcuauhtemonyl 6-<i>O</i>-2',3'-Epoxy-2'-methylbutyrate","Acta Crystallographica Section C","1996","52","1","235","237","10.1107/S0108270195013424","","","1.54178","CuKα","","","0.0666","","","0.0631","","","","","3.21","3.21","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004355","29.321","0.023","18.671","0.017","4.693","0.003","90","","90","","90","","2569","3","220","2","220","2","","","","","","","","5","P n a 21","P 2c -2n","33","","6-(3-methoxyphenyl)-4-methylthio-2-oxo-2H-1-pyran-3-carbonitrile","","- C14 H11 N O3 S -","- C14 H11 N O3 S -","- C112 H88 N8 O24 S8 -","8","2","BM1028","Kumar, A.; Kumar, N.; Parmar, V. S.; Errington, W.","3-Cyano-6-(3-methoxyphenyl)-4-methylthio-2-pyranone","Acta Crystallographica Section C","1996","52","1","127","129","10.1107/S010827019500967X","","","0.71073","MoKα","","0.0831","0.0513","","0.1666","0.118","","","","1.105","1.105","1.105","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004356","6.16","0.004","16.172","0.006","17.307","0.007","90","","90","","90","","1724.1","1.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N,N'-bis(2-hydroxybenzylidene)-2,2-dimethyl-1,3-propandiamine","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C76 H88 N8 O8 -","4","1","BM1029","Corden, J. P.; Errington, W.; Moore, P.; Wallbridge, M. G. H.","<i>N</i>,<i>N</i>'-Bis(2-hydroxybenzylidene)-2,2-dimethyl-1,3-propanediamine","Acta Crystallographica Section C","1996","52","1","125","127","10.1107/S0108270195009917","","","0.71073","MoKα","","0.1045","0.0378","","0.0773","0.064","","","","0.657","0.895","0.895","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004357","5.392","0.002","67.18","0.08","5.374","0.003","90","","90","","90","","1947","3","288","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C36 H76 Br N -","- C36 H76 Br N -","- C72 H152 Br2 N2 -","2","0.5","BM1031","Nyburg, S. C.","Di-<i>n</i>-octadecylammonium Bromide","Acta Crystallographica Section C","1996","52","1","192","194","10.1107/S0108270195012777","","","1.54184","CuKα","","","0.109","","","0.114","","","","","8.22","8.22","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2004358","13.801","0.001","10.491","0.001","11.795","0.001","90","","105.03","0.01","90","","1649.3","0.3","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","Phenyl-(2-trimethylsilylethynyl)phenylmethanone","","- C18 H18 O Si -","- C18 H18 O Si -","- C72 H72 O4 Si4 -","4","1","BM1032","Garcia, J. G.; Ramos, B.; Rodriguez, A.; Fronczek, F. R.","Phenyl 2-(Trimethylsilylethynyl)phenyl Ketone and 2-(Trimethylsilylethynyl)benzaldehyde","Acta Crystallographica Section C","1996","52","1","259","262","10.1107/S0108270195011243","","","0.71073","MoKα","","","0.056","","","0.046","","","","","1.628","1.628","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004359","7.1006","0.0005","16.88","0.002","10.1754","0.0005","90","","90","","90","","1219.6","0.18","297","","","","","","","","","","","4","I m a 2","","","","(2-trimethylsilylethynyl)-benzaldehyde","","- C12 H14 O Si -","- C12 H14 O Si -","- C48 H56 O4 Si4 -","4","0.5","BM1032","Garcia, J. G.; Ramos, B.; Rodriguez, A.; Fronczek, F. R.","Phenyl 2-(Trimethylsilylethynyl)phenyl Ketone and 2-(Trimethylsilylethynyl)benzaldehyde","Acta Crystallographica Section C","1996","52","1","259","262","10.1107/S0108270195011243","","","1.54184","CuKα","","","0.032","","","0.043","","","","","2.289","2.289","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004360","9.006","0.002","9.655","0.003","12.468","0.003","97.16","0.02","97.22","0.02","97.22","0.02","1056.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(Benzo[a]phenazin-5-yl)-2-acetyloxynaphthalene","","- C28 H18 N2 O2 -","- C28 H18 N2 O2 -","- C56 H36 N4 O4 -","2","1","BM1035","McKee, V.; McCann, M.; Connaughton, N. C.; Kennedy, M. G.","1-(Benzo[<i>a</i>]phenazin-5-yl)-2-acetyloxy-naphthalene, C~28~H~18~N~2~O~2~","Acta Crystallographica Section C","1996","52","1","222","224","10.1107/S0108270195014028","","","0.71073","MoKα","","0.1268","0.0599","","0.1633","0.1273","","","","1.044","1.164","1.164","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004361","11.7739","0.0013","11.7739","0.0013","11.7739","0.0013","90","","90","","90","","1632.2","0.3","293","","293","","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- C8 H12 Li N5 Zn -","- C8 H12 Li N5 Zn -","- C32 H48 Li4 N20 Zn4 -","4","0.0416667","BR1114","Bu, X.; Gier, T. E.; Stucky, G. D.","Tetramethylammonium Lithium Zinc Cyanide, [N(CH~3~)~4~]LiZn(CN)~4~","Acta Crystallographica Section C","1996","52","1","14","16","10.1107/S0108270195009176","","","0.7093","MolybdenumKα","","0.031","0.031","","0.033","0.033","","","","","3.05","3.05","","","","","has coordinates","198643","2020-10-21","18:00:00",""
"2004362","7.4251","0.0008","12.79","0.003","13.723","0.002","90","","90","","90","","1303.2","0.4","292","","292","","","","","","","","","6","C m c m","-C 2c 2","63","Neodymium cobalt hexacyanide tetrahydrate","Neodymium hexacyanocobaltate (III) tetrahydrate","","- C6 H8 Co N6 Nd O4 -","- C6 Co N6 Nd O4 -","- C24 Co4 N24 Nd4 O16 -","4","0.25","BR1115","Mullica, D. F.; Hayward, P. K.; Sappenfield, E. L.","Neodymium Hexacyanocobaltate(III) Tetrahydrate","Acta Crystallographica Section C","1996","52","1","61","63","10.1107/S0108270195010316","","","0.71073","MoKα","","0.024","0.022","","0.214","0.038","","","","","1.301","1.301","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004363","13.184","0.002","9.077","0.002","17.75","0.004","90","","91.98","0.01","90","","2122.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-Hexyl-N-phenyl-2-(5-ethylthioindole)carboxamide","","- C23 H28 N2 O S -","- C23 H28 N2 O S -","- C92 H112 N8 O4 S4 -","4","1","CF1000","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Caubère, C.; Caubère, P.","<i>N</i>-Hexyl-<i>N</i>-phenyl-5-ethylthioindole-2-carboxamide","Acta Crystallographica Section C","1996","52","1","197","199","10.1107/S0108270195007414","","","1.54178","CuKα","","0.1866","0.0636","","0.2605","0.1629","","","","1.004","1.258","1.258","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2004364","12.0031","0.001","19.527","0.003","13.953","0.002","90","","102.3","0.009","90","","3195.3","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2-Bis[penta(phenylthio)phenyl]ethane","","- C74 H54 S10 -","- C74 H54 S10 -","- C148 H108 S20 -","2","0.5","CF1010","Henderson, R. K.; MacNicol, D. D.; Rowan, S. J.","1,2-Bis[2,3,4,5,6-pentakis(phenylthio)phenyl]ethane","Acta Crystallographica Section C","1996","52","1","210","212","10.1107/S0108270195012716","","","0.71073","MoKα","","0.2186","0.0609","","0.1877","0.1296","","","","0.998","1.136","1.136","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004365","10.6896","0.0009","11.9963","0.0009","18.399","0.002","90","","98.748","0.008","90","","2332","0.4","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cyclopentadienyl(phenylthiolato)bis(t-butylisocyanide)carbonylmolybdenum(II)","","- C22 H28 Mo N2 O S -","- C22 H28 Mo N2 O S -","- C88 H112 Mo4 N8 O4 S4 -","4","1","CF1015","McDermott, L. C.; Muir, K. W.; Pétillon, F. Y.; Poder-Guillou, S.; Schollhammer, P.","<i>cis</i>-(Benzenethiolato)bis(<i>tert</i>-butyl isocyanide)carbonyl(cyclopentadienyl)molybdenum(II), [Mo(C~6~H~5~S)(C~5~H~9~N)~2~(C~5~H~5~)(CO)]","Acta Crystallographica Section C","1996","52","1","74","77","10.1107/S0108270195009486","","","0.71073","MoKα","","0.1061","0.0522","","0.1117","0.092","","","","1.009","1.064","1.064","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004366","25.4909","0.0004","14.586","0.0012","7.4","0.002","90","","90","","90","","2751.4","0.8","150","","150","","","","","","","","","2","P n a 21","P 2c -2n","33","triphenylmethane","","","- C19 H16 -","- C19 H16 -","- C152 H128 -","8","2","CF1020","Veldman, N.; Spek, A. L.; Schlotter, J. J. H.; Zwikker, J. W.; Jenneskens, L. W.","Low-Temperature Triphenylmethane","Acta Crystallographica Section C","1996","52","1","174","177","10.1107/S0108270195011164","","","0.71073","MoKα","","0.129","0.054","","","0.129","","","","0.971","0.971","0.971","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004367","9.2634","0.001","13.9834","0.0014","14.2332","0.0012","90","","90.701","0.011","90","","1843.5","0.3","294","1","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-Tetracarbonylbis(tri-t-butyl phosphite)molybdenum(0)","","- C28 H54 Mo O10 P2 -","- C28 H54 Mo O10 P2 -","- C56 H108 Mo2 O20 P4 -","2","0.5","CF1022","Alyea, E. C.; Ferguson, G.; Song, S.-Q.","<i>trans</i>-Tetracarbonylbis(tri-<i>tert</i>-butyl phosphite)molybdenum(0)","Acta Crystallographica Section C","1996","52","1","66","69","10.1107/S0108270195007803","","","0.7107","MoKα","","0.0607","0.0388","","0.1059","0.0992","","","","1.034","1.141","1.141","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004368","9.8502","0.0011","20.462","0.002","9.2056","0.0012","90","","90","","90","","1855.4","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Cyano-2-methylsparteine perchlorate","","- C17 H28 Cl N3 O4 -","- C17 H28 Cl N3 O4 -","- C68 H112 Cl4 N12 O16 -","4","1","CF1028","Kubicki, M.; Borowiak, T.; Boczoń, Wł.","2-Cyano-2-methylsparteine Perchlorate","Acta Crystallographica Section C","1996","52","1","226","228","10.1107/S0108270195011231","","","1.54178","CuKα","","0.055","0.055","","0.148","0.148","","","","1.055","1.055","1.055","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2004369","22.162","0.017","5.565","0.004","10.57","0.011","90","","109.33","0.07","90","","1230.1","1.9","220","2","220","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-nitro-2-furan carboxylic acid","","- C5 H3 N O5 -","- C5 H3 N O5 -","- C40 H24 N8 O40 -","8","1","CF1029","Alcock, N. W.; Errington, W.; Kemp, T. J.; Leciejewicz, J.","5-Nitro-2-furancarboxylic Acid","Acta Crystallographica Section C","1996","52","1","188","189","10.1107/S0108270195012789","","","0.71073","MoKα","","0.0429","0.0355","","0.0958","0.0897","","","","1.05","1.071","1.071","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2004370","14.341","0.005","12.451","0.007","23.866","0.013","90","","90","","90","","4262","4","293","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C29 H72 Cl2 Cu3 N8 O5 -","- C30 H76 Cl2 Cu3 N8 O6 -","- C120 H304 Cl8 Cu12 N32 O24 -","4","0.5","CF1030","Wang, S.","Cu~3~(bdmap)~4~Cl~2~(CH~3~OH), bdmap = 1,3-Bis(dimethylamino)-2-propanolato. A Clamp-Shaped Molecule","Acta Crystallographica Section C","1996","52","1","41","43","10.1107/S0108270195009462","","","0.71073","MoKα","","","0.068","","","0.052","","","","","2.42","2.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004371","8.269","0.004","11.31","0.005","12.332","0.005","92.45","0.03","95.02","0.03","105.78","0.04","1102.9","0.9","150","0.2","150","0.2","","","","","","","","6","P -1","-P 1","2","","catena-{1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane-S,S'-mercury(II)- bis(μ-chloro)-mercury(II)dichloride}","","- C12 H24 Cl4 Hg2 O4 S2 -","- C12 H24 Cl4 Hg2 O4 S2 -","- C24 H48 Cl8 Hg4 O8 S4 -","2","1","CF1033","Blake, A. J.; Parsons, S.; Radek, C.; Schröder, M.","<i>catena</i>-{[HgCl~2~([18]aneS~2~O~4~)]HgCl~2~} at 150K: a Redetermination and Reinterpretation","Acta Crystallographica Section C","1996","52","1","21","24","10.1107/S0108270195008717","","","0.71073","MoKα","","0.0375","0.0342","","0.0933","0.0871","","","","1.109","1.119","1.119","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004372","12.525","0.003","8.49","0.002","15.697","0.006","90","","104.19","0.03","90","","1618.2","0.9","299","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H24 O3 -","- C18 H24 O3 -","- C72 H96 O12 -","4","1","CR1175","Gi, H.-J.; Wang, T.; Zhao, K.","1β-(4-Methoxybenzyl)-8α-vinyl-7-oxabicyclo[4.3.0]nonan-6β-ol","Acta Crystallographica Section C","1996","52","1","186","187","10.1107/S0108270195008225","","","0.71073","MoKα","","","0.057","","","0.061","","","","","5.7","5.7","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004373","7.0549","0.001","12.4741","0.001","14.1928","0.001","90","","90","","90","","1249","0.2","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 O5 -","- C12 H11 N3 O5 -","- C48 H44 N12 O20 -","4","1","CR1177","Moreno Fuquen, R.; De Almeida Santos, R. H.; Lechat, J. R.","The 1:1 Complex Formed by 4-Nitropyridine <i>N</i>-Oxide and 4-Aminobenzoic Acid","Acta Crystallographica Section C","1996","52","1","220","222","10.1107/S0108270195010262","","","0.71073","MoKα","","0.0665","0.0448","","0.131","0.1134","","","","1.83","1.796","1.796","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004374","9.302","0.0008","14.08","0.001","14.1587","0.0012","90","","90","","90","","1854.4","0.3","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-O-Acetyl-7,8-dihydromorphine-6-O-sulfate","","- C19 H23 N O7 S -","- C19 H23 N O7 S -","- C76 H92 N4 O28 S4 -","4","1","CR1191","Brock, C. P.; Kottayil, S.; Butterfield, D. A.; Crooks, P. A.","A Dihydromorphine-6-<i>O</i>-sulfate","Acta Crystallographica Section C","1996","52","1","122","125","10.1107/S0108270195010250","","","0.71073","MoKα","","0.1287","0.0419","","0.1224","0.0994","","","","1.007","1.163","1.163","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004375","7.179","0.0004","7.819","0.0004","17.987","0.002","90","","92.44","0.01","90","","1008.74","0.14","295","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","1-Bromo-2,7-dimethylnaphthalene","","- C12 H11 Br -","- C12 H11 Br -","- C48 H44 Br4 -","4","1","CR1195","Brown, L. A.; Laxman, R. K.; Maverick, A. W.; Fronczek, F. R.","1-Bromo-2,7-dimethylnaphthalene","Acta Crystallographica Section C","1996","52","1","95","97","10.1107/S0108270195010274","","","0.71073","MoKα","","","0.058","","","0.042","","","","","1.657","1.657","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004376","17.649","0.003","16.428","0.001","18.743","0.003","90","","106.636","0.007","90","","5206.8","1.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dicyclohexylammonium bis(dimethyldithiocarbamyl)acetate","","- C20 H37 N3 O2 S4 -","- C20 H37 N3 O2 S4 -","- C160 H296 N24 O16 S32 -","8","2","DE1009","Ng, S. W.","Dicyclohexylammonium Bis(dimethyldithiocarbamyl)acetate","Acta Crystallographica Section C","1996","52","1","181","183","10.1107/S0108270195011279","","","0.71073","MoKα","","0.0764","0.0462","","0.1225","0.1055","","","","1.015","1.059","1.059","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004377","14.265","0.004","14.261","0.003","3.305","0.001","88.41","0.02","91.7","0.03","119.95","0.03","582.2","0.3","295","2","","","","","","","","","","4","P 1","P 1","1","","","","- C Li Na O3 -","- C Li Na O3 -","- C9 Li9 Na9 O27 -","9","9","","Yatsenko, Alexandr V.; Zhukov, Sergei G.; D'yakov, Vladimir A.; Schenk, Hendrik.","Triclinic α-LiNaCO~3~","Acta Crystallographica, Section C: Crystal Structure Communications","1996","52","1","1","3","10.1107/s0108270195010584","","","","","","","","","","","","","","","","","","","","","has coordinates","200801","2020-10-21","18:00:00",""
"2004378","10.679","0.003","6.618","0.004","6.978","0.004","90","","90","","90","","493.2","0.4","293","2","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As K Mo O6 -","- As K Mo O6 -","- As4 K4 Mo4 O24 -","4","0.5","","Zid, M. F.; Jouini, T.","KMoO~2~AsO~4~","Acta Crystallographica, Section C: Crystal Structure Communications","1996","52","1","3","5","10.1107/s0108270195010572","","","","","","","","","","","","","","","","","","","","","has coordinates","200801","2020-10-21","18:00:00",""
"2004379","8.641","0.004","21.921","0.004","16.298","0.004","90","","97.67","0.03","90","","3059.5","1.7","296","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H36 Ag2 N4 O S8 W2 -","- C12 H36 Ag2 N4 O S8 W2 -","- C48 H144 Ag8 N16 O4 S32 W8 -","4","0.5","FG1066","Huang, Q.; Wu, X.; Sheng, T.; Wang, Q.","The Polymeric Cluster Compound [(tmenH~2~).(W~2~Ag~2~S~8~).(tmen).(H~2~O)]~<i>n~</i> (tmen = <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediamine)","Acta Crystallographica Section C","1996","52","1","29","31","10.1107/S0108270195009000","","","0.71073","MoKα","","","0.053","","","0.054","","","","","1.44","1.44","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2004380","8.848","0.004","10.77","0.005","11.335","0.006","100.27","0.02","101.96","0.02","113.93","0.02","923.4","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Dicarbonyl(1,10-phenanthroline)[(1,2,3-η)-2-propenyl]molybdenum Trifluoroacetate","","- C19 H13 F3 Mo N2 O4 -","- C19 H13 F3 Mo N2 O4 -","- C38 H26 F6 Mo2 N4 O8 -","2","1","FG1067","Eriksson, L.; Sjögren, M. P. T.; Åkermark, B.","(η^3^-Allyl)dicarbonyl(1,10-phenanthroline)(trifluoroacetato)molybdenum, (I), and [<i>syn</i>(1,2,3-η)-2-Butenyl]dicarbonyl(1,10-phenanthroline)(trifluoroacetato)molybdenum, (II)","Acta Crystallographica Section C","1996","52","1","77","80","10.1107/S0108270195009425","","","0.7106","MoKα","","0.0366","0.0302","","0.0744","0.0715","","","","1.042","1.072","1.072","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004381","20.191","0.009","7.009","0.003","28.944","0.017","90","","109.4","0.02","90","","3864","3","293","2","293","2","","","","","","","","6","A 1 2/n 1","-A 2yab","15","","Dicarbonyl(1,10-phenantroline)[syn-(1,2,3-η)-2-butenyl]molybdenum Trifluoroacetate","","- C20 H15 F3 Mo N2 O4 -","- C20 H15 F3 Mo N2 O4 -","- C160 H120 F24 Mo8 N16 O32 -","8","1","FG1067","Eriksson, L.; Sjögren, M. P. T.; Åkermark, B.","(η^3^-Allyl)dicarbonyl(1,10-phenanthroline)(trifluoroacetato)molybdenum, (I), and [<i>syn</i>(1,2,3-η)-2-Butenyl]dicarbonyl(1,10-phenanthroline)(trifluoroacetato)molybdenum, (II)","Acta Crystallographica Section C","1996","52","1","77","80","10.1107/S0108270195009425","","","0.7106","MoKα","","0.1339","0.0697","","0.0905","0.0791","","","","1.034","1.191","1.191","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004382","20.275","0.006","17.006","0.004","11.038","0.004","90","","90","","90","","3806","2","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","(dl)-Pheniramine hydrogen maleate","","","- C20 H2 N O4 -","- C20 H24 N2 O4 -","- C160 H192 N16 O32 -","8","1","FG1077","Parvez, M.; Rusiewicz, M.","<small>DL</small>-Pheniramine Hydrogen Maleate","Acta Crystallographica Section C","1996","52","1","83","85","10.1107/S010827019501047X","","","0.71069","MoKα","","","0.069","","","0.069","","","","","2.64","2.64","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004383","15.915","0.002","10.777","0.002","14.387","0.002","90","","92.681","0.012","90","","2464.9","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(acetato)bis(pyridine-2-amidoxime-N,N')nickel(II) - Ethanol (1/2)","","- C20 H32 N6 Ni O8 -","- C20 H32 N6 Ni O8 -","- C80 H128 N24 Ni4 O32 -","4","0.5","FG1090","Werner, M.; Berner, J.; Jones, P. G.","Bis(acetato)bis(pyridine-2-amidoxime-<i>N</i>,<i>N</i>')nickel(II)‒Ethanol (1/2)","Acta Crystallographica Section C","1996","52","1","72","74","10.1107/S0108270195009413","","","0.71073","MoKα","","0.0686","0.0454","","0.1002","0.0899","","","","1.042","1.071","1.071","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004384","8.016","0.001","11.552","0.001","14.409","0.002","90","","90","","90","","1334.3","0.3","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 N2 O3 -","- C12 H20 N2 O3 -","- C48 H80 N8 O12 -","4","1","HA1110","Charalambous, J.; Thomas, T. A.; Carugo, O.; Castellani, C. B.","5-Hexylamino-1,2-benzoquinone 2-Oxime Monohydrate","Acta Crystallographica Section C","1996","52","1","150","152","10.1107/S0108270195003696","","","1.54184","CuKα","","","0.046","","","0.023","","","","","1.12","1.12","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2004385","9.7749","0.0014","16.821","0.003","15.293","0.002","90","","99.501","0.014","90","","2480","0.7","150","0.2","150","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Potassium-dibenzo[18]crown-6 triiodide","[(dibenzo[b,k][1,4,7,10,13,16]hexaoxa-cyclooctadeca-2,11-diene)potassium] triiodide","","- C20 H24 I3 K O6 -","- C20 H24 I3 K O6 -","- C80 H96 I12 K4 O24 -","4","1","HA1143","Blake, A. J.; Gould, R. O.; Parsons, S.; Radek, C.; Schröder, M.","Potassium Dibenzo-18-crown-6 Triiodide","Acta Crystallographica Section C","1996","52","1","24","27","10.1107/S0108270195010626","","","0.71073","MoKα","","0.0543","0.0419","","0.1159","0.1056","","","","1.046","1.084","1.084","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2004386","8.446","0.003","23.76","0.08","10.454","0.002","90","","90","","90","","2098","7","293","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C11 H10 N2 O S -","- C11 H10 N2 O S -","- C88 H80 N16 O8 S8 -","8","1","HA1147","Hansell, D. P.; Robinson, K. J.; Wallis, J. D.; Povey, D. C.","<i>N</i>-[3-Methyl-2(3<i>H</i>)-thiazolylidene]benzamide Containing a Short Intramolecular S···O Contact","Acta Crystallographica Section C","1996","52","1","136","139","10.1107/S0108270195011577","","","0.71069","MoKα","","","0.041","","","0.045","","","","","1.42","1.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004387","6.814","0.002","12.083","0.006","13.762","0.007","90","","96.15","0.03","90","","1126.6","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[triaqua(2-aminopyrimidine)μu-sulphato-o,o^,^-cobalt(II)] dihydrate","","- C8 H26 Co2 N6 O16 S2 -","- C8 H26 Co2 N6 O16 S2 -","- C16 H52 Co4 N12 O32 S4 -","2","0.5","HR1034","Lumme, P. O.; Knuuttila, H.; Lindell, E.","Di-μ-sulfato-<i>O</i>:<i>O</i>'-bis[(2-aminopyrimidine-<i>N</i>^1^)triaquacobalt(II)] Dihydrate (1), <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)diaquanickel(II)-μ-sulfato-<i>O</i>:<i>O</i>' 2-Aminopyrimidine] (2), (2-Aminopyrimidine-<i>N</i>^1^)pentaaquanickel(II) Sulfate 2-Aminopyrimidine (3) and <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)aquacopper(ii)-μ-sulfato-<i>O</i>:<i>O</i>' Dihydrate] (4)","Acta Crystallographica Section C","1996","52","1","51","56","10.1107/S0108270195001338","","","0.71069","MoKα","","0.118","0.061","","0.128","0.055","","","","4.477","2.44","2.44","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004388","6.426","0.003","11.027","0.006","13.68","0.01","93.11","0.06","90.64","0.06","95.06","0.04","964","1","295","1","295","1","","","","","","","","6","P -1","-P 1","2","","catena-[Diaqua2(2-aminopyrimidine)-μ-sulphato-o,o^,^-nickel(II)] 2-aminopyrimidine","","- C12 H19 N9 Ni O6 S -","- C12 H19 N9 Ni O6 S -","- C24 H38 N18 Ni2 O12 S2 -","2","1","HR1034","Lumme, P. O.; Knuuttila, H.; Lindell, E.","Di-μ-sulfato-<i>O</i>:<i>O</i>'-bis[(2-aminopyrimidine-<i>N</i>^1^)triaquacobalt(II)] Dihydrate (1), <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)diaquanickel(II)-μ-sulfato-<i>O</i>:<i>O</i>' 2-Aminopyrimidine] (2), (2-Aminopyrimidine-<i>N</i>^1^)pentaaquanickel(II) Sulfate 2-Aminopyrimidine (3) and <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)aquacopper(ii)-μ-sulfato-<i>O</i>:<i>O</i>' Dihydrate] (4)","Acta Crystallographica Section C","1996","52","1","51","56","10.1107/S0108270195001338","","","0.71069","MoKα","","0.193","0.092","","0.105","0.069","","","","3.113","3.02","3.02","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004389","7.28","0.002","10.391","0.003","22.329","0.007","90","","90","","90","","1689.1","0.9","295","1","295","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[Pentaaqua(2-aminopyrimidine)nickel(II)]2-aminopyrimidine","","- C8 H20 N6 Ni O9 S -","- C8 H20 N6 Ni O9 S -","- C32 H80 N24 Ni4 O36 S4 -","4","1","HR1034","Lumme, P. O.; Knuuttila, H.; Lindell, E.","Di-μ-sulfato-<i>O</i>:<i>O</i>'-bis[(2-aminopyrimidine-<i>N</i>^1^)triaquacobalt(II)] Dihydrate (1), <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)diaquanickel(II)-μ-sulfato-<i>O</i>:<i>O</i>' 2-Aminopyrimidine] (2), (2-Aminopyrimidine-<i>N</i>^1^)pentaaquanickel(II) Sulfate 2-Aminopyrimidine (3) and <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)aquacopper(ii)-μ-sulfato-<i>O</i>:<i>O</i>' Dihydrate] (4)","Acta Crystallographica Section C","1996","52","1","51","56","10.1107/S0108270195001338","","","0.71069","MoKα","","0.052","0.034","","0.049","0.036","","","","3.275","2.48","2.48","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004390","4.927","0.002","19.119","0.009","7.93","0.004","90","","94.77","0.03","90","","744.4","0.6","295","1","295","1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","catena-[Aqua2(2-aminopyrimidine)-μ-o,o~,~ -copper(II)] dihydrate","","- C8 H16 Cu N6 O7 S -","- C8 H16 Cu N6 O7 S -","- C16 H32 Cu2 N12 O14 S2 -","2","0.5","HR1034","Lumme, P. O.; Knuuttila, H.; Lindell, E.","Di-μ-sulfato-<i>O</i>:<i>O</i>'-bis[(2-aminopyrimidine-<i>N</i>^1^)triaquacobalt(II)] Dihydrate (1), <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)diaquanickel(II)-μ-sulfato-<i>O</i>:<i>O</i>' 2-Aminopyrimidine] (2), (2-Aminopyrimidine-<i>N</i>^1^)pentaaquanickel(II) Sulfate 2-Aminopyrimidine (3) and <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)aquacopper(ii)-μ-sulfato-<i>O</i>:<i>O</i>' Dihydrate] (4)","Acta Crystallographica Section C","1996","52","1","51","56","10.1107/S0108270195001338","","","0.71069","MoKα","","0.065","0.039","","0.042","0.035","","","","1.742","2.06","2.06","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004391","7.5415","0.001","18.3253","0.0024","13.382","0.003","90","","90","","90","","1849.4","0.5","298","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H24 Ge O8 -","- C16 H24 Ge O8 -","- C64 H96 Ge4 O32 -","4","0.5","HU1094","Chiang, H.-C.; Hwang, S.-F.; Ueng, C.-H.","Bis(1,2-benzenediolato)dimethanolgermanium(IV)","Acta Crystallographica Section C","1996","52","1","31","33","10.1107/S0108270195007463","","","0.7107","MoKα","","","0.035","","","0.039","","","","","2.36","2.36","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004392","9.84","0.002","10.379","0.004","13.804","0.003","111.5","0.02","105.4","0.02","102.12","0.02","1188.1","0.7","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 As O2 Se -","- C27 H23 As O2 Se -","- C54 H46 As2 O4 Se2 -","2","1","JZ1054","Lu, W.-M.; Huang, Z.-Z.; Huang, X.","α-Phenylselenomethoxycarbonylmethyl(triphenyl)arsorane","Acta Crystallographica Section C","1996","52","1","89","91","10.1107/S0108270195007815","","","0.71073","MoKα","","","0.048","","","0.054","","","","","1.973","1.973","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004393","8.988","0.006","16.861","0.004","17.737","0.002","90","","96.48","0.03","90","","2670.8","1.9","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,8-Dichloro-1,1,2,2-tetraphenylnaphthocyclobutene","","- C36 H24 Cl2 -","- C36 H24 Cl2 -","- C144 H96 Cl8 -","4","1","JZ1061","Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I.","Extremely Long C—C Bonds in Strained 1,1,2,2-Tetraphenylcyclobutaarenes: 3,8-Dichloro-1,1,2,2-tetraphenylcyclobuta[<i>b</i>]naphthalene, C~36~H~24~Cl~2~, and 3,6,9,10-Tetrachloro-4,5-dimethyl-1,1,2,2,7,7,8,8-octaphenyldicyclobuta[<i>b</i>,<i>h</i>]phenanthrene Toluene Solvate, C~68~H~46~Cl~4~.1.5C~7~H~8~","Acta Crystallographica Section C","1996","52","1","177","180","10.1107/S0108270195011097","","","0.7107","MoKα","","0.0696","0.048","","0.156","0.1391","","","","0.924","0.965","0.965","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004394","11.415","0.004","14.316","0.002","18.785","0.004","85.29","0.02","79.11","0.03","82.63","0.03","2984.3","1.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","4,5,8,11-tetrachloro-9,10-dimethyl-1,1,2,2,6,6,7,7-octaphenyl- phenanthrodicyclobutene toluene solvate","","- C78.5 H58 Cl4 -","- C78.5 H54 Cl4 -","- C157 H108 Cl8 -","2","1","JZ1061","Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I.","Extremely Long C—C Bonds in Strained 1,1,2,2-Tetraphenylcyclobutaarenes: 3,8-Dichloro-1,1,2,2-tetraphenylcyclobuta[<i>b</i>]naphthalene, C~36~H~24~Cl~2~, and 3,6,9,10-Tetrachloro-4,5-dimethyl-1,1,2,2,7,7,8,8-octaphenyldicyclobuta[<i>b</i>,<i>h</i>]phenanthrene Toluene Solvate, C~68~H~46~Cl~4~.1.5C~7~H~8~","Acta Crystallographica Section C","1996","52","1","177","180","10.1107/S0108270195011097","","","0.7107","MoKα","","0.0733","0.061","","0.1953","0.1863","","","","1.317","1.397","1.397","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004395","6.522","0.003","6.852","0.001","10.539","0.001","71.24","0.01","78.88","0.03","63.29","0.03","397.7","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","2,8-Dithia-1-phospha-5-arsabicyclo[3.3.0]octan-1-oxide","","- C4 H8 As O P S2 -","- C4 H8 As O P S2 -","- C8 H16 As2 O2 P2 S4 -","2","1","JZ1062","Jurkschat, K.; Schollmeyer, D.","2,8-Dithia-1-phospha-5-arsabicyclo[3.3.0]octane 1-Oxide","Acta Crystallographica Section C","1996","52","1","250","252","10.1107/S0108270195011449","","","0.7107","MoKα","","0.036","0.0297","","0.0826","0.0797","","","","1.12","1.146","1.146","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004396","10.26","0.007","10.819","0.005","16.266","0.009","90","","106.07","0.07","90","","1735","1.8","295","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N2 O5 -","- C17 H22 N2 O5 -","- C68 H88 N8 O20 -","4","2","KA1119","Tomas, A.; Lemoine, P.; Viossat, B.; Robin, S.; Zhu, J.; Galons, H.","(<i>S</i>)-3-(1,1-Dimethyloxycarbonylamino)-1-phenylmethyloxypiperidine-2,6-dione, C~17~H~22~N~2~O~5~","Acta Crystallographica Section C","1996","52","1","199","201","10.1107/S010827019500905X","","","0.71069","MoKα","","","0.058","","","0.06","","","","","1.01","1.01","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004397","10.262","0.003","10.595","0.003","11.95","0.004","88.36","0.02","84.28","0.02","83.07","0.02","1283.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(1,10-phenanthroline)cyanocopper(II) Tricyanomethanide Dihydrate.","","- C29 H20 Cu N8 O2 -","- C29 H20 Cu N8 O2 -","- C58 H40 Cu2 N16 O4 -","2","1","KA1132","Potočňák, I.; Dunaj-Jurčo, M.; Mikloš, D.; Jäger, L.","Cyanobis(1,10-phenanthroline)copper(II) Tricyanomethanide Dihydrate","Acta Crystallographica Section C","1996","52","1","48","50","10.1107/S0108270195008638","","","0.71069","MoKα","","0.0975","0.0438","","0.1196","0.1084","","","","0.913","1.094","1.094","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2004398","16.451","0.001","9.481","0.001","16.577","0.001","90","","102.34","0.01","90","","2525.8","0.4","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","dimethyl 2,3-bis(diphenylmethylene)-1,4-butanedicarboxylate or 2,3-di(methyl carboxylate)-1,1,4,4-tetraphenyl-1,3-butadiene","","- C32 H26 O4 -","- C32 H26 O4 -","- C128 H104 O16 -","4","0.5","KA1141","Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I.","Conformation of Acyclic Derivatives of 1,1,4,4-Tetraphenyl-1,3-butadiene","Acta Crystallographica Section C","1996","52","1","118","122","10.1107/S0108270195011358","","","0.71073","MoKα","","0.0616","0.0497","","0.1551","0.1436","","","","1.021","1.061","1.061","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004399","10.3","0.008","16.004","0.002","17.788","0.003","90","","92.06","0.03","90","","2930","2","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,3-bis(diphenylmethylene)-1,4-butanedioic acid diethanol solvate or 2,3-dicarboxylic acid-1,1,4,4-tetraphenyl-1,3-butadiene diethanol solvate","","- C34 H34 O6 -","- C34 H34 O6 -","- C136 H136 O24 -","4","1","KA1141","Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I.","Conformation of Acyclic Derivatives of 1,1,4,4-Tetraphenyl-1,3-butadiene","Acta Crystallographica Section C","1996","52","1","118","122","10.1107/S0108270195011358","","","0.71073","MoKα","","0.1192","0.0832","","0.2542","0.2181","","","","1.341","1.51","1.51","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004400","14.643","0.004","8.889","0.001","19.682","0.004","90","","105.22","0.02","90","","2472","0.9","295","2","295","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","2,3-dimethylbromide-1,1,4,4-tetraphenyl-1,3-butadiene","","- C30 H24 Br2 -","- C30 H24 Br2 -","- C120 H96 Br8 -","4","1","KA1141","Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I.","Conformation of Acyclic Derivatives of 1,1,4,4-Tetraphenyl-1,3-butadiene","Acta Crystallographica Section C","1996","52","1","118","122","10.1107/S0108270195011358","","","0.71073","MoKα","","0.1347","0.1013","","0.2372","0.2224","","","","1.316","1.522","1.522","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004401","9.267","0.002","10.344","0.003","12.149","0.002","97.29","0.02","104.51","0.02","105.49","0.02","1062.8","0.5","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 N2 O14 S2 -","- C46 H46 N2 O16 S2 -","- C46 H46 N2 O16 S2 -","1","0.5","KA1145","Bien, J. T.; Shang, M.; Smith, B. D.","7,7'-Bis[(aza-18-crown-6)carbonyl]thioindigo","Acta Crystallographica Section C","1996","52","1","183","186","10.1107/S0108270195012455","","","0.71073","MoKα","","","0.05085","","","0.06747","","","","","2.256","2.256","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004402","32.549","0.008","6.604","0.001","14.933","0.005","90","","95.21","0.02","90","","3196.6","1.4","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H50 Cl2 Zr -","- C32 H50 Cl2 Zr -","- C128 H200 Cl8 Zr4 -","4","0.5","KH1008","Tian, J.; Li, H.; Hu, N.-H.; Huang, B.-T.","A New Zirconocene Complex, [{η^5^-C~5~H~4~-C(CH~2~)~5~(CH~2~)~2~CH(CH~3~)~2~}~2~ZrCl~2~]","Acta Crystallographica Section C","1996","52","1","19","21","10.1107/S0108270195005543","","","0.71073","MoKα","","","0.035","","","0.044","","","","","1.23","1.23","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004403","10.38","0.007","4.65","0.004","16.04","0.01","90","","92.25","0.07","90","","773.6","1","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C40 H28 N4 O4 -","2","0.5","KH1043","Yoneda, A.; Hakushi, T.; Newkome, G. R.; Matsushita, T.","<i>trans</i>-1,2-Bis(8-hydroxy-2-quinolinyl)ethene: Comparison with <i>trans</i>-Stilbene","Acta Crystallographica Section C","1996","52","1","172","174","10.1107/S0108270195011450","","","0.71069","MoKα","","","0.036","","","0.032","","","","","2.45","2.45","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004404","13.527","0.004","15.592","0.005","12.429","0.006","104.91","0.03","94.72","0.03","101.19","0.02","2460.7","1.7","296","","","","","","","","","","","9","P -1","-P 1","2","","","","- C44 H50 Ag Br2 Fe N P2 S4 W -","- C44 H50 Ag Br2 Fe N P2 S4 W -","- C88 H100 Ag2 Br4 Fe2 N2 P4 S8 W2 -","2","1","KH1045","Lin, P.; Huang, Q.; Sheng, T.; Wu, X.","The Heterotrimetallic Linear Complex Tetraethylammonium Dibromo-2κ^2^<i>Br</i>-tetra-μ-sulfido-1:2κ^4^<i>S</i>;1:3κ^4^<i>S</i>-bis(triphenylphosphine-3κ<i>P</i>)-2-iron-3-silver-1-tungsten, [Et~4~N][Br~2~FeS~2~WS~2~Ag(PPh~3~)~2~]","Acta Crystallographica Section C","1996","52","1","27","29","10.1107/S0108270195009723","","","0.71073","MoKα","","","0.044","","","0.053","","","","","1.44","1.44","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004405","9.019","0.002","9.986","0.001","11.599","0.002","65.32","0.01","71.77","0.01","71.57","0.01","880.5","0.3","300","2","300","2","","","","","","","","5","P -1","-P 1","2","bis[aqua-3,3'-iminobispropylamine)copper(II)] pyromellitate octahydrate","mu-(1,2,4,5-benzenetetracarboxylato)bis[aqua(1,7-diamino-4-aza- heptane)copper(II)] octahydrate","","- C22 H56 Cu2 N6 O18 -","- C22 H56 Cu2 N6 O18 -","- C22 H56 Cu2 N6 O18 -","1","0.5","KH1050","Chen, W.; Tioh, N. H.; Zou, J.-Z.; Xu, Z.; You, X.-Z.","A Tetracarboxylatobenzene-Bridged Binuclear Copper(II) Complex","Acta Crystallographica Section C","1996","52","1","43","45","10.1107/S0108270195010444","","","0.71073","MoKα","","0.0366","0.0323","","0.0856","0.0836","","","","1.115","1.154","1.154","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004406","6.903","0.001","22.275","0.002","14.6622","0.0009","90","","95.722","0.011","90","","2243.3","0.4","150","1","150","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,3,4,6,7,8,9,11,12,13,14-dodecahydro-1,6,14-trioxo- benzo[b]benzo[4,5]furo[3,2-d]oxoninium hydroxide","","- C24 H31.5 O5.43 -","- C24 H31.41 O5.41 -","- C96 H125.64 O21.64 -","4","1","LI1137","Barnes, J. C.","A Trimer from 5,5-Dimethylcyclohexan-1,3-dione Containing an O-Protonated Furan Ring","Acta Crystallographica Section C","1996","52","1","262","264","10.1107/S0108270195009279","","","0.71069","MoKα","","0.0847","0.056","","0.157","0.1328","","","","0.85","1.006","1.006","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004407","7.336","0.001","7.401","0.002","10.408","0.004","90","","93.34","0.02","90","","564.1","0.3","296","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H10 Cd Cl4 N2 -","- C6 H10 Cd Cl4 N2 -","- C12 H20 Cd2 Cl8 N4 -","2","0.5","MU1132","Ye, Q.; Meng, Q.-J.; You, X.-Z.; Huang, X.-Y.","The Intercalation Compound 1,4-Benzenediammonium Tetrachlorocadmate(II)","Acta Crystallographica Section C","1996","52","1","33","35","10.1107/S0108270195007797","","","0.71069","MoKα","","","0.055","","","0.064","","","","","2.45","2.45","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004408","9.461","0.004","12.298","0.006","12.603","0.006","90","","98.6","0.03","90","","1449.9","1.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(phosphonomethyl)acrylic acid hemihydrate","2-(phosphonomethyl)acrylic acid hemihydrate","","- C4 H8 O0.5 P -","- C4 H8 O5.5 P -","- C32 H64 O44 P8 -","8","2","MU1185","Weichsel, A.; Lis, T.","2-(Phosphonomethyl)acrylic Acid Hemihydrate and Ammonium 2-(Phosphonomethyl)acrylate: Analogues of Phosphoenolpyruvate (PEP)","Acta Crystallographica Section C","1996","52","1","97","101","10.1107/S0108270195009802","","","0.71069","MoKα","","0.0386","0.0377","","0.1053","0.1041","","","","1.087","1.09","1.09","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004409","6.324","0.003","7.71","0.003","16.444","0.006","90","","91.52","0.03","90","","801.5","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ammonium 2-(phosphonomethyl)acrylate","ammonium 2-(phosphonomethyl)acrylate","","- C4 H10 N O5 P -","- C4 H10 N O5 P -","- C16 H40 N4 O20 P4 -","4","1","MU1185","Weichsel, A.; Lis, T.","2-(Phosphonomethyl)acrylic Acid Hemihydrate and Ammonium 2-(Phosphonomethyl)acrylate: Analogues of Phosphoenolpyruvate (PEP)","Acta Crystallographica Section C","1996","52","1","97","101","10.1107/S0108270195009802","","","0.71069","MoKα","","0.0696","0.038","","0.1186","0.1017","","","","1.051","1.092","1.092","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004410","15.275","0.002","9.588","0.004","17.717","0.002","90","","106.78","0.01","90","","2484.3","1.1","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N Ni S8 -","- C20 H22 N Ni S8 -","- C80 H88 N4 Ni4 S32 -","4","1","MU1192","Zuo, J.-L.; Xiong, R.-G.; You, X.-Z.; Huang, X.-Y.","<i>N</i>-Methylquinolinium Bis(6,7-dihydro-5<i>H</i>-1,4-dithiepine-2,3-dithiolato)nickelate(III)","Acta Crystallographica Section C","1996","52","1","46","48","10.1107/S0108270195009838","","","0.71069","MoKα","","","0.056","","","0.068","","","","","1.78","1.78","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004411","20.96","0.013","13.809","0.013","14.503","0.008","90","","94.151","0.014","90","","4187","5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","mer-Bis[2,6-bis(1-phenyliminoethylpyridine)-N,N',N""]copper(II) diperchlorate","","- C42 H38 Cl2 Cu N6 O8 -","- C42 H38 Cl2 Cu N6 O8 -","- C168 H152 Cl8 Cu4 N24 O32 -","4","1","MU1197","Blake, A. J.; Lavery, A. J.; Schröder, M.","<i>mer</i>-Bis[2,6-bis(1-phenyliminoethyl)pyridine-<i>N</i>,<i>N</i>',<i>N</i>'']copper(II) Diperchlorate","Acta Crystallographica Section C","1996","52","1","37","39","10.1107/S0108270195009851","","","0.71073","MoKα","","0.219","0.0943","","0.2258","0.171","","","","0.894","1.288","1.288","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2004412","4.5834","0.0005","11.6598","0.0008","12.0208","0.0009","65.239","0.006","84.621","0.008","89.296","0.008","580.52","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","S-methyl β-N-(4-methoxyphenyl)methylendithiocarbazate","","- C10 H12 N2 O S2 -","- C10 H12 N2 O S2 -","- C20 H24 N4 O2 S4 -","2","1","MU1198","Fun, H.-K.; Yip, B.-C.; Tian, Y.-P.; Duan, C.-Y.; Lu, Z.-L.; You, X.-Z.","Methyl 3-(4-Methoxyphenylmethylene)dithiocarbazate","Acta Crystallographica Section C","1996","52","1","87","89","10.1107/S0108270195009899","","","0.71073","MoKα","","0.0494","0.0326","","0.0869","0.0817","","","","0.925","1.037","1.037","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004413","10.888","0.001","9.381","0.001","26.597","0.003","90","","90","","90","","2716.6","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-dibenzylthiourea.","","- C15 H16 N2 S -","- C15 H16 N2 S -","- C120 H128 N16 S8 -","8","1","MU1200","Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Meerarani, D.; Ramadas, K.; Fun, H.-K.","1,3-Dibenzylthiourea and 1,3-Dicyclohexylthiourea","Acta Crystallographica Section C","1996","52","1","139","142","10.1107/S0108270195009875","","","0.71073","MoKα","","0.0537","0.0395","","0.114","0.1064","","","","1.032","1.117","1.117","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004414","12.611","0.002","11.224","0.001","10.435","0.001","90","","110.7","0.01","90","","1381.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-dicyclohexyl thiourea.","","- C13 H24 N2 S -","- C13 H24 N2 S -","- C52 H96 N8 S4 -","4","1","MU1200","Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Meerarani, D.; Ramadas, K.; Fun, H.-K.","1,3-Dibenzylthiourea and 1,3-Dicyclohexylthiourea","Acta Crystallographica Section C","1996","52","1","139","142","10.1107/S0108270195009875","","","0.71073","MoKα","","0.0613","0.0367","","0.0919","0.0853","","","","0.897","1.039","1.039","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004415","31.26","0.03","7.5","0.011","15.79","0.014","90","","99.78","0.07","90","","3648","7","150","0.2","150","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(4-n-heptylbenzoyloxy)benzoic acid","","- C21 H24 O4 -","- C21 H23 O4 -","- C168 H184 O32 -","8","2","MU1202","Blake, A. J.; Fallis, I. A.; Parsons, S.; Schröder, M.; Bruce, D. W.","4-(4-<i>n</i>-Heptylbenzoyloxy)benzoic Acid","Acta Crystallographica Section C","1996","52","1","194","197","10.1107/S0108270195009863","","","0.71073","MoKα","","0.2666","0.1078","","0.35","0.2345","","","","1.051","1.422","1.422","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2004416","9.812","0.009","5.038","0.003","7.778","0.007","90","","111.95","0.09","90","","356.6","0.6","80","2","80","2","","","","","","","","5","P 1 21 1","P 2yb","4","","disodium D-3-phosphoglycerate","","- C3 H5 Na2 O7 P -","- C3 H5 Na2 O7 P -","- C6 H10 Na4 O14 P2 -","2","1","MU1203","Lis, T.; Jerzykiewicz, L. B.","Disodium <small>D</small>-3-Phosphoglycerate (a Reinvestigation at 80 K) and Bis(cyclohexylammonium) <small>D</small>-3-Phosphoglycerate Dihydrate at 85 K","Acta Crystallographica Section C","1996","52","1","129","134","10.1107/S0108270195009905","","","0.71069","MoKα","","0.0235","0.0205","","0.0569","0.055","","","","1.077","1.067","1.067","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004417","12.427","0.005","6.556","0.003","13.085","0.005","90","","94.64","0.06","90","","1062.6","0.8","85","2","85","2","","","","","","","","5","P 1 21 1","P 2yb","4","","bis(cyclohexylammonium) D-3-phosphoglycerate dihydrate","","- C15 H37 N2 O9 P -","- C15 H37 N2 O9 P -","- C30 H74 N4 O18 P2 -","2","1","MU1203","Lis, T.; Jerzykiewicz, L. B.","Disodium <small>D</small>-3-Phosphoglycerate (a Reinvestigation at 80 K) and Bis(cyclohexylammonium) <small>D</small>-3-Phosphoglycerate Dihydrate at 85 K","Acta Crystallographica Section C","1996","52","1","129","134","10.1107/S0108270195009905","","","0.71069","MoKα","","0.0494","0.0295","","0.0764","0.0699","","","","","1.094","1.094","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004418","34.138","0.013","7.3857","0.0011","6.072","0.007","90","","123.04","0.03","90","","1283.4","1.6","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-Didecyloxybenzene","","- C26 H46 O2 -","- C26 H46 O2 -","- C52 H92 O4 -","2","0.5","MU1205","Kooijman, H.; Spek, A. L.; Keegstra, E. M. D.; Zwikker, J. W.; Jenneskens, L. W.","Attractive Edge‒Face Arene‒Arene Interactions in Combination with Close Packing of Alkoxy Chains for 1,4-Didecyloxybenzene","Acta Crystallographica Section C","1996","52","1","85","87","10.1107/S0108270195010766","","","1.54184","CuKα","","","0.0681","","0.136","0.136","","","","1.823","1.823","1.823","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004419","13.224","0.002","10.058","0.001","17.423","0.002","90","","90","","90","","2317.4","0.5","293","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H16 Cu N6 S2 -","- C26 H16 Cu N6 S2 -","- C104 H64 Cu4 N24 S8 -","4","0.5","MU1208","Parker, O. J.; Aubol, S. L.; Breneman, G. L.","<i>cis</i>-Diisothiocyanatobis(1,10-phenanthroline)copper(II), [Cu(NCS)~2~(C~12~H~8~N~2~)~2~]","Acta Crystallographica Section C","1996","52","1","39","41","10.1107/S0108270195009887","","","0.71073","MoKα","","","0.04","","","0.07","","","","","2.48","2.48","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004420","19.929","0.004","10.855","0.003","18.334","0.004","90","","117.28","0.03","90","","3525.1","1.7","293","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 Cl Co N5 O4 -","- C14 H19 Cl Co N5 O4 -","- C112 H152 Cl8 Co8 N40 O32 -","8","2","NA1144","Solans, X.; Font-Bardia, M.; López, C.; Alvarez, S.","Anhydrous <i>trans</i>-(Aniline)chlorobis(dimethylglyoximato)cobalt(III)","Acta Crystallographica Section C","1996","52","1","63","66","10.1107/S0108270195009644","","","0.71069","MoKα","","","0.041","","","0.095","","","","","0.936","0.936","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2004421","15.51","0.01","15.178","0.005","25.66","0.03","90","","106.9","0.1","90","","5780","9","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-(tris{μ-2,5-bis[2-(2'-pyridyl)- ethynyl]thiophene-N,N'-dinitratocobalt(II)})","","- C54 H30 Co3 N12 O18 S3 -","- C54 H30 Co3 N12 O18 S3 -","- C216 H120 Co12 N48 O72 S12 -","4","1","NA1163","Driessen, W. L.; Neenan, T. X.","<i>catena</i>-Poly[dinitratocobalt(II)-μ-2,5-bis{2-(2-pyridyl)ethynyl}thiophene-<i>N</i>:<i>N</i>'], [Co(NO~3~)~2~(C~18~H~10~N~2~S)]~3~","Acta Crystallographica Section C","1996","52","1","59","61","10.1107/S0108270195008535","","","0.71073","MoKα","","0.165","0.06","","0.064","0.056","","","","1.617","2.271","2.271","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004422","3.979","0.001","10.8","0.002","18.713","0.005","90","","90.71","0.03","90","","804.1","0.3","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","NA1176","Carugo, O.; Charalambous, J.; Raghvani, D. V.; Sardone, N.","5-Ethoxy-1,2-benzoquinone 2-Oxime","Acta Crystallographica Section C","1996","52","1","153","155","10.1107/S0108270195007141","","","1.54184","CuKα","","","0.066","","","0.057","","","","","0.981","0.981","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004423","7.524","0.002","14.819","0.003","11.763","0.002","90","","107.26","0.03","90","","1252.5","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 21-acetoxy-11β-hydroxy-1,4-pregnadiene-(22S)-16α,17α-orthoacetate","","- C26 H34 O8 -","- C26 H34 O8 -","- C52 H68 O16 -","2","1","NA1177","Pniewska, B.; Anulewicz, R.; Uszycka-Horawa, T.","(22<i>S</i>)-21-Acetoxy-11β-hydroxy-16α,17α-methylorthoacetoxypregna-1,4-diene-3,20-dione","Acta Crystallographica Section C","1996","52","1","212","215","10.1107/S0108270195009589","","","1.54178","CuKα","","0.0514","0.0475","","0.1355","0.132","","","","1.052","1.067","1.067","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004424","5.916","0.001","13.112","0.003","20.253","0.004","90","","90","","90","","1571","0.5","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Z)-N-[(2S)-2-(tert-butoxycarbonylamino)propylidene]benzylamine N-oxide","","- C15 H22 N2 O3 -","- C15 H22 N2 O3 -","- C60 H88 N8 O12 -","4","1","NA1197","Merino, P.; Merchan, F. L.; Tejero, T.; Lanaspa, A.","Structures of Chiral Nitrones. II. (<i>Z</i>)-<i>N</i>-[(2<i>S</i>)-2-(<i>tert</i>-Butoxycarbonylamino)propylidene]benzylamine <i>N</i>-Oxide","Acta Crystallographica Section C","1996","52","1","218","219","10.1107/S0108270195009358","","","0.71073","MoKα","","0.0524","0.0416","","0.1078","0.0999","","","","1.07","1.078","1.078","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004425","6.199","0.003","6.199","0.003","19.859","0.006","90","","90","","120","","660.9","0.5","293","","","","","","","","","","","3","P -6 c 2","P -6c 2","188","","","","- Dy O19 Ta7 -","- Dy0.1667 O14.8332 Ta6.1667 -","- Dy0.3334 O29.6664 Ta12.3334 -","2","0.166667","OH1087","Guo, G.-C.; Zhuang, J.-N.; Wang, Y.-G.; Chen, J.-T.; Zhuang, H.-H.; Huang, J.-S.; Zhang, Q.-E.","Dysprosium Tantalum Oxide, DyTa~7~O~19~","Acta Crystallographica Section C","1996","52","1","5","7","10.1107/S0108270195010353","","","0.71069","MoKα","","","0.0471","","","0.0548","","","","","1.23","1.23","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004426","6.798","0.004","13.675","0.008","9.722","0.007","90","","99.72","0.04","90","","890.8","1","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H19 N O -","- C22 H19 N O -","- C44 H38 N2 O2 -","2","1","PA1165","Mousser, A.; Badeche, S.; Merazig, H.; Benhaoua, H.; Ait Sidhoum, D.","<i>N</i>-Benzyl-3,4-diphenyl-2-azetidinone","Acta Crystallographica Section C","1996","52","1","201","203","10.1107/S0108270195004598","","","1.54184","CuKα","","","0.068","","","0.078","","","","","1.448","1.448","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004427","8.818","0.002","10.875","0.001","12.023","0.002","110.45","0.01","92.53","0.02","107.3","0.01","1017.2","0.3","293","","293","","","","","","","","","5","P 1","P 1","1","","7,10,19,22-Tetraoxa-4,13-diaza[16.8^4,13^](9,10) anthracenophane, (HClO~4~)~2~,C~6~H~5~CH~3~","","- C39 H54 Cl2 N2 O12 -","- C39 H52 Cl2 N2 O12 -","- C39 H52 Cl2 N2 O12 -","1","1","PA1177","Lahrahar, N.; Marsau, P.; Bouas-Laurent, H.; Desvergne, J.-P.; Fages, F.","Molecular, Crystal Structure and Fluorescence Emission Properties of Diprotonated 7,10,19,22-Tetraoxa-4,13-diaza[16.8^4,13^](9,10)anthracenophane (<i>A</i>~33~.2H^+^)","Acta Crystallographica Section C","1996","52","1","113","116","10.1107/S0108270195007979","","","1.54178","CuKα","","","0.06","","","0.048","","","","","1.47","1.47","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004428","23.093","0.009","25.688","0.01","6.05","0.002","90","","97.16","0.04","90","","3561","2","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1-{[4-(4-bromophényl)]-3-butène-2-one-1-yl}-2-{[3-(2,6,6-triméthyl-1- cyclohexène-1-yl)]-2-propène-1-one-1-yl}-3-[(4-bromophényl)-1-yl]- 1,2,3,4,5,6,7,8-octahydro-8,8-diméthyl-naphtalène","","- C40 H46 Br2 O2 -","- C40 H46 Br2 O2 -","- C160 H184 Br8 O8 -","4","1","PA1183","Ginderow, D.","3-(4-Bromophényl)-1-[4-(4-bromophényl)-3-butène-2-one-1-yl]-2-[3-(2,6,6-triméthyl-1-cyclohexène-1-yl)-2-propène-1-one-1-yl]-1,2,3,4,5,6,7,8-octahydro-8,8-diméthylnaphtalène","Acta Crystallographica Section C","1996","52","1","256","259","10.1107/S0108270195008985","","","1.5418","CuKα","","0.0704","0.0517","","0.1694","0.1452","","","","1.083","1.083","1.083","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004429","12.661","0.003","16.54","0.005","9.677","0.002","90","","101.57","0.02","90","","1985.3","0.9","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 N O -","- C24 H29 N O -","- C96 H116 N4 O4 -","4","1","PA1188","Nogue, D.; Paugam, R.; Wartski, L.; Nierlich, M.; Vigner, D.; Lance, M.","Two <i>cis</i> Ring-Fused <i>exo</i> <i>N</i>-Aryl Heterocycles: 1-Phenyl-2-(2,4,6-trimethylphenyl)decahydroquinolin-4-one and 1-(4-Trifluoromethylphenyl)-2-phenyldecahydroquinolin-4-one","Acta Crystallographica Section C","1996","52","1","207","210","10.1107/S0108270195009036","","","0.71073","MoKα","","","0.057","","","0.056","","","","","1.34","1.34","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004430","7.15","0.001","12.214","0.002","10.944","0.001","90","","101.2","0.01","90","","937.5","0.2","294","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 F3 N O -","- C22 H22 F3 N O -","- C44 H44 F6 N2 O2 -","2","1","PA1188","Nogue, D.; Paugam, R.; Wartski, L.; Nierlich, M.; Vigner, D.; Lance, M.","Two <i>cis</i> Ring-Fused <i>exo</i> <i>N</i>-Aryl Heterocycles: 1-Phenyl-2-(2,4,6-trimethylphenyl)decahydroquinolin-4-one and 1-(4-Trifluoromethylphenyl)-2-phenyldecahydroquinolin-4-one","Acta Crystallographica Section C","1996","52","1","207","210","10.1107/S0108270195009036","","","0.71073","MoKα","","","0.059","","","0.061","","","","","0.87","0.87","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004431","6.547","0.002","7.057","0.003","9.687","0.004","107.48","0.03","102.07","0.03","102.23","0.03","398.9","0.3","155","","","","","","","","","","","3","P -1","-P 1","2","","","","- C10 H6 O3 -","- C10 H6 O3 -","- C20 H12 O6 -","2","1","PT1002","Thomson, M. A.; Kar, M.; Anderson, O. P.; Lenz, T. G.; Vaughan, J. D.","2-Phenylmaleic Anhydride","Acta Crystallographica Section C","1996","52","1","168","169","10.1107/S0108270195009620","","","0.71073","MoKα","","","0.049","","","0.074","","","","","1.207","1.207","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004432","5.774","0.001","40.748","0.006","10.648","0.001","90","","99.053","0.009","90","","2474","0.6","297","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O3 -","- C14 H16 O3 -","- C112 H128 O24 -","8","2","PT1013","Lalancette, R. A.; Coté, M. L.; Thompson, H. W.","(±)-<i>trans</i>-2-Benzoylcyclohexanecarboxylic Acid. Structure and Hydrogen-Bonding Pattern of a γ-Keto Acid","Acta Crystallographica Section C","1996","52","1","244","246","10.1107/S0108270195010407","","","0.71073","MoKα","","","0.0531","","","0.063","","","","","1.56","1.56","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004433","20.48","0.004","10.952","0.002","12.931","0.003","90","","117.58","0.03","90","","2570.8","1.2","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H32 Br4 N6 O -","- C18 H32 Br4 N6 O -","- C72 H128 Br16 N24 O4 -","4","0.5","PT1017","Nieslanik, B.; Duesler, E. N.; Miao, L.; Jackels, S. C.; Paine, R. T.","Pyo~2~[18]diene-N~6~.4HBr.H~2~O","Acta Crystallographica Section C","1996","52","1","205","207","10.1107/S0108270195009632","","","0.71073","MoKα","","","0.0596","","","0.0582","","","","","0.99","0.99","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004434","9.375","0.005","20.676","0.005","8.866","0.005","90","","90","","90","","1718.6","1.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,2:3,4-Di-O-isopropylidene-6-O-methacryloyl-a-D-galactopyranose","","- C16 H24 O7 -","- C16 H24 O7 -","- C64 H96 O28 -","4","1","SX1002","Ojala, W. H.; Gleason, W. B.; Connelly, M. P. E.; Wallis, R. R.; Kremer, J. J.","Polymerizable Methacrylate Carbohydrate Derivatives: 1,2:3,4-Di-<i>O</i>-isopropylidene-6-<i>O</i>-methacryloyl-α-<small>D</small>-galactopyranose and 1,2:5,6-Di-<i>O</i>-isopropylidene-3-<i>O</i>-methacryloyl-α-<small>D</small>-glucofuranose","Acta Crystallographica Section C","1996","52","1","155","158","10.1107/S0108270195009991","","","1.54178","CuKα","","0.0868","0.0406","","0.1239","0.1032","","","","1.026","1.079","1.079","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004435","7.275","0.002","8.945","0.002","13.486","0.002","90","","97.148","0.015","90","","870.8","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1,2:5,6-di-O-isopropylidene-3-O-methacryloyl-a-D-glucofuranose","","- C16 H24 O7 -","- C16 H24 O7 -","- C32 H48 O14 -","2","1","SX1002","Ojala, W. H.; Gleason, W. B.; Connelly, M. P. E.; Wallis, R. R.; Kremer, J. J.","Polymerizable Methacrylate Carbohydrate Derivatives: 1,2:3,4-Di-<i>O</i>-isopropylidene-6-<i>O</i>-methacryloyl-α-<small>D</small>-galactopyranose and 1,2:5,6-Di-<i>O</i>-isopropylidene-3-<i>O</i>-methacryloyl-α-<small>D</small>-glucofuranose","Acta Crystallographica Section C","1996","52","1","155","158","10.1107/S0108270195009991","","","1.54178","CuKα","","0.0414","0.0364","","0.1043","0.0949","","","","1.071","1.022","1.022","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004436","7.121","0.004","35.583","0.007","5.238","0.004","90","","90","","90","","1327.2","1.3","296","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O5 -","- C13 H14 N O5 -","- C52 H56 N4 O20 -","4","1","SZ1005","Gomez de Anderez, D.; Gil, H.; Helliwell, M.; Mata Segreda, J.","<i>N</i>-(<i>p</i>-Tolyl)-amine-1-<small>D</small>-fructose from a Small Crystal","Acta Crystallographica Section C","1996","52","1","252","254","10.1107/S0108270195011255","","","1.54178","CuKα","","","0.091","","","0.095","","","","","2.44","2.44","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004437","9.851","0.001","10.563","0.002","12.933","0.003","90","","90","","90","","1345.8","0.4","292","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","SZ1016","De Simone, C. A.; Goulart, M. O. F.; Pereira, M. A.; Zukerman-Schpector, J.","Emmotin 2: (2<i>R</i>,3<i>S</i>)-2,6-Dihydroxy-3-(1-hydroxy-1-methylethyl)-8-methyl-1,2,3,4-tetrahydronaphthalene-5-carbaldehyde","Acta Crystallographica Section C","1996","52","1","117","118","10.1107/S0108270195010158","","","0.71073","MoKα","","","0.0452","","","0.0493","","","","","1.41","1.41","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004438","9.411","0.002","14.457","0.003","7.853","0.002","90","","105.95","0.03","90","","1027.3","0.4","297","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 N O5 -","- C8 H13 N O5 -","- C32 H52 N4 O20 -","4","1","SZ1021","Prayzner, P.; Ojadi, E. C. A.; Golen, J. A.; Williard, P. G.","<i>N</i>-Acetyliminodiacetate Dimethyl Ester","Acta Crystallographica Section C","1996","52","1","112","113","10.1107/S0108270195010225","","","0.71073","MoKα","","","0.0536","","","0.0603","","","","","1.51","1.51","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004439","9.83","0.002","9.239","0.002","19.654","0.002","90","0.01","96.11","0.01","90","0.01","1774.8","0.6","294","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","1-trityl-4-nitroimidazole","","- C22 H17 N3 O2 -","- C22 H17 N3 O2 -","- C88 H68 N12 O8 -","4","1","SZ1038","Skrzypczak-Jankun, E.; Kurumbail, R. G.","1-Trityl-4-nitroimidazole","Acta Crystallographica Section C","1996","52","1","189","191","10.1107/S0108270195010183","","","0.71073","MoKα","","0.065","0.039","","","0.054","","","","","1.8","1.8","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2004440","7.3972","0.0003","9.7969","0.0006","13.3883","0.0008","95.405","0.005","96.186","0.004","91.666","0.004","959.55","0.09","293","","293","","","","","","","","","3","P -1","-P 1","2","","Methyl(10E)-trans-bicyclo[12.3.0]heptadeca-7-ylidene-10-methyl- 10-ene-4,17-dione-1-carboxylate","","- C21 H30 O4 -","- C21 H30 O4 -","- C42 H60 O8 -","2","1","SZ1039","Drouin, M.; Berthiaume, G.; Deslongchamps, P.","14-Membered Macrocycles: Methyl <i>trans</i>-(10<i>E</i>)-5-Methyl-8-methylene-11,15-dioxobicyclo[12.3.0]heptadec-4-ene-14-carboxylate, (I), and Methyl <i>trans</i>-(2<i>E</i>,10<i>E</i>)-10-Methyl-7-methylene-4,17-dioxobicyclo[12.3.0]heptadeca-2,10-diene-1-carboxylate, (II)","Acta Crystallographica Section C","1996","52","1","107","110","10.1107/S0108270195010092","","","0.7093","MolybdenumKα~1~","","0.047","0.037","","0.062","0.06","","","","","1.68","1.68","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004441","9.5791","0.0013","9.883","0.003","12.2588","0.0012","73.344","0.017","68.083","0.017","64.29","0.018","959.2","0.4","293","","293","","","","","","","","","3","P -1","-P 1","2","","Methyl(2E,10E)-trans-bicyclo[12.3.0]heptadeca-7-ylidene-10-methyl-2,10-diene- 4,17-dione-1-carboxylate.","","- C21 H28 O4 -","- C21 H28 O4 -","- C42 H56 O8 -","2","1","SZ1039","Drouin, M.; Berthiaume, G.; Deslongchamps, P.","14-Membered Macrocycles: Methyl <i>trans</i>-(10<i>E</i>)-5-Methyl-8-methylene-11,15-dioxobicyclo[12.3.0]heptadec-4-ene-14-carboxylate, (I), and Methyl <i>trans</i>-(2<i>E</i>,10<i>E</i>)-10-Methyl-7-methylene-4,17-dioxobicyclo[12.3.0]heptadeca-2,10-diene-1-carboxylate, (II)","Acta Crystallographica Section C","1996","52","1","107","110","10.1107/S0108270195010092","","","0.7093","MolybdenumKα~1~","","0.091","0.073","","0.084","0.083","","","","","4.83","4.83","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004442","20.155","0.006","12.151","0.002","22.026","0.004","90","","99.81","0.02","90","","5315","2","298","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 Cl3 I4 N6 S18 Tl -","- C34 Cl4 I4 N6 S18 Tl -","- C136 Cl16 I16 N24 S72 Tl4 -","4","1","SZ1040","Geiser, U.; Schlueter, J. A.; Kini, A. M.; Achenbach, C. A.; Komosa, A. S.; Williams, J. M.","3,4-Pyrazino-3',4'-ethylenedithio-2,2',5,5'-tetrathiafulvalenium Tetraiodothallate(III) Solvate (3:1) with 1,1,2-Trichloroethane, (PEDT‒TTF)~3~TlI~4~.TCE","Acta Crystallographica Section C","1996","52","1","159","162","10.1107/S0108270195010079","","","0.7107","MoKα","","","0.07","","","0.051","","","","","1.77","1.77","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004443","11.996","0.003","13.048","0.003","25.017","0.008","98.93","0.02","90.46","0.02","114","0.02","3522.9","1.8","230","2","230","2","","","","","","","","8","P -1","-P 1","2","Holmium carbons apart carborane cluster","","","- C44 H100 B8 Cl4 Ho2 Li2 N6 Si4 -","- C44 H100 B8 Cl4 Ho2 Li2 N6 Si4 -","- C88 H200 B16 Cl8 Ho4 Li4 N12 Si8 -","2","1","SZ1042","Zhang, H.; Wang, Y.; Maguire, J. A.; Hosmane, N. S.","A Dinuclear Holmium(III) `Carbons Apart' Carborane Cluster, [C~34~H~92~B~8~Cl~4~Ho~2~Li~2~N~6~Si~4~].C~10~H~8~","Acta Crystallographica Section C","1996","52","1","8","11","10.1107/S0108270195010110","","","0.71073","MoKα","","0.0592","0.0419","","0.1254","0.1042","","","","1.044","1.066","1.066","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004444","9.89","0.005","9.258","0.004","8.878","0.005","108.26","0.04","78.48","0.04","67.38","0.04","663.3","0.7","293","","","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H14 O2 -","- C17 H14 O2 -","- C34 H28 O4 -","2","1","SZ1043","Selladurai, S.; Subramanian, K.; Lakshmi, S.; Chen, Y.-S.; Holt, E. J.; Narasinga Rao, S.","5-Methyl-3-(1-phenylethylidene)-2,3-dihydrobenzo[<i>b</i>]furan-2-one","Acta Crystallographica Section C","1996","52","1","94","95","10.1107/S0108270195010122","","","0.71073","MoKα","","","0.063","","","0.083","","","","","1.271","1.271","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004445","16.305","0.007","10.366","0.004","6.9","0.004","90","","90","","90","","1166.2","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(6SR,7RS,8SR)-7-methyl-8-phenyl-3-oxabicyclo[4.2.0]oct-1-en-8-ol","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","SZ1044","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.","Structural Aspects of the Nucleophilic Attack of Ketone Enolate on Dehydrodihydropyran","Acta Crystallographica Section C","1996","52","1","237","244","10.1107/S0108270195010134","","","1.54056","CuKα","","0.064","0.0429","","0.134","0.0975","","","","1.28","1.107","1.107","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004446","11.031","0.002","8.3","0.001","6.625","0.001","102.37","0.01","93.66","0.01","98.31","0.01","583.44","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(1SR,2RS,8RS)8-methylthio-3-oxatricyclo[6.4.0.0^2,7^]dodec-6-en-1-ol","","- C12 H18 O2 S -","- C12 H18 O2 S -","- C24 H36 O4 S2 -","2","1","SZ1044","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.","Structural Aspects of the Nucleophilic Attack of Ketone Enolate on Dehydrodihydropyran","Acta Crystallographica Section C","1996","52","1","237","244","10.1107/S0108270195010134","","","1.54178","CuKα","","0.0375","0.0322","","0.1007","0.0899","","","","1.027","1.091","1.091","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004447","18.992","0.007","10.595","0.003","11.875","0.005","90","","90","","90","","2389.5","1.5","293","2","293","2","","","","","","","","3","P c a b","-P 2bc 2ac","61","","(1RS,2RS,6SR,7SR,8RS)8-methyl-3-oxatricyclo[6.4.0.0^2,7^]dodeca-1,6,7-triol","","- C12 H20 O4 -","- C12 H20 O4 -","- C96 H160 O32 -","8","1","SZ1044","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.","Structural Aspects of the Nucleophilic Attack of Ketone Enolate on Dehydrodihydropyran","Acta Crystallographica Section C","1996","52","1","237","244","10.1107/S0108270195010134","","","1.54178","CuKα","","0.1213","0.1071","","0.2212","0.21","","","","1.244","1.265","1.265","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004448","10.798","0.003","12.1","0.003","12.359","0.003","106.24","0.02","104.27","0.03","103.54","0.02","1420.6","0.7","294","","","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","2","SZ1046","Schaefer, W. P.; Henling, L. M.; McBay, H. C.; Abulū, J.","A Pinacol Precursor to a Chiral Spiro Compound","Acta Crystallographica Section C","1996","52","1","104","107","10.1107/S0108270195010213","","","0.71073","MoKα","","","","","","","","","","","1.38","1.38","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004449","6.982","0.001","8.106","0.006","8.389","0.001","106.75","0.04","108.51","0.04","97.3","0.03","418.4","0.4","133","2","133","2","","","","","","","","5","P -1","-P 1","2","3-Map","2-amino-3-methylpyridinium bromide monohydrate","","- C6 H11 Br N2 O -","- C6 H11 Br N2 O -","- C12 H22 Br2 N4 O2 -","2","1","TA1032","Coffey, T.; Robinson, W. T.; Turnbull, M. M.","2-Amino-3-methylpyridinium Bromide Monohydrate","Acta Crystallographica Section C","1996","52","1","248","250","10.1107/S0108270195011139","","","0.71073","MoKα","","0.0528","0.0428","","0.1279","0.1079","","","","0.998","1.013","1.013","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004450","6.042","0.002","13.688","0.003","10.904","0.003","90","0.02","99.13","0.03","90","0.02","890.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,4-dihydro-3-methyl-6-nitro-2H-1,3-benzoxazin-2-one","","- C9 H8 N2 O4 -","- C9 H8 N2 O4 -","- C36 H32 N8 O16 -","4","1","TA1035","Waters, J. M.; Kitson, T. M.","3,4-Dihydro-3-methyl-6-nitro-2<i>H</i>-1,3-benzoxazin-2-one and <i>p</i>-Nitrophenyl Dimethylcarbamate","Acta Crystallographica Section C","1996","52","1","101","104","10.1107/S0108270195010894","","","0.71073","MoKα","","0.1068","0.0421","","0.1683","0.1395","","","","1.08","1.227","1.227","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004451","11.207","0.002","12.195","0.001","7.3631","0.0009","90","0.01","90","0.01","90","0.01","1006.3","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","p-nitrophenyl dimethylcarbamate","","- C9 H10 N2 O4 -","- C9 H10 N2 O4 -","- C36 H40 N8 O16 -","4","1","TA1035","Waters, J. M.; Kitson, T. M.","3,4-Dihydro-3-methyl-6-nitro-2<i>H</i>-1,3-benzoxazin-2-one and <i>p</i>-Nitrophenyl Dimethylcarbamate","Acta Crystallographica Section C","1996","52","1","101","104","10.1107/S0108270195010894","","","0.71073","MoKα","","0.0865","0.0465","","0.165","0.1433","","","","1.106","1.24","1.24","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004452","22.939","0.001","6.574","0.002","16.481","0.002","90","","114.67","0.01","90","","2258.5","0.8","293","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C25 H26 O7 -","- C25 H26 O7 -","- C100 H104 O28 -","4","1","VJ1017","Sekar, K.; Parthasarathy, S.; Schenk, H.; Epe, B.; Mondon, A.","Tricoccin R2","Acta Crystallographica Section C","1996","52","1","92","94","10.1107/S0108270195007037","","","1.5418","CuKα","","","0.049","","","0.058","","","","","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004453","10.181","0.002","14.635","0.002","16.076","0.002","90","","90","","90","","2395.3","0.6","292","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 O5 -","- C27 H34 O5 -","- C108 H136 O20 -","4","1","VJ1018","Sekar, K.; Parthasarathy, S.; Schenk, H.; Mondon, A.; Epe, B.","Tricoccin S~43~","Acta Crystallographica Section C","1996","52","1","110","112","10.1107/S0108270195001533","","","1.5418","CuKα","","","0.064","","","0.078","","","","","1.442","1.442","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004454","9.968","0.002","11.207","0.004","13.394","0.001","100.86","0.01","104.42","0.02","101.63","0.01","1373.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Terbutaline hemisulfate","5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-1,3-benzenediol hemisulfate.","","- C12 H20 N O5 S0.5 -","- C12 H20 N O5 S0.5 -","- C48 H80 N4 O20 S2 -","4","2","VJ1027","Sengupta, R.; Dattagupta, J. K.","A β-Adrenergic Agonist: Protonated Terbutaline Hemisulfate","Acta Crystallographica Section C","1996","52","1","162","164","10.1107/S0108270195011395","","","1.54178","CuKα","","0.0868","0.0623","","0.2858","0.2326","","","","0.856","0.863","0.863","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004455","9.708","0.002","14.039","0.001","26.302","0.002","90","","90","","90","","3584.7","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Oxymetazoline hydrochloride monohydrate","3-[(4,5-dihydro-1H-imidazole-2-yl)methyl]-6-(1,1-dimethylethyl) -2,4-dimethylphenol Hydrochloride monohydrate.","","- C16 H27 Cl N2 O2 -","- C16 H27 Cl N2 O2 -","- C128 H216 Cl8 N16 O16 -","8","1","VJ1028","Sengupta, R.; Dattagupta, J. K.","An α-Adrenergic Agonist: Protonated Oxymetazoline Hydrochloride Monohydrate","Acta Crystallographica Section C","1996","52","1","164","166","10.1107/S0108270195011401","","","1.54178","CuKα","","0.0828","0.0793","","0.223","0.2193","","","","1.105","1.131","1.131","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004456","14.452","0.003","13.089","0.003","17.558","0.003","90","","96.01","0.03","90","","3303.1","1.2","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N4 O3 -","- C17 H18 N4 O3 -","- C136 H144 N32 O24 -","8","4","AB1224","Kelderman, E.; Verboom, W.; Engbersen, J. F. J.; Reinhoudt, D. N.; Harkema, S.","<i>trans</i>-(3a<i>R</i>)-1,2,3,3a-Tetrahydro-3a-(methoxymethyl)-5-methyl-7-nitropyrrolo[1,2-<i>a</i>]quinoline-4,4(5<i>H</i>)-dicarbonitrile: Four Independent Molecules in the Unit Cell","Acta Crystallographica Section C","1996","52","2","458","460","10.1107/S0108270195011863","","","0.71073","MoKα","","","0.052","","","0.061","","","","","2.14","2.14","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004457","10.22","0.001","10.22","","20.973","0.002","90","","90","","90","","2190.6","0.3","294.2","","294.2","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C10 H28 Cl2 N2 O14 Pt -","- C10 H28 Cl2 N2 O14 Pt -","- C40 H112 Cl8 N8 O56 Pt4 -","4","0.5","AB1271","Whalen, J. T.; Chang, S.-C.; Norman, R. E.","Dichloro(ethylenediaminetetraacetic acid-<i>N</i>,<i>N</i>')platinum(II)‒Water (1/6)","Acta Crystallographica Section C","1996","52","2","297","300","10.1107/S0108270195009243","","","0.7107","MoKα","","","0.0416","","","0.0527","","","","","1.989","1.989","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2004458","13.847","0.002","12.2","0.001","15.981","0.002","90","","105.72","0.01","90","","2598.7","0.6","298","2","298","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Mn(ω-nap)~2~ dipyridine adduct","bis(ω-nitroacetophenonato)Mn(II) cis-dipyridine adduct","","- C26 H22 Mn N4 O6 -","- C26 H22 Mn N4 O6 -","- C104 H88 Mn4 N16 O24 -","4","0.5","AB1273","Hicke, S.; Mueller, T. E.; Falvello, L. R.","<i>cis</i>-Dipyridine Complex of Bis(ω-nitroacetophenonato)manganese(II)","Acta Crystallographica Section C","1996","52","2","307","309","10.1107/S0108270195008304","","","0.71073","MoKα","","0.1301","0.0582","","0.1185","0.104","","","","1.054","1.202","1.202","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004459","6.795","0.005","6.929","0.005","7.457","0.004","91.96","0.05","102.13","0.05","118.82","0.06","297","0.4","300","","","","","","","","","","","5","P -1","-P 1","2","","","","- Cl4 H4 O4 Rb2 U -","- Cl4 H4 O4 Rb2 U -","- Cl4 H4 O4 Rb2 U -","1","0.5","AB1276","Anson, C. E.; Al-Jowder, O.; Jayasooriya, U. A.; Powell, A. K.","Dirubidium Tetrachlorodioxouranium(VI)‒Water (1:2)","Acta Crystallographica Section C","1996","52","2","279","281","10.1107/S0108270195011723","","","0.71069","MoKα","","","0.051","","","0.0507","","","","","2.79","2.79","","","","","has coordinates","189249","2020-10-21","18:00:00",""
"2004460","4.944","0.002","13.005","0.002","20.234","0.003","85.07","0.01","89.71","0.02","79.45","0.02","1274.2","0.6","122","2","122","2","","","","","","","","4","P -1","-P 1","2","N-acetyl-N,O-di(propylcarbamoyl)hydroxylamine","N-[(propylamino)carbonyl]-N-{[(propylamino)carbonyl]oxy}-acetamide.","","- C10 H19 N3 O4 -","- C10 H19 N3 O4 -","- C40 H76 N12 O16 -","4","2","AB1290","B. B. Nielsen; K. Frydenvang; I. K. Larsen","The Ribonucleotide Reductase R1 Inhibitor <i>N</i>-Acetyl-<i>N</i>,<i>O</i>-di(propylcarbamoyl)hydroxylamine, an Analogue of Caracemide","Acta Crystallographica Section C","1996","52","2","387","390","10.1107/S0108270195012236","","","0.71073","MoKα","","0.0826","0.0698","","0.1958","0.1755","","","","1.046","1.017","1.017","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004461","7.519","0.004","14.202","0.003","7.885","0.003","90","","109.26","0.04","90","","794.9","0.6","294","1","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-amino-4-methoxy-2-methylthiopyrimidine","","- C6 H9 N3 O S -","- C6 H9 N3 O S -","- C24 H36 N12 O4 S4 -","4","1","AB1323","Low, J. N.; Ferguson, G.; Godino, M. L.; Cobo, J.; Lopez, R.; Melguizo, M.; Nogueras, M.; Sanchez, A.","6-Amino-4-methoxy-2-methylthiopyrimidine","Acta Crystallographica Section C","1996","52","2","418","420","10.1107/S010827019501448X","","","0.7107","MolybdenumKα","","0.0872","0.0636","","0.1636","0.1533","","","","1.003","1.13","1.13","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004462","12.748","0.002","20.265","0.003","8.562","0.002","90","","90.38","0.01","90","","2211.8","0.7","293","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H48 N10 Na4 O31 P4 -","- C20 H48 N10 Na4 O31 P4 -","- C40 H96 N20 Na8 O62 P8 -","2","1","AS1187","Watanabe, D.; Ishikawa, M.; Yamasaki, M.; Ozaki, M.; Katayama, T.; Nakajima, H.","Tetrasodium <i>P</i>^1^,<i>P</i>^4^-Bis(5'-adenosyl)tetraphosphate Dodecahydrate","Acta Crystallographica Section C","1996","52","2","338","340","10.1107/S0108270195010419","","","1.54184","CuKα","","","0.036","","","0.054","","","","","1.28","1.28","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004463","7.679","0.002","5.891","0.001","14.8","0.003","90","","91.28","0.03","90","","669.3","0.2","298","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 -","- C18 H18 -","- C36 H36 -","2","0.5","AS1191","Lam, Y.-L.; Koh, L.-L.; Huang, H.-H.","1,1'-Diphenyl-1,1'-bicyclopropyl and 1,1'-Diphenyl-1,1'-bicyclobutyl","Acta Crystallographica Section C","1996","52","2","397","400","10.1107/S0108270195011929","","","0.71073","MoKα","","","0.0397","","","0.0473","","","","","1.24","1.24","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004464","11.2","0.01","7.627","0.007","17.56","0.01","90","","90","","90","","1500","2","298","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C20 H22 -","- C20 H22 -","- C80 H88 -","4","0.5","AS1191","Lam, Y.-L.; Koh, L.-L.; Huang, H.-H.","1,1'-Diphenyl-1,1'-bicyclopropyl and 1,1'-Diphenyl-1,1'-bicyclobutyl","Acta Crystallographica Section C","1996","52","2","397","400","10.1107/S0108270195011929","","","0.71073","MoKα","","","0.0354","","","0.0437","","","","","1.37","1.37","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004465","10.322","0.003","14.909","0.001","9.8059","0.0008","90","","109.48","0.01","90","","1422.7","0.4","293","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H19 N O2 -","- C19 H20 N O2 -","- C76 H80 N4 O8 -","4","1","AS1204","Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.","Coumarin 106, C~18~H~19~NO~2~","Acta Crystallographica Section C","1996","52","2","364","365","10.1107/S0108270195010845","","","1.54184","CuKα","","","0.051","","","0.066","","","","","2.85","2.85","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004466","7.686","0.003","7.242","0.001","9.924","0.001","90","","98.31","0.02","90","","546.6","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-bromo-5-(α-D-2-deoxyribofuranosyl)pyridine","","- C10 H12 Br N O3 -","- C10 H12 Br N O3 -","- C20 H24 Br2 N2 O6 -","2","1","AS1213","Neidle, S.; Capaldi, D. C.; Bernadette, J. V.; Reese, C. B.","The α-Pyridyl Nucleoside Analogue 2-Bromo-5-(2-deoxy-α-<small>D</small>-ribofuranosyl)pyridine","Acta Crystallographica Section C","1996","52","2","407","409","10.1107/S0108270195013060","","","0.7107","MoKα","","0.0446","0.0434","","0.1139","0.1132","","","","0.909","0.932","0.932","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004467","12.266","0.001","11.879","0.001","10.412","0.002","90","","93.76","0.01","90","","1513.8","0.3","297","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O4 -","- C19 H20 N O4 -","- C76 H80 N4 O16 -","4","1","AS1214","Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.","An Orange Form of Coumarin 314","Acta Crystallographica Section C","1996","52","2","395","397","10.1107/S010827019501239X","","","1.54184","CuKα","","","0.055","","","0.089","","","","","4.29","4.29","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004468","10.04","0.01","9.572","0.004","10.68","0.005","90","","98.16","0.06","90","","1016","1.2","296","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N3 S -","- C11 H11 N3 S -","- C44 H44 N12 S4 -","4","1","AS1216","Kingsford-Adaboh, R.; Kashino, S.; Sasaki, K.; Rouf, A. S. S.; Hirota, T.","5-Amino-8-methyl-1,2-dihydrothieno(and furo)[2,3-<i>h</i>][1,6]naphthyridines","Acta Crystallographica Section C","1996","52","2","372","375","10.1107/S0108270195013035","","","0.71073","MoKα","","","0.038","","","0.031","","","","","1.49","1.49","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004469","9.975","0.005","9.695","0.005","10.145","0.009","90","","97.92","0.06","90","","971.7","1.1","297","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C44 H44 N12 O4 -","4","1","AS1216","Kingsford-Adaboh, R.; Kashino, S.; Sasaki, K.; Rouf, A. S. S.; Hirota, T.","5-Amino-8-methyl-1,2-dihydrothieno(and furo)[2,3-<i>h</i>][1,6]naphthyridines","Acta Crystallographica Section C","1996","52","2","372","375","10.1107/S0108270195013035","","","0.71073","MoKα","","","0.038","","","0.036","","","","","1.87","1.87","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004470","10.631","0.002","10.84","0.002","11.08","0.002","90","","92.31","0.02","90","","1275.8","0.4","298","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 Ir N O S -","- C13 H12 Ir N O S -","- C52 H48 Ir4 N4 O4 S4 -","4","1","BK1135","Theron, M.; Purcell, W.; Basson, S. S.","(η^4^-Cycloocta-1,5-diene)(2-pyridinethiolato <i>N</i>-oxide-κ<i>O</i>,κ<i>S</i>)iridium(I)","Acta Crystallographica Section C","1996","52","2","336","338","10.1107/S0108270195008729","","","0.71073","MoKα","","","0.038","","","0.038","","","","","0.77","0.77","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004471","13.463","0.003","13.463","0.003","9.864","0.004","90","","90","","90","","1787.9","0.9","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","Chloro-(5,10,15,20-Tetraphenylporphinato)manganese(III)","","- C44 H28 Cl Mn N4 -","- C44 H28 Cl Mn N4 -","- C88 H56 Cl2 Mn2 N8 -","2","0.125","BK1136","Cheng, B.; Scheidt, W. R.","Chloro(5,10,15,20-tetraphenylporphyrinato)manganese(III) with 4/<i>m</i> Symmetry","Acta Crystallographica Section C","1996","52","2","361","363","10.1107/S0108270195009371","","","0.71073","MoKα","","0.0713","0.0546","","0.1466","0.1293","","","","1.101","1.084","1.084","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004472","13.59","0.002","5.003","0.002","17.627","0.002","90","","108.26","0.01","90","","1138.1","0.5","173","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 F N O3 -","- C14 H10 F N O3 -","- C56 H40 F4 N4 O12 -","4","1","BK1161","Ojala, W. H.; Clemons, J. E.; Ojala, C. R.","2-(2-Fluorobenzoylamino)benzoic Acid","Acta Crystallographica Section C","1996","52","2","484","485","10.1107/S0108270195010560","","","1.54178","CuKα","","","0.034","","","0.037","","","","","2.12","2.12","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004473","15.379","0.001","19.324","0.001","3.915","0.001","90","","90","","90","","1163.5","0.3","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-phenylquinoline-4-carboxylic acid","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","BK1182","Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.","2-Phenylquinoline-4-carboxylic Acid","Acta Crystallographica Section C","1996","52","2","409","411","10.1107/S0108270195013217","","","0.71073","MoKα","","","0.034","","","0.04","","","","","1.42","1.42","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004474","40.302","0.004","40.302","0.004","40.302","0.004","90","","90","","90","","65461","11","130","2","130","2","","","","","","","","7","F d -3 :2","-F 2uv 2vw 3","203","none","[{μu~3~-gold(triphenylphosphine)}tris{μu-bis(diphenylphosphino)methane}- triplatinum] hexafluorphosphate/tetrafluroborate (0.75:0.25)","","- C93 H81 Au B0.25 F5.5 P7.75 Pt3 -","- C93 H81 Au B0.25 F5.51 P7.75 Pt3 -","- C2976 H2592 Au32 B8 F176.32 P248 Pt96 -","32","0.333333","BM1016","Muir, K. W.; Manojlovic-Muir, L.; Fullard, J.","The PF~6~^{-^}/BF~4~^{-^} Mixed Salt of the Cluster Cation [Pt~3~(μ~3~-AuPPh~3~)(μ-dppm)~3~]^+^, dppm = Ph~2~PCH~2~PPh~2~","Acta Crystallographica Section C","1996","52","2","295","297","10.1107/S0108270195007852","","","0.71073","MoKα","","0","0.0499","","0","0.1256","","","","0","1.086","1.086","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004475","9.53","0.01","8.31","0.01","12.39","0.01","90","","90","","90","","981.2","1.8","286","","288","","","","","","","","","5","C m c 21","C 2c -2","36","","trimethylammonium trichlorostannate(IV)","","- C3 H10 Cl3 N Sn -","- C3 H10 Cl3 N Sn -","- C12 H40 Cl12 N4 Sn4 -","4","0.5","BM1018","Halfpenny, J.","Trimethylammonium Trichlorostannate(II)","Acta Crystallographica Section C","1996","52","2","340","342","10.1107/S0108270195009668","","","0.71073","MoKα","","","0.031","","","0.031","","","","","0.906","0.906","","","","","has coordinates","198514","2020-10-21","18:00:00",""
"2004476","10.55","0.02","12.26","0.02","9.76","0.02","113.1","0.1","99.1","0.2","99","0.2","1113","4","295","1","295","1","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 N4 O2.5 -","- C11 H11 N4 O2.5 -","- C44 H44 N16 O10 -","4","2","BM1021","Capparelli, M. V.; Charris, J. E.; Domínguez, J. N.","5-(<i>p</i>-Anisidino)-4-cyano-2,3-dihydro-3-pyrazolone Hemihydrate, C~11~H~10~N~4~O~2~.0.5H~2~O","Acta Crystallographica Section C","1996","52","2","447","449","10.1107/S0108270195009206","","","0.71069","MoKα","","","0.0388","","","0.0389","","","","","1.574","1.574","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004477","8.433","0.002","12.987","0.006","7.743","0.003","98.92","0.04","98.9","0.03","105.53","0.03","789.8","0.6","296","","296","","","","","","","","","3","P -1","-P 1","2","C1TET-TTF","bis(methylthio)ethylenedithiotetrathiafulvalene","","- C10 H10 S8 -","- C10 H10 S8 -","- C20 H20 S16 -","2","1","BM1022","Zhang, B.; Li, Y.-L.; Han, H.-X.; Yang, J.-K.; Zhu, D.-B.; Maruyama, Y.-S.","Bis(methylthio)ethylenedithiotetrathiafulvalene","Acta Crystallographica Section C","1996","52","2","400","403","10.1107/S0108270195012832","","","0.71069","MolybdenumKα","","","0.06","","","0.081","","","","","2.06","2.06","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004478","15.273","0.005","9.931","0.007","19.1975","0.0015","90","","97.933","0.012","90","","2884","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetraethylammonium Bis(isothiocyanato)triphenylstannate","","- C28 H35 N3 S2 Sn -","- C28 H35 N3 S2 Sn -","- C112 H140 N12 S8 Sn4 -","4","0.5","BM1025","Cox, P. J.; Wardell, J. L.","Tetraethylammonium Bis(isothiocyanato)triphenylstannate","Acta Crystallographica Section C","1996","52","2","317","319","10.1107/S0108270195009437","","","0.71069","MoKα","","0.0521","0.0466","","0.1109","0.1093","","","","1.032","1.081","1.081","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004479","10.269","0.004","19.958","0.003","15.066","0.003","90","","103.8","0.02","90","","2998.6","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N,N'-methylenedipyridinium cis-difluorotetrachloroosmate(IV)","","- C22 H24 Cl8 F4 N4 Os2 -","- C11 H12 Cl4 F2 N2 Os -","- C88 H96 Cl32 F16 N16 Os8 -","8","2","BM1027","Bruhn, C.; Preetz, W.","Dipyridiniomethane <i>cis</i>- and <i>trans</i>-Difluorotetrachloroosmate(IV), <i>cis</i>- and <i>trans</i>-[(C~5~H~5~N)~2~CH~2~][OsCl~4~F~2~]","Acta Crystallographica Section C","1996","52","2","321","325","10.1107/S0108270195010717","","","0.71069","MoKα","","0.0467","0.029","","0.0756","0.0642","","","","1.182","1.14","1.14","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004480","7.7562","0.0005","10.0127","0.0008","11.0057","0.0009","89.649","0.007","70.346","0.006","75.112","0.006","774.86","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","N,N'-methylenedipyridinium trans-difluorotetrachloroosmate(IV)","","- C11 H12 Cl4 F2 N2 Os -","- C11 H12 Cl4 F2 N2 Os -","- C22 H24 Cl8 F4 N4 Os2 -","2","1","BM1027","Bruhn, C.; Preetz, W.","Dipyridiniomethane <i>cis</i>- and <i>trans</i>-Difluorotetrachloroosmate(IV), <i>cis</i>- and <i>trans</i>-[(C~5~H~5~N)~2~CH~2~][OsCl~4~F~2~]","Acta Crystallographica Section C","1996","52","2","321","325","10.1107/S0108270195010717","","","0.71069","MoKα","","0.0231","0.0148","","0.0389","0.0343","","","","1.132","1.096","1.096","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004481","28.103","0.004","18.37","0.003","23.755","0.006","90","","123.58","0.01","90","","10217","4","293","1","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C63 H56 Cl3 O4.5 S -","- C63 H55 Cl3 O4.5 S -","- C504 H440 Cl24 O36 S8 -","8","1","BR1035","Parvez, M.","A 5,18:9,14-Di-<i>o</i>-benzeno-6,17:7,16:8,15-trimethanobenzo[1'',2'':3,4;4'',5'':3',4']dicyclobuta[1,2-<i>b</i>:1',2'-<i>b</i>']dianthracene Derivative","Acta Crystallographica Section C","1996","52","2","444","447","10.1107/S0108270195009607","","","0.71069","MoKα","","","0.098","","","0.112","","","","","3.42","3.42","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004482","7.9268","0.0004","7.9268","0.0004","9.1025","0.0005","90","","90","","90","","571.95","0.05","298","","","","","","","","","","Synthetic","3","P -4 21 c","P -4 2n","114","","","Hydroromarchite","- H4 O8 Sn6 -","- O8 Sn6 -","- O16 Sn12 -","2","0.25","BR1120","Abrahams, I.; Grimes, S. M.; Johnston, S. R.; Knowles, J. C.","Tin(II) Oxyhydroxide by X-ray Powder Diffraction","Acta Crystallographica Section C","1996","52","2","286","288","10.1107/S0108270195012625","","","1.54184","CuKα","","","0.0332","","","0.0436","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"2004483","9.004","0.001","9","0.001","12.963","0.002","85.25","0.01","85.55","0.01","82.45","0.01","1035.4","0.2","113","2","","","","","","","","","","3","P -1","-P 1","2","","","","- Cl10 Re6 Te4 -","- Cl10 Re6 Te4 -","- Cl20 Re12 Te8 -","2","1","BR1121","Mironov, Y. V.; Cody, J. A.; Ibers, J. A.","Hexachlorotetra-μ~3~-chloro-tetra-μ~3~-telluro-octohexarhenium(III)","Acta Crystallographica Section C","1996","52","2","281","283","10.1107/S0108270195013205","","","1.54056","CuKα~1~","","","0.0479","","","0.112","","","","","1.4","1.4","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004484","16.373","0.004","10.4066","0.0006","17.629","0.005","90","","90.101","0.014","90","","3003.8","1.1","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aquachlorotriphenyltin.3,4,7,8-tetramethyl-1,10-phenanthroline","","- C34 H33 Cl N2 O Sn -","- C34 H33 Cl N2 O Sn -","- C136 H132 Cl4 N8 O4 Sn4 -","4","1","CF1017","Ng, S. W.","A 1:1 Adduct of Aquachlorotriphenyltin with 3,4,7,8-Tetramethyl-1,10-phenanthroline","Acta Crystallographica Section C","1996","52","2","354","356","10.1107/S0108270195009498","","","0.71073","MoKα","","0.048","0.0319","","0.0814","0.073","","","","1.002","1.025","1.025","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004485","10.2784","0.0014","10.5411","0.0014","17.794","0.003","90","","101.332","0.011","90","","1890.3","0.5","294","1","294","1","","","","","","","","3","P 1 21 1","P 2yb","4","","Tris(4-methoxyphenyl)methanol","","- C22 H22 O4 -","- C22 H22 O4 -","- C88 H88 O16 -","4","2","CF1052","Ferguson, G.; Glidewell, C.; Patterson, I. L. J.","Tris(4-methoxyphenyl)methanol","Acta Crystallographica Section C","1996","52","2","420","423","10.1107/S0108270195013990","","","0.7107","MoKα","","0.0869","0.0407","","0.0979","0.0872","","","","0.927","1.141","1.141","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004486","7.7383","0.0017","15.098","0.002","22.515","0.005","90","","90","","90","","2630.5","0.9","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H45 Na O6 -","- C27 H46 Na O6 -","- C108 H184 Na4 O24 -","4","1","CR1178","Wahle, M. C.; Stowell, J. G.; Byrn, S. R.","Sodium 3α,7α,12α-Trihydroxy-5β-cholan-24-oate Ethanolate (Sodium Cholate Ethanolate)","Acta Crystallographica Section C","1996","52","2","325","328","10.1107/S0108270195009152","","","1.54184","CuKα","","","0.047","","","0.109","","","","","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004487","22.076","0.003","8.722","0.001","6.552","0.001","90","","90","","90","","1261.6","0.3","293","2","293","","","","","","","","","6","P c a 21","P 2c -2ac","29","C12 H7 Br Cl2 N2 O1","N-(4-bromophenyl)-5,6-dichloronicotinamide","","- C12 H7 Br Cl2 N2 O -","- C12 H7 Br Cl2 N2 O -","- C48 H28 Br4 Cl8 N8 O4 -","4","1","CR1196","Jethmalani, J. M.; Camp, A. G.; Soman, N. G.; Hawley, J. W.; Setliff, F. L.; Holt, E. M.","<i>N</i>-(4-Bromophenyl)-5,6-dichloronicotinamide and 6-Chloro-5-fluoro-<i>N</i>-(3-pyridyl)nicotinamide","Acta Crystallographica Section C","1996","52","2","438","441","10.1107/S0108270195012078","","","0.71073","MoKα","","0.157","0.049","","0.176","0.112","","","","0.731","0.951","0.951","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004488","7.995","0.002","12.483","0.002","11.32","0.002","90","","108.37","0.01","90","","1072.2","0.4","298","","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-(3-pyridyl)-6-chloro-5-fluoronicotinamide","","- C11 H7 Cl F N3 O -","- C11 H7 Cl F N3 O -","- C44 H28 Cl4 F4 N12 O4 -","4","1","CR1196","Jethmalani, J. M.; Camp, A. G.; Soman, N. G.; Hawley, J. W.; Setliff, F. L.; Holt, E. M.","<i>N</i>-(4-Bromophenyl)-5,6-dichloronicotinamide and 6-Chloro-5-fluoro-<i>N</i>-(3-pyridyl)nicotinamide","Acta Crystallographica Section C","1996","52","2","438","441","10.1107/S0108270195012078","","","0.71073","MoKα","","0.0512","0.0398","","0.0671","0.0588","","","","","1.57","1.57","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004489","8.052","0.002","9.627","0.003","10.017","0.003","72.38","0.02","73.2","0.02","88.54","0.02","706.8","0.4","301","","301","","","","","","","","","3","P -1","-P 1","2","","dimethyl 2,2,6,6-tetramethyl-4-oxa-3,5-dioxoheptanedioate","","- C12 H18 O7 -","- C12 H18 O7 -","- C24 H36 O14 -","2","1","CR1201","Graham, J. E.; Bunce, R. A.; Holt, E. M.","Dimethyl 2,2,6,6-Tetramethyl-3,5-dioxo-4-oxaheptanedioate","Acta Crystallographica Section C","1996","52","2","436","438","10.1107/S0108270195012066","","","0.71073","MoKα","","0.0579","0.0406","","0.0602","0.0516","","","","","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004490","23.593","0.001","7.0418","0.0004","14.8968","0.0006","90","","117.422","0.004","90","","2196.8","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(o-phénylènediammonium) cyclo-Tétraphosphate Dihydrate","","- C12 H24 N4 O14 P4 -","- C12 H24 N4 O14 P4 -","- C48 H96 N16 O56 P16 -","4","0.5","DU1114","Soumhi, E. H.; Jouini, T.","Bis(<i>o</i>-phénylènediammonium) <i>cyclo</i>-Tétraphosphate Dihydrate","Acta Crystallographica Section C","1996","52","2","432","433","10.1107/S010827019500309X","","","0.71069","MoKα","","0.0477","0.0404","","0.1072","0.1027","","","","1.134","1.171","1.171","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2004491","15.204","0.002","6.1593","0.0005","5.3998","0.0004","90","","105.401","0.009","90","","487.51","0.09","293","","293","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","potassium manganese(II) hydroxy-vanadate","","- H2 K2 Mn3 O10 V2 -","- H2 K2 Mn3 O10 V2 -","- H4 K4 Mn6 O20 V4 -","2","0.25","DU1128","Liao, J.-H.; Guyomard, D.; Piffard, Y.; Tournoux, M.","K~2~Mn~3~(OH)~2~(VO~4~)~2~, a New Two-Dimensional Potassium Manganese(II) Hydroxyvanadate","Acta Crystallographica Section C","1996","52","2","284","286","10.1107/S0108270195010559","","","0.71073","MoKα","","0.052","0.04","","0.048","0.046","","","","1.82","1.93","1.93","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004492","8.1678","0.0009","9.226","0.001","8.6395","0.0008","90","","109.678","0.008","90","","613.02","0.11","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","potassium manganese(II) polyvanadate","","- K2 Mn O12 V4 -","- K2 Mn O12 V4 -","- K4 Mn2 O24 V8 -","2","0.5","DU1131","Liao, J.-H.; Sigala, C.; Guyomard, D.; Piffard, Y.","K~2~Mn(VO~3~)~4~, a New Three-Dimensional Potassium Manganese(II) Polyvanadate","Acta Crystallographica Section C","1996","52","2","283","284","10.1107/S0108270195012509","","","0.71073","MoKα","","0.054","0.037","","0.039","0.034","","","","1.13","1.24","1.24","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004493","4.461","0.001","7.044","0.001","7.346","0.001","80.75","0.01","73.85","0.01","81.78","0.01","217.66","0.07","120","2","120","2","","","","","","","","2","P -1","-P 1","2","","Diphosphorus Tetraiodide","","- I4 P2 -","- I4 P2 -","- I4 P2 -","1","0.5","DU1134","Žák, Z.; Černík, M.","Diphosphorus Tetraiodide at 120K","Acta Crystallographica Section C","1996","52","2","290","291","10.1107/S0108270195012510","","","0.71073","MoKα","","0.0348","0.0316","","0.1045","0.0915","","","","1.212","1.234","1.234","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004494","14.13","0.003","13.071","0.006","14.831","0.003","90","","90.33","0.02","90","","2739.1","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Hexa(paraphénolammonium) cyclo-Hexaphosphate Octahydrate","","- C36 H64 N6 O32 P6 -","- C36 H64 N6 O32 P6 -","- C72 H128 N12 O64 P12 -","2","0.5","DU1139","Soumhi, E. H.; Jouini, T.","Hexa(<i>para</i>-phénolammonium) <i>cyclo</i>-Hexaphosphate Octahydrate","Acta Crystallographica Section C","1996","52","2","434","436","10.1107/S0108270195011528","","","0.71069","MoKα","","0.0593","0.0358","","0.1114","0.0808","","","","1.231","1.006","1.006","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004495","5.992","0.001","23.577","0.009","6.563","0.002","90","","104.35","0.02","90","","898.2","0.5","293","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 Au Cl N6 P2 -","- C12 H24 Au Cl2 N6 P2 -","- C24 H48 Au2 Cl4 N12 P4 -","2","0.5","FG1043","Assefa, Z.; Staples, R. J.; Fackler, Jnr, J. P.","Bis(1,3,5-triaza-7-phosphaadamantane-<i>P</i>)gold(I) Chloride","Acta Crystallographica Section C","1996","52","2","305","307","10.1107/S0108270195008183","","","0.71073","MoKα","","","0.0585","","","0.1103","","","","","1.48","1.48","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004496","8.027","0.001","12.368","0.001","12.017","0.001","90","","102.55","0.01","90","","1164.5","0.2","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 Cd N6 S2 -","- C16 H36 Cd N6 S2 -","- C32 H72 Cd2 N12 S4 -","2","0.5","FG1048","Pariya, C.; Chaudhuri, N. R.; Seth, S.; Das, A.","Bis(<i>N</i>^1^-isopropyl-2-methylpropane-1,2-diamine)diisothiocyanatocadmium(II)","Acta Crystallographica Section C","1996","52","2","358","360","10.1107/S0108270195008195","","","1.5418","CuKα","","","0.05","","","0.059","","","","","1.086","1.086","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004497","10.856","0.003","15.051","0.002","10.407","0.002","97.3","0.02","103.21","0.02","96.04","0.02","1626.1","0.6","220","","220","","","","","","","","","7","P -1","-P 1","2","(±)-cis-dichloro{(isopropylamino)([1,1'-binaphthyl]-2,2'-dioxy)-phosphane} (triethylphosphine)platinum (II)","","","- C30 H37 Cl4 N O2 P2 Pt -","- C30 H37 Cl4 N O2 P2 Pt -","- C60 H74 Cl8 N2 O4 P4 Pt2 -","2","1","FG1071","Parvez, M.; Babu, R. P. K.; Krishnamurthy, S. S.","(±)-<i>cis</i>-Dichloro[<i>P</i>-(isopropylamino)dinaphtho[2,1-<i>d</i>:1',2'-<i>f</i>][1,3,2]dioxaphosphepine](triethylphosphine)platinum(II) Dichloromethane Solvate","Acta Crystallographica Section C","1996","52","2","333","336","10.1107/S010827019500922X","","","0.71069","MoKα","","","0.039","","","0.037","","","","","1.47","1.47","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004498","10.332","0.002","7.69","0.003","15.406","0.002","90","","92.77","0.01","90","","1222.6","0.6","295","","","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","Tetraphenylphosphonium tri-iodide","","","- C24 H20 I3 P -","- C24 H20 I3 P -","- C48 H40 I6 P2 -","2","0.5","FG1087","Parvez, M.; Wang, M.; Boorman, P. M.","Tetraphenylphosphonium Triiodide","Acta Crystallographica Section C","1996","52","2","377","378","10.1107/S0108270195010456","","","0.71069","MoKα","","","0.023","","","0.022","","","","","1.4","1.4","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004499","9.506","0.001","4.725","0.001","19.166","0.008","90","","91.79","0.01","90","","860.4","0.4","296","2","296","","","","","","","","","5","P 1 21 1","P 2yb","4","iodoindomethacin","1-(4-iodobenzoyl)-5-methoxy-2-methylindole-3-acetic acid","","- C19 H16 I N O4 -","- C19 H16 I N O4 -","- C38 H32 I2 N2 O8 -","2","1","FG1089","Loll, P. J.; Garavito, R. M.; Carrell, C. J.; Carrell, H. L.","1-(4-Iodobenzoyl)-5-methoxy-2-methyl-3-indoleacetic Acid, an Iodinated Indomethacin Analog","Acta Crystallographica Section C","1996","52","2","455","457","10.1107/S0108270195010468","","","0.71073","MoKα","","0.0482","0.0335","","0.0813","0.0786","","","","1.003","1.11","1.11","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004500","6.855","0.002","7.606","0.002","13.587","0.003","75.01","0.02","87.88","0.02","70.56","0.02","644.4","0.3","295","1.5","","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H4 N2 S6 -","- C10 H4 N2 S6 -","- C20 H8 N4 S12 -","2","1","HU1079","Zhong, Z. J.; You, X.-Z.; Yu, K.","4,5-Dicyano-4',5'-ethylenedithiotetrathiafulvalene (CNET): a New Unsymmetrical TTF Derivative","Acta Crystallographica Section C","1996","52","2","449","451","10.1107/S0108270195009942","","","0.71073","MoKα","","","0.0367","","","0.035","","","","","1.433","1.433","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2004501","5.189","0.001","5.886","0.001","16.223","0.003","90","","91.06","0.03","90","","495.41","0.16","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-furancarboxylic acid","","- C5 H4 O3 -","- C5 H4 O3 -","- C20 H16 O12 -","4","1","JZ1035","Paluchowska, B.; Maurin, J. K.; Leciejewicz, J.","The Role of C—H···O Bonds in Stabilizing 3-Furancarboxylic Acid and its Complexes with Calcium and Strontium","Acta Crystallographica Section C","1996","52","2","342","347","10.1107/S0108270195003246","","","1.54178","CuKα","","0.0342","0.0342","","0.092","0.092","","","","1.118","1.118","1.118","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004502","7.108","0.001","29.295","0.006","6.565","0.001","90","","91.88","0.03","90","","1366.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","catena-(Triaqua-(3-furancarboxylato)calcium 3-furancarboxylate)","","- C10 H12 Ca O9 -","- C10 H12 Ca O9 -","- C40 H48 Ca4 O36 -","4","1","JZ1035","Paluchowska, B.; Maurin, J. K.; Leciejewicz, J.","The Role of C—H···O Bonds in Stabilizing 3-Furancarboxylic Acid and its Complexes with Calcium and Strontium","Acta Crystallographica Section C","1996","52","2","342","347","10.1107/S0108270195003246","","","1.54178","CuKα","","0.0458","0.0454","","0.1316","0.1243","","","","1.063","1.023","1.023","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004503","7.286","0.0001","28.853","0.006","6.797","0.0001","90","","91.82","0.03","90","","1428.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","catena-(Triaqua-(3-furancarboxylato)strontium 3-furancarboxylate)","","- C10 H12 O9 Sr -","- C10 H12 O10 Sr -","- C40 H48 O40 Sr4 -","4","1","JZ1035","Paluchowska, B.; Maurin, J. K.; Leciejewicz, J.","The Role of C—H···O Bonds in Stabilizing 3-Furancarboxylic Acid and its Complexes with Calcium and Strontium","Acta Crystallographica Section C","1996","52","2","342","347","10.1107/S0108270195003246","","","1.54178","CuKα","","0.0559","0.0544","","0.1416","0.1366","","","","0.992","0.994","0.994","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004504","21.604","0.008","8.788","0.004","22.082","0.01","90","","91.45","0.03","90","","4191","3","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(bismethanol)(2,3,7,8,12,13,17,18-octaethylporphyrinato)iron(III) perchlorate","","- C40 H60 Cl Fe N4 O8 -","- C40 H56 Cl Fe N4 O8 -","- C160 H224 Cl4 Fe4 N16 O32 -","4","0.5","JZ1038","Senge, M. O.","Bis(methanol-<i>O</i>)(2,3,7,8,12,13,17,18-octaethylporphyrinato-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')iron(III) Perchlorate Bis(methanol) Solvate, [Fe^III^(oep)(HOCH~3~)~2~](ClO~4~).2CH~3~OH","Acta Crystallographica Section C","1996","52","2","302","305","10.1107/S0108270195006068","","","0.71073","MoKα","","0.1118","0.0672","","0.1798","0.1501","","","","1.035","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004505","18.262","0.004","12.956","0.007","26.52","0.02","90","","90.4","0.03","90","","6275","6","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C10 H6 Ca O6 -","- C10 H6 Ca O6 -","- C240 H144 Ca24 O144 -","24","6","JZ1058","Paluchowska, B.; Maurin, J. K.; Leciejewicz, J.","Carboxylate and Furan-Ring Oxygen Bonded to Calcium in Polymeric Calcium Furoate","Acta Crystallographica Section C","1996","52","2","347","351","10.1107/S0108270195009553","","","1.54183","CuKα","","0.2021","0.0548","","0.1483","0.1156","","","","0.93","1.175","1.175","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004506","13.113","0.003","13.315","0.003","7.405","0.002","90","","90","","91.39","0.03","1292.5","0.5","299","2","299","2","","","","","","","","5","P 1 1 2/n","-P 2ab","13","","Tetraphenylphosphonium-pentachlorostannat","","- C24 H20 Cl5 P Sn -","- C24 H20 Cl5 P Sn -","- C48 H40 Cl10 P2 Sn2 -","2","0.5","JZ1063","Müller, U.; Siekmann, J. Frenzen","Tetraphenylphosphonium Pentachlorostannat, PPh~4~[SnCl~5~], und Tetraphenylphosphonium Pentachlorostannat Monohydrat, PPh~4~[SnCl~5~.H~2~O]","Acta Crystallographica Section C","1996","52","2","330","333","10.1107/S0108270195011073","","","0.71073","MoKα","","0.0753","0.0496","","0.1905","0.1437","","","","0.141","0.123","0.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004507","13.173","0.001","13.173","0.001","7.59","0.001","90","","90","","90","","1317.1","0.2","299","2","299","2","","","","","","","","6","P 4/n","-P 4a","","","Tetraphenylphosphonium-pentachlorostannat-monohydrat","","- C24 H22 Cl5 O P Sn -","- C24 H22 Cl5 O P Sn -","- C48 H44 Cl10 O2 P2 Sn2 -","2","","JZ1063","Müller, U.; Siekmann, J. Frenzen","Tetraphenylphosphonium Pentachlorostannat, PPh~4~[SnCl~5~], und Tetraphenylphosphonium Pentachlorostannat Monohydrat, PPh~4~[SnCl~5~.H~2~O]","Acta Crystallographica Section C","1996","52","2","330","333","10.1107/S0108270195011073","","","0.71073","MoKα","","0.0928","0.0405","","0.1504","0.1201","","","","0.993","0.98","0.98","","","","","has coordinates","194546","2020-10-21","18:00:00",""
"2004508","9.502","0.002","11.252","0.002","11.602","0.002","102.98","0.02","113.68","0.02","106.92","0.02","1000.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","trans-dichlorobis(tris(pentafluorophenyl)phosphane)palladium(II)","","- C36 Cl2 F30 P2 Pd -","- C36 Cl2 F30 P2 Pd -","- C36 Cl2 F30 P2 Pd -","1","0.5","JZ1069","Bertsch-Frank, B.; Frank, W.","<i>trans</i>-Dichlorobis[tris(pentafluorophenyl)phosphane]palladium(II)","Acta Crystallographica Section C","1996","52","2","328","330","10.1107/S0108270195011061","","","0.71069","MoKα","","0.0961","0.0516","","0.0727","0.0656","","","","1.239","1.402","1.402","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004509","8.708","0.002","9.047","0.002","12.961","0.003","72.4","0.03","84.61","0.03","77.36","0.03","949.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Mo O7 W -","- C18 H16 Mo O7 W -","- C36 H32 Mo2 O14 W2 -","2","1","JZ1070","Frank, W.; Kreiter, C. G.; Reiß, G. J.","Hexacarbonyl(η^5:1^-2-cyclopentadienediylethyl)(μ-η^1:3^-1-ethoxy-2-propenylidene)molybdenumtungsten","Acta Crystallographica Section C","1996","52","2","356","358","10.1107/S0108270195009577","","","0.71069","MoKα","","0.0322","0.024","","0.0495","0.0483","","","","1.625","1.678","1.678","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004510","10.134","0.001","18.154","0.001","8.518","0.001","90","","103.44","0.01","90","","1524.2","0.3","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C68 H92 N4 O8 -","4","1","JZ1075","Pietz, S.; Haufe, G.; Fröhlich, R.; Grehl, M.","<i>syn</i>-1,5-Dimethylbicyclo[3.2.1]oct-8-yl <i>N</i>-Phenylcarbamate","Acta Crystallographica Section C","1996","52","2","469","470","10.1107/S0108270195011796","","","1.54178","CuKα","","0.045","0.038","","0.103","0.096","","","","","1.004","1.004","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004511","11.314","0.0006","10.872","0.001","14.74","0.002","90","0.009","90.369","0.007","90","0.006","1813.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-Methylenedipyridinium 1-Iodo-nonahydro-closo-decaborate","","- C11 H21 B10 I N2 -","- C11 H21 B10 I N2 -","- C44 H84 B40 I4 N8 -","4","1","JZ1085","Nachtigal, C.; Preetz, W.","Dipyridiniomethane 1-Iodo-<i>closo</i>-decaborate, [(C~5~H~5~N)~2~CH~2~][1-IB~10~H~9~]","Acta Crystallographica Section C","1996","52","2","453","455","10.1107/S0108270195012340","","","0.71069","MoKα","","0.0805","0.035","","0.0992","0.0736","","","","1.189","1.084","1.084","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004512","8.815","0.002","10.154","0.002","17.277","0.004","76.49","0.02","87.98","0.02","74.55","0.02","1448.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(dimethylglyoximato-N,N')(triphenylphosphine)(isopropyl)rhodium(III)","","- C29 H35 N4 O4 P Rh -","- C29 H29 N4 O4 P Rh -","- C58 H58 N8 O8 P2 Rh2 -","2","1","KA1124","Dunaj-Jurčo, M.; Mikloš, D.; Potočňák, I.; Ludwig, M.; Steinborn, D.","Bis(dimethylglyoximato-<i>N</i>,<i>N</i>')(isopropyl)(triphenylphosphine)rhodium(III)","Acta Crystallographica Section C","1996","52","2","315","317","10.1107/S0108270195007475","","","0.71069","MoKα","","0.0582","0.0469","","0.1322","0.1256","","","","1.023","1.073","1.073","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004513","9.463","0.005","42.025","0.004","9.089","0.004","90","","90","","90","","3615","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O7 -","- C17 H23 N O7 -","- C136 H184 N8 O56 -","8","2","KA1127","Böcskei, Z.; Keserü, G. M.; Menyhárd, D.; Huszthy, P.; Bradshaw, J. S.; Izatt, R. M.","Conformational Analysis of (<i>S</i>,<i>S</i>)-Dimethyldiketopyridino-18-crown-6","Acta Crystallographica Section C","1996","52","2","463","466","10.1107/S0108270195011346","","","1.5418","CuKα","","0.1589","0.0574","","0.3983","0.1682","","","","1.155","1.282","1.282","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004514","27.7","0.003","7.63","0.004","12.382","0.001","90","","90","","90","","2616.9","1.4","293","2","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C120 H160 O16 -","8","2","KA1129","Lakshmi, S.; Subramanian, K.; Koellner, G.; Steiner, Th.; Rajagopalan, K.","7β-Hydroxy-7α-(3-propargyl)-3-methylspiro[5.5]undec-2-en-1-one","Acta Crystallographica Section C","1996","52","2","405","407","10.1107/S0108270195011334","","","1.54184","CuKα","","","0.047","","","0.1182","","","","","1.126","1.126","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004515","12.068","0.001","13.137","0.001","15.374","0.001","66.76","0.01","89.16","0.01","68.82","0.01","2064.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2,3,5,6-1H,4H-Tetrahydro-8-trifluoromethylquinolizino[9,9a,1-gh]coumarin","","- C16 H14 F3 N O2 -","- C16 H14 F3 N O2 -","- C96 H84 F18 N6 O12 -","6","3","KH1030","Yip, B.-C.; Moo, F.-M.; Lok, K.-S.; Fun, H.-K.; Sivakumar, K.","A Second Triclinic Polymorph of Coumarin 153","Acta Crystallographica Section C","1996","52","2","477","481","10.1107/S0108270195011668","","","0.71073","MoKα","","0.0688","0.0419","","0.1332","0.1224","","","","0.934","1.136","1.136","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004516","9.163","0.001","8.37","0.001","21.786","0.003","90","","96.95","0.02","90","","1658.6","0.4","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","KH1052","Ravikumar, K.; Mohan, K. C.; Roy, S.; Singh, A. K.","A Key Intermediate in the Synthesis of Pentamidine: 4,4'-[1,5-Pentanediylbis(oxy)]bisbenzonitrile","Acta Crystallographica Section C","1996","52","2","403","405","10.1107/S0108270195011966","","","0.71073","MoKα","","","0.043","","","0.049","","","","","0.93","0.93","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004517","12.681","0.007","7.261","0.004","16.654","0.009","90","","93.65","0.02","90","","1530.3","1.5","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-2-(1-indenyl)ethyl-toluenesulfonamide","","- C18 H19 N O2 S -","- C18 H19 N O2 S -","- C72 H76 N4 O8 S4 -","4","1","KH1057","Gainsford, G. J.; Lensink, C.","<i>N</i>-[2-(1-3<i>H</i>-Indenyl)ethyl]-<i>p</i>-toluenesulfonamide","Acta Crystallographica Section C","1996","52","2","472","474","10.1107/S0108270195013011","","","0.71073","MoKα","","0.0731","0.0454","","0.1053","0.0925","","","","1.044","1.083","1.083","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004518","36.71","0.04","5.754","0.007","11.22","0.02","90","","99.85","0.07","90","","2335","6","150","1","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H21 F3 O9 S -","- C22 H21 F3 O9 S -","- C88 H84 F12 O36 S4 -","4","1","LI1139","Barnes, J. C.; Brimacombe, J. S.; Kabir, A. K. M. S.","Methyl 3-<i>O</i>-Benzoyl-4,6-<i>O</i>-benzylidene-2-<i>O</i>-trifluoromethylsulfonyl-α-<small>D</small>-mannopyranoside","Acta Crystallographica Section C","1996","52","2","416","418","10.1107/S0108270195012339","","","0.71073","MoKα","","0.1675","0.053","","0.168","0.0875","","","","0.61","0.912","0.912","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004519","12.847","0.002","15.196","0.003","20.57","0.004","94.61","0.02","90.07","0.02","114.53","0.02","3638.8","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H60 Cr2 N2 O10 P4 -","- C82 H60 Cr2 N2 O10 P4 -","- C164 H120 Cr4 N4 O20 P8 -","2","1","MU1169","Lee, I.; Geib, S. J.; Cooper, N. J.","[PPN]~2~[Cr~2~(CO)~10~], a Salt of the Dimeric Cr^1{-^} Carbonyl Complex Without a Coordinating Counterion","Acta Crystallographica Section C","1996","52","2","292","294","10.1107/S0108270195001454","","","0.71073","MoKα","","0.0813","0.039","","0.2229","0.0783","","","","0.765","1.001","1.001","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004520","13.818","0.001","13.818","0.001","27.285","0.003","90","","90","","90","","5209.7","0.8","295","","","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C57 H38 Cl2 O12 Pb -","- C57 H36 Cl2 O12 Pb -","- C228 H144 Cl8 O48 Pb4 -","4","0.25","MU1180","Prout, K.; Vaughan-Lee, D.; Moloney, M. G.; Prottey, S. C.","Tetrakis(<i>o</i>-benzoylbenzoato-<i>O</i>,<i>O</i>')lead(IV) Dichloromethane Solvate","Acta Crystallographica Section C","1996","52","2","351","354","10.1107/S0108270195007785","","","0.71073","MoKα","","","0.0447","","","0.0464","","","","","1.21","1.21","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004521","7.92","0.002","12.929","0.003","12.177","0.002","90","","94.86","0.03","90","","1242.4","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","sodium hexanitroruthenate(II) monohydrate","sodium hexanitroruthenate(II) monohydrate","","- H2 N6 Na4 O13 Ru -","- H2 N6 Na4 O13 Ru -","- H8 N24 Na16 O52 Ru4 -","4","0.5","MU1193","Gromilov, S. A.; Alekseev, V. I.; Emelyanov, V. A.; Baidina, I. A.","Sodium Hexanitroruthenate(II) Monohydrate","Acta Crystallographica Section C","1996","52","2","288","290","10.1107/S0108270195012042","","","0.71069","MoKα","","0.0208","0.0179","","0.0437","0.0433","","","","0.897","0.96","0.96","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004522","8.42","0.002","14.796","0.002","19.504","0.0001","90","","96.22","0.01","90","","2415.5","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrabutylammonium Bis(1,3-dithiol-2-thione/selone-4,5-dithioate) Nickel (II)","","- C38 H72 N2 Ni S9.34 Se0.66 -","- C38 H72 N2 Ni S9.348 Se0.652 -","- C76 H144 N4 Ni2 S18.696 Se1.304 -","2","0.5","MU1199","Fun, H.-K.; Sivakumar, K.; Zuo, J.-L.; Yao, T.-M.; You, X.-Z.","A 2:1 Mixture of Tetrabutylammonium Bis(4,5-dimercapto-1,3-dithiole-2-thionato)nickelate(II) and its 2-Selenone Analogue","Acta Crystallographica Section C","1996","52","2","312","315","10.1107/S0108270195010754","","","0.71073","MoKα","","0.0448","0.0335","","0.0969","0.0921","","","","1.07","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004523","7.58","0.001","7.912","0.001","17.423","0.003","90","","90","","90","","1044.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Dimethyl-3-tolyl thiourea.","","- C10 H14 N2 S -","- C10 H14 N2 S -","- C40 H56 N8 S4 -","4","1","MU1206","Ramnathan, A.; Sivakumar, K.; Janarthanan, N.; Meerarani, D.; Ramadas, K.; Fun, H.-K.","Unsymmetrically Substituted Thioureas. 1,1-Dimethyl-3-<i>o</i>-tolylthiourea and 1,1-Diethyl-3-<i>o</i>-tolylthiourea","Acta Crystallographica Section C","1996","52","2","411","414","10.1107/S0108270195010778","","","0.71073","MoKα","","0.066","0.0402","","0.0919","0.0849","","","","0.887","1.016","1.016","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004524","8.436","0.001","8.488","0.001","17.419","0.003","90","","90","","90","","1247.3","0.3","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Diethyl-3-tolyl thiourea.","","- C12 H18 N2 S -","- C12 H18 N2 S -","- C48 H72 N8 S4 -","4","1","MU1206","Ramnathan, A.; Sivakumar, K.; Janarthanan, N.; Meerarani, D.; Ramadas, K.; Fun, H.-K.","Unsymmetrically Substituted Thioureas. 1,1-Dimethyl-3-<i>o</i>-tolylthiourea and 1,1-Diethyl-3-<i>o</i>-tolylthiourea","Acta Crystallographica Section C","1996","52","2","411","414","10.1107/S0108270195010778","","","0.71073","MoKα","","0.032","0.0291","","0.0792","0.0774","","","","1.048","1.068","1.068","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004525","20.66","0.002","7.706","0.001","29.217","0.004","90","","90","","90","","4651.5","1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","αββα-3,4-Dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)tetrahydrofuran","","- C24 H32 O7 -","- C24 H32 O7 -","- C192 H256 O56 -","8","1","MU1215","Fun, H.-K.; Sivakumar, K.; Yip, B.-C.; Othman, A. H.; Said, I. M.","αββα-3,4-Dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)tetrahydrofuran","Acta Crystallographica Section C","1996","52","2","414","416","10.1107/S0108270195012054","","","0.71073","MoKα","","0.0824","0.047","","0.2237","0.1343","","","","0.935","1.037","1.037","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004526","10.069","0.003","14.545","0.002","16.784","0.002","90","","90.59","0.02","90","","2457.9","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(diethylditiocarbamato)iodo-4-methoxyphenyltellurium(IV)","","- C17 H27 I N2 O S4 Te -","- C17 H27 I N2 O S4 Te -","- C68 H108 I4 N8 O4 S16 Te4 -","4","1","NA1148","Husebye, S.; Kudis, S.; Lindeman, S. V.","Bis(diethyldithiocarbamato)(iodo)(4-methoxyphenyl)tellurium(IV), <i>p</i>-MeOC~6~H~4~Te(Et~2~NCS~2~)~2~I, and its Isomorphous Partially Bromine-Replaced Analogue, <i>p</i>-MeOC~6~H~4~Te(Et~2~NCS~2~)~2~Br~0.41~I~0.59~","Acta Crystallographica Section C","1996","52","2","424","429","10.1107/S0108270195004902","","","0.71069","MoKα","","0.0498","0.0321","","0.0878","0.0836","","","","1.055","1.132","1.132","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004527","10.06","0.001","14.363","0.002","16.705","0.004","90","","90.63","0.01","90","","2413.6","0.7","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","(0.41Bromo/0.59Iodo)bis(diethyldithiocarbamato)-4-methoxyphenyltellurium(IV)","","- C17 H27 Br0.41 I0.59 N2 O S4 Te -","- C17 H27 Br0.41 I0.59 N2 O S4 Te -","- C68 H108 Br1.64 I2.36 N8 O4 S16 Te4 -","4","1","NA1148","Husebye, S.; Kudis, S.; Lindeman, S. V.","Bis(diethyldithiocarbamato)(iodo)(4-methoxyphenyl)tellurium(IV), <i>p</i>-MeOC~6~H~4~Te(Et~2~NCS~2~)~2~I, and its Isomorphous Partially Bromine-Replaced Analogue, <i>p</i>-MeOC~6~H~4~Te(Et~2~NCS~2~)~2~Br~0.41~I~0.59~","Acta Crystallographica Section C","1996","52","2","424","429","10.1107/S0108270195004902","","","0.71069","MoKα","","0.0824","0.0435","","0.1337","0.0973","","","","1.097","1.212","1.212","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004528","9.156","0.005","13.324","0.002","17.564","0.002","90","","90.96","0.03","90","","2142.4","1.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Bromobis(dimethyldithiocarbamato)-4-methoxyphenyltellurium(IV) dichloromethane hemisolvate","","- C13.45 H19.9 Br Cl0.9 N2 O S4 Te -","- C13.45 H19.9 Br Cl0.9 N2 O S4 Te -","- C53.8 H79.6 Br4 Cl3.6 N8 O4 S16 Te4 -","4","1","NA1149","Husebye, S.; Kudis, S.; Lindeman, S. V.","Bromobis(dimethyldithiocarbamato)(4-methoxyphenyl)tellurium(IV) Dichloromethane Hemisolvate, <i>p</i>-MeOC~6~H~4~Te(Me~2~NCS~2~)~2~Br.0.5CH~2~Cl~2~","Acta Crystallographica Section C","1996","52","2","429","432","10.1107/S0108270195004914","","","0.71069","MoKα","","0.0848","0.0368","","0.0958","0.0775","","","","1.144","1.329","1.329","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2004529","8.381","0.003","14.495","0.003","10.351","0.003","90","","105.35","0.02","90","","1212.6","0.6","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H20 N2 O2 -","- C12 H20 N2 O2 -","- C48 H80 N8 O8 -","4","0.5","PA1162","Dromzee, Y.; Chiarelli, R.; Gambarelli, S.; Rassat, A.","Dupeyredioxyl (1,3,5,7-Tetramethyl-2,6-diazaadamantane-<i>N</i>,<i>N</i>'-dioxyl)","Acta Crystallographica Section C","1996","52","2","474","477","10.1107/S0108270195008286","","","0.71069","MoKα","","","0.035","","","0.031","","","","","3.2","3.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004530","11.1558","0.0008","11.574","0.001","9.68","0.002","90","","90","","90","","1249.9","0.3","293","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H20 N2 O2 -","- C12 H20 N2 O4 -","- C48 H80 N8 O16 -","4","0.5","PA1162","Dromzee, Y.; Chiarelli, R.; Gambarelli, S.; Rassat, A.","Dupeyredioxyl (1,3,5,7-Tetramethyl-2,6-diazaadamantane-<i>N</i>,<i>N</i>'-dioxyl)","Acta Crystallographica Section C","1996","52","2","474","477","10.1107/S0108270195008286","","","0.71069","MoKα","","","0.04","","","0.034","","","","","2.6","2.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004531","8.467","0.001","5.526","0.001","35.792","0.007","90","","90.29","0.01","90","","1674.6","0.5","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","4-(1-methylheptyloxycarbonyl)phenyl 4-heptyloxytolane-4'-carboxylate","","- C37 H44 O5 -","- C37 H44 O5 -","- C74 H88 O10 -","2","1","PA1193","Zareba, I.; Allouchi, H.; Cotrait, M.; Destrade, C.; Nguyen, H. T.","A Chiral Mesogenic Compound","Acta Crystallographica Section C","1996","52","2","441","444","10.1107/S0108270195008584","","","1.54178","CopperKα","","","0.064","","","0.074","","","","","","","","","","","has coordinates","211413","2020-10-21","18:00:00",""
"2004532","11.6395","0.0009","5.9814","0.0006","13.6907","0.0009","90","","94.462","0.014","90","","950.26","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-1-Phenylethylaminium (S)-2-(6-methoxy-2-naphthyl)propionate","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C44 H50 N2 O6 -","2","1","PA1198","Dupont, L.; Pirotte, B.; De Tullio, P.; Delarge, J.","Absolute Configuration of (<i>R</i>)-1-Phenylethylammonium (<i>S</i>)-2-(6-Methoxy-2-naphthyl)propionate","Acta Crystallographica Section C","1996","52","2","393","395","10.1107/S0108270195011954","","","1.5418","CuKα","","0.0564","0.0376","","0.0946","0.0879","","","","0.944","1.056","1.056","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2004533","11.9739","0.0012","10.2088","0.0011","14.662","0.002","90","","113.836","0.007","90","","1639.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8-Chloro-5-(4-methylpiperazin-1-yl)-11H-pyrido[2,3-b][1,5]benzodiazepine","","- C17 H18 Cl N5 -","- C17 H18 Cl N5 -","- C68 H72 Cl4 N20 -","4","1","PA1200","Dupont, L.; Liégeois, J.-F.; Rogister, F.; Delarge, J.","8-Chloro-5-(4-methylpiperazin-1-yl)-11<i>H</i>-pyrido[2,3-<i>b</i>][1,5]benzodiazepine","Acta Crystallographica Section C","1996","52","2","391","393","10.1107/S0108270195011942","","","1.5418","CuKα","","0.0647","0.0425","","0.1313","0.1072","","","","0.965","1.101","1.101","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004534","14.542","0.002","16.565","0.0002","19.334","0.002","90","","90","","90","","4657.3","0.8","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C52 H50 O10 -","- C52 H50 O10 -","- C208 H200 O40 -","4","1","PT1015","Shalaby, M. A.; Fronczek, F. R.; Voll, R. J.; Watkins, S. F.; Younathan, E. S.","2,3,4,5-Tetra-<i>O</i>-acetyl-1,6-di-<i>O</i>-(triphenylmethyl)-<small>D</small>-mannitol","Acta Crystallographica Section C","1996","52","2","381","383","10.1107/S0108270195013618","","","1.54184","CuKα","","","0.034","","","0.046","","","","","2.273","2.273","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004535","12.438","0.006","4.726","0.003","16.703","0.006","90","","92.5","0.02","90","","980.9","0.9","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bromacetyl salicylic acid","2-bromoacetoxy-benzoic acid","","- C9 H7 Br O4 -","- C9 H7 Br O4 -","- C36 H28 Br4 O16 -","4","1","PT1028","Loll, P. J.; Garavito, R. M.; Carrell, C. J.; Carrell, H. L.","2-Bromoacetoxybenzoic Acid, a Brominated Aspirin Analog","Acta Crystallographica Section C","1996","52","2","375","377","10.1107/S0108270195010390","","","0.71073","MoKα","","0.057","0.0413","","0.1114","0.1047","","","","0.961","1.117","1.117","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004536","5.222","0.002","8.389","0.002","4.759","0.001","93.04","0.03","102.59","0.02","92.57","0.02","202.84","0.1","291","2","291","2","","","","","","","","4","P 1","P 1","1","","","","- C6 H12 N2 O4 -","- C6 H12 N2 O4 -","- C6 H12 N2 O4 -","1","1","SX1004","Swenson, D. C.; Habermann, S. M.; Murphy, K. P.","Cyclo(<small>L</small>-alanyl-<small>L</small>-seryl).H~2~O and Cyclo(glycyl-<small>L</small>-seryl)","Acta Crystallographica Section C","1996","52","2","383","387","10.1107/S0108270195012248","","","0.7107","MoKα","","0.1051","0.0463","","0.1346","0.1017","","","","1.168","1.151","1.151","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004537","4.896","0.002","6.55","0.003","9.737","0.004","90","","90.8","0.04","90","","312.2","0.2","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C5 H8 N2 O3 -","- C5 H8 N2 O3 -","- C10 H16 N4 O6 -","2","1","SX1004","Swenson, D. C.; Habermann, S. M.; Murphy, K. P.","Cyclo(<small>L</small>-alanyl-<small>L</small>-seryl).H~2~O and Cyclo(glycyl-<small>L</small>-seryl)","Acta Crystallographica Section C","1996","52","2","383","387","10.1107/S0108270195012248","","","0.7107","MoKα","","0.0462","0.03","","0.0877","0.0798","","","","1.093","1.074","1.074","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004538","8.678","0.007","16.19","0.01","11.53","0.01","90","","99","0.01","90","","1600","2","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Isoxazolidines","trans-phenyl(2-phenyl-1,6-dioxa-2-azaspiro[4.4]non-3-yl)methanone","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C76 H76 N4 O12 -","4","1","SX1007","Niwayama, S.; You, Y.; Houk, K. N.; Khan, S. I.","Two Isoxazolidines","Acta Crystallographica Section C","1996","52","2","486","489","10.1107/S0108270195013692","","","1.5418","CuKα","","0.163","0.046","","0.091","0.051","","","","1.71","1.457","1.457","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2004539","10.181","0.004","28.9","0.01","10.071","0.002","90","","90","","90","","2963.2","1.7","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Isoxazolidines","(3α,3aα,6aα)-(hexahydro-2-phenylfuro[3,2-d]isoxazol-3-yl)phenylmethanone","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C144 H136 N8 O24 -","8","1","SX1007","Niwayama, S.; You, Y.; Houk, K. N.; Khan, S. I.","Two Isoxazolidines","Acta Crystallographica Section C","1996","52","2","486","489","10.1107/S0108270195013692","","","1.5418","CuKα","","0.162","0.048","","0.111","0.059","","","","1.779","1.337","1.337","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2004540","13.66","0.003","8.94","0.002","23.207","0.007","90","","100.14","0.02","90","","2789.8","1.2","298","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H47 Cl Ir N O P2 -","- C23 H46 Cl Ir N O P2 -","- C92 H184 Cl4 Ir4 N4 O4 P8 -","4","1","SZ1010","Grotjahn, D. B.; Lo, H. C.; Groy, T. L.","Chlorohydrido[2(1<i>H</i>)-pyridonato-<i>N</i>,<i>O</i>]bis[tris(1-methylethyl)phosphine]iridium(III)","Acta Crystallographica Section C","1996","52","2","300","302","10.1107/S0108270195003507","","","0.71073","MoKα","","","0.0356","","","0.0472","","","","","0.83","0.83","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004541","15.899","0.001","12.272","0.002","10.618","0.001","90","","90","","90","","2071.7","0.4","293","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H29 N O2 -","- C24 H34 N O2 -","- C96 H136 N4 O8 -","4","0.5","SZ1019","Sivaraman, J.; Subramanian, K.; Velmurugan, D.; Subramanian, E.; Shanmugasundram, P. S.","3,3,6,6-Tetramethyl-10-(4-methylphenyl)-3,4,6,7,9,10-hexahydro-1,8(2<i>H</i>,5<i>H</i>)-acridinedione","Acta Crystallographica Section C","1996","52","2","481","483","10.1107/S0108270195010171","","","1.54184","CuKα","","","0.056","","","0.062","","","","","1.38","1.38","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004542","12.165","0.009","12.598","0.011","8.962","0.005","90","","94.84","0.05","90","","1368.6","1.7","295","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cl I N O4 -","- C12 H9 Cl I N O4 -","- C48 H36 Cl4 I4 N4 O16 -","4","1","SZ1024","Kerrigan, J. E.; Powers, J. C.; VanDerveer, D.","4-Chloro-7-(iodoacetyl)amino-3-methoxyisocoumarin","Acta Crystallographica Section C","1996","52","2","451","453","10.1107/S0108270195010080","","","0.71073","MoKα","","","0.05","","","0.052","","","","","1.56","1.56","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004543","6.872","0.001","9.96","0.002","12.782","0.002","91.72","0.01","92.14","0.01","94.31","0.01","871.3","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","Chloro(ethylenediamine)[6-phenylimidazo[2,1-b]thiazole]platinum(II) nitrate","","- C13 H16 Cl N5 O3 Pt S -","- C13 H16 Cl N5 O3 Pt S -","- C26 H32 Cl2 N10 O6 Pt2 S2 -","2","1","SZ1032","Arvanitis, G. M.; Griffitts, A. E.; Baffic, S. P.; Ho, D. M.","Chloro(ethylenediamine)(6-phenylimidazo[2,1-<i>b</i>]thiazole-<i>N</i>^7^)platinum(II) Nitrate","Acta Crystallographica Section C","1996","52","2","319","321","10.1107/S0108270195010067","","","0.71073","MoKα","","0.0292","0.023","","0.0522","0.0502","","","","1.059","1.077","1.077","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004544","12.3228","0.0013","13.0782","0.0006","11.6694","0.0012","98.505","0.006","105.878","0.008","106.988","0.006","1676.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5-Methoxybenzemethanamine 2-[(2,3-di(p-tolyl)-5-methyl-1H-inden-1-ylidene) (p-tolyl)-methyl]-N,N,-dimethyl.","","- C42 H41 N O -","- C42 H41 N O -","- C84 H82 N2 O2 -","2","1","SZ1037","Fernández-G, J. M.; Solorzano-Maldonado, K.; Panneerselvam, K.; Rodríguez-Romero, A.; Soriano-García, M.","Dimethyl(2-{[2,3-di(<i>p</i>-tolyl)-5-methyl-1-indenylidene](<i>p</i>-tolyl)methyl}-5-methoxyphenylmethyl)amine","Acta Crystallographica Section C","1996","52","2","460","462","10.1107/S0108270195010146","","","1.54178","CuKα","","0.0902","0.0652","","0.2186","0.1704","","","","1.106","1.058","1.058","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004545","9.691","0.002","9.691","0.002","24.841","0.006","90","","90","","120","","2020.4","0.8","140","2","140","2","","","","","","","","3","P 32 2 1","P 32 2""","154","1,4-benzoquinonebis(1,2-diphenylethyleneketal)","1,4,9,12-Tetraoxa-2,3,10,11-tetraphenyldispiro[4.2.4.2]tetradeca-6,13-diene","","- C34 H28 O4 -","- C34 H28 O4 -","- C102 H84 O12 -","3","0.5","SZ1047","Hibbs, D. E.; Hursthouse, M. B.; Malik, K. M. A.; Ward, R. S.; Pelter, A.; Aalberg, L.","2,3,10,11-Tetraphenyl-1,4,9,12-tetraoxadispiro[4.2.4.2]tetradeca-6,13-diene","Acta Crystallographica Section C","1996","52","2","379","381","10.1107/S0108270195012327","","","0.71069","MoKα","","0.0442","0.0309","","0.0629","0.061","","","","0.892","0.982","0.982","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004546","7.638","0.002","10.603","0.003","14.364","0.005","107.63","0.02","94.57","0.02","107.12","0.02","1041.2","0.6","296","","","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N6 O3 -","- C22 H20 N6 O3 -","- C44 H40 N12 O6 -","2","1","TA1026","Yang, Q.-C.; Huang, D.-M.; Chen, H.-Y.; Tang, Y.-Q.","A 1:1 Molecular Complex of 1,5-Diphenylbiuret and Phenyl Carbamidonitrile","Acta Crystallographica Section C","1996","52","2","470","472","10.1107/S0108270195010900","","","0.71073","MoKα","","","0.0578","","","0.0637","","","","","2.45","2.45","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004547","18.472","0.004","13.207","0.002","13.592","0.002","90","","107.87","0.01","90","","3155.9","1","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 Cl3 Cr N7 O12 -","- C24 H27 Cl3 Cr N7 O12 -","- C96 H108 Cl12 Cr4 N28 O48 -","4","1","TA1028","McLachlan, G. A.; Fallon, G. D.; Spiccia, L.","[Cr{tren(impy)~3~}](ClO~4~)~3~, where tren(impy)~3~ = N[CH~2~CH~2~N= C(H)(py)]~3~","Acta Crystallographica Section C","1996","52","2","309","312","10.1107/S0108270195008870","","","0.71073","MoKα","","","0.056","","","0.074","","","","","1.83","1.83","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004548","14.109","0.001","14.109","0.001","26.697","0.005","90","","90","","120","","4602.4","1","293","1","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C33 H45 N5 O3 -","- C33 H45 N5 O3 -","- C198 H270 N30 O18 -","6","0.333333","TA1031","de Bruyn, P. J.; Gable, R. W.; Potter, A. C.; Solomon, D. H.","1:1 Adduct of Tris(4-hydroxy-3,5-dimethylbenzyl)amine and Hexamethylenetetramine","Acta Crystallographica Section C","1996","52","2","466","468","10.1107/S0108270195011127","","","0.71073","MoKα","","0.0468","0.0353","","0.0974","0.0916","","","","1.036","1.109","1.109","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004549","7.906","0.004","14.687","0.003","32.908","0.002","90","","92.05","0.02","90","","3819","2","213","1","213","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Br N O5 -","- C20 H22 Br N O5 -","- C160 H176 Br8 N8 O40 -","8","2","TA1039","Banwell, M. G.; Hockless, D. C. R.; Peters, S. C.","An <i>ABC</i>-ring Analogue of Paclitaxel (Taxol^TM^)","Acta Crystallographica Section C","1996","52","2","370","372","10.1107/S0108270195010869","","","1.5418","CuKα","","0.0571","0.041","","0.0433","0.041","","","","","2.23","2.23","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004550","6.178","0.002","12.083","0.001","12.492","0.002","90","","91.73","0.02","90","","932.1","0.3","213.2","","213","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 O2 -","- C12 H12 O2 -","- C48 H48 O8 -","4","1","TA1041","Banwell, M. G.; Hockless, D. C. R.; Walter, J. M.","4a-Phenylperhydro-1,4-dioxacyclopropa[<i>cd</i>]pentalene","Acta Crystallographica Section C","1996","52","2","368","369","10.1107/S0108270195010882","","","1.5418","CuKα","","","0.038","","","0.035","","","","","1.62","1.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004551","4.8061","0.001","13.262","0.004","14.195","0.004","90","","90","","90","","904.8","0.4","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Aza-9(10H)-acridone","","- C12 H8 N2 O -","- C12 H8 N2 O -","- C48 H32 N8 O4 -","4","1","TA1053","Clark, G. R.; Squire, C. J.","4-Aza-9(10<i>H</i>)-acridone","Acta Crystallographica Section C","1996","52","2","366","368","10.1107/S0108270195011589","","","0.71069","MoKα","","0.135","0.073","","0.2109","0.1637","","","","1.108","1.178","1.178","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004552","8.587","0.001","10.39","0.001","19.707","0.003","81","0.01","86.96","0.01","69.11","0.01","1622.4","0.4","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","Sodium tetraphenylcyclopentadienylate bis(dimethoxyethane)","","- C37 H41 Na O4 -","- C37 H41 Na O4 -","- C74 H82 Na2 O8 -","2","1","AB1228","Näther, C.; Hauck, T.; Bock, H.","Sodium Tetraphenylcyclopentadienide Bis(dimethoxyethane)","Acta Crystallographica Section C","1996","52","3","570","572","10.1107/S0108270195010687","","","0.71073","MoKα","","0.0875","0.0522","","0.1532","0.13","","","","1.015","1.068","1.068","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004553","21.839","0.009","8.995","0.005","11.823","0.005","90","","95.91","0.04","90","","2310.2","1.9","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Br2 Co N2 O2 -","- C26 H18 Br2 Co N2 O2 -","- C104 H72 Br8 Co4 N8 O8 -","4","0.5","AB1229","Elmali, A.; Elerman, Y.; Svoboda, I.; Fuess, H.","<i>trans</i>-Bis[<i>N</i>-(4-bromophenyl)salicylaldiminato]cobalt(II)","Acta Crystallographica Section C","1996","52","3","553","554","10.1107/S0108270195011875","","","0.71069","MoKα","","0.0566","0.0334","","0.0924","0.0783","","","","1.057","1.053","1.053","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004554","15.1058","0.0006","7.5393","0.0002","6.6094","0.0003","90","","106.2","0.003","90","","722.84","0.05","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C5 H4 Li2 O7 -","- C5 H4 Li2 O7 -","- C20 H16 Li8 O28 -","4","0.5","AB1272","Gonçalves, N. S.; Santos, P. S.; Vencato, I.","Lithium Croconate Dihydrate","Acta Crystallographica Section C","1996","52","3","622","624","10.1107/S0108270195011887","","","0.71073","Mo","","0.0517","0.0472","","","0.0513","","","","","0.884","0.884","","","","","has coordinates","191094","2020-10-21","18:00:00",""
"2004555","13.479","0.005","10.197","0.003","13.954","0.005","90","","115.06","0.02","90","","1737.4","1.1","293","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H21 Cd N7 Ni O -","- C11 H21 Cd N6 Ni On2 -","- C44 H84 Cd4 N24 Ni4 On8 -","4","0.5","AB1281","Yuge, H.; Nishikiori, S.-I.; Iwamoto, T.","Double and Triple Interpenetrations of the Three-Dimensional Frameworks [Cd(mea)(daptn){Ni(CN)~4~}] and [Cd(mea)(dahxn){Ni(CN)~4~}].H~2~O (mea = 2-Aminoethanol, daptn = 1,5-Diaminopentane, dahxn = 1,6-Diaminohexane)","Acta Crystallographica Section C","1996","52","3","575","578","10.1107/S0108270195011899","","","0.71069","MoKα","","","0.0379","","","0.0529","","","","","1.359","1.359","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004556","9.247","0.002","13.434","0.006","16.367","0.003","90","","105.6","0.02","90","","1958.3","1.1","293","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H25 Cd N7 Ni O2 -","- C12 H25 Cd N6 Ni O On2 -","- C48 H100 Cd4 N24 Ni4 O4 On8 -","4","0.5","AB1281","Yuge, H.; Nishikiori, S.-I.; Iwamoto, T.","Double and Triple Interpenetrations of the Three-Dimensional Frameworks [Cd(mea)(daptn){Ni(CN)~4~}] and [Cd(mea)(dahxn){Ni(CN)~4~}].H~2~O (mea = 2-Aminoethanol, daptn = 1,5-Diaminopentane, dahxn = 1,6-Diaminohexane)","Acta Crystallographica Section C","1996","52","3","575","578","10.1107/S0108270195011899","","","0.71069","MoKα","","","0.0431","","","0.0443","","","","","1.172","1.172","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004557","9.001","0.001","10.321","0.001","25.121","0.002","90","","94.85","0.01","90","","2325.4","0.4","293","1","293","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3-Dicyclopropyl-2-(1',2',3'-triphenylcyclopropen-3-yl)-propane-1,3-dione","","- C30 H26 O2 -","- C30 H26 O2 -","- C120 H104 O8 -","4","1","AB1296","Kopf, J.; Bretzke, C.; Domnin, I. N.; Plotkin, V. N.","1,3-Dicyclopropyl-2-(1,2,3-triphenylcyclopropen-3-yl)propane-1,3-dione: a Substituted Cyclopropene with a β-Dicarbonyl Fragment","Acta Crystallographica Section C","1996","52","3","722","724","10.1107/S0108270195012959","","","1.54178","CuKα","","0.0504","0.0482","","0.142","0.1397","","","","1.049","1.07","1.07","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004558","10.882","0.001","10.367","0.001","15.778","0.001","90","","99.39","0.01","90","","1756.1","0.3","293","1","293","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1'-(2,2-Dimethyl-1,3-propanedioyl)-5,5,5',5'-tetramethyl- bis-(1H-pyrrole)-2,2'(5H,5'H)-dione","","- C17 H22 N2 O4 -","- C17 H22 N2 O4 -","- C68 H88 N8 O16 -","4","1","AB1302","Kopf, J.; Wrobel, M. N.; Margaretha, P.","1,3-Bis(2,5-dihydro-5,5-dimethyl-2-oxo-1-pyrrolyl)-2,2-dimethyl-1,3-propanedione","Acta Crystallographica Section C","1996","52","3","672","674","10.1107/S0108270195012960","","","1.54178","CuKα","","0.0456","0.0437","","0.1334","0.1297","","","","1.115","1.121","1.121","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004559","7.381","0.001","32.096","0.002","7.884","0.001","90","","94.94","0.11","90","","1860.8","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","","","heroin","7,8-didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol diacetate","","- C21 H23 N O5 -","- C21 H23 N O5 -","- C84 H92 N4 O20 -","4","2","AB1311","Deschamps, J. R.; George, C.; Flippen-Anderson, J. L.","A Diacetylmorphine Polymorph","Acta Crystallographica Section C","1996","52","3","698","700","10.1107/S0108270195013503","","","1.54178","CuKα","","0.0595","0.0481","","0.1384","0.1262","","","","1.006","1.011","1.011","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004560","9.1029","0.0014","11.395","0.002","17.49","0.002","90","","104.953","0.01","90","","1752.8","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(trifluoromethyl)triphenylphosphinegold(I)","","- C19 H15 Au F3 P -","- C19 H15 Au F3 P -","- C76 H60 Au4 F12 P4 -","4","1","AB1330","Flörke, U.; Haupt, H.-J.; Jones, P. G.","Trifluoromethyl(triphenylphosphine)gold(I)","Acta Crystallographica Section C","1996","52","3","609","611","10.1107/S0108270195014880","","","0.71073","MoKα","","0.0317","0.0227","","0.0514","0.0496","","","","0.924","0.994","0.994","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004561","9.843","0.002","13.153","0.005","18.517","0.006","87.33","0.04","78.26","0.02","84.45","0.02","2335.3","1.3","294","1","294","1","","","","","","","","5","P -1","-P 1","2","Tris(triphenylsilyl)arsenite","Tris(triphenylsilyl)arsenite","","- C54 H45 As O3 Si3 -","- C54 H45 As O3 Si3 -","- C108 H90 As2 O6 Si6 -","2","1","AB1333","Ferguson, G.; Pollock, J. W.; O'Leary, B.; Spalding, T. R.","Tris(triphenylsilanolato)arsenite(III)","Acta Crystallographica Section C","1996","52","3","619","622","10.1107/S0108270195015629","","","0.7107","MolybdenumKα","","0.0572","0.0386","","0.1133","0.1072","","","","1.087","1.185","1.185","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004562","9.53","0.003","10.268","0.002","13.235","0.003","70.34","0.02","86.15","0.02","84.81","0.02","1213.7","0.5","294","1","294","1","","","","","","","","6","P -1","-P 1","2","","5,5-bis(dimethylphenylphosphine)-arachno-4,6-dithia-5-palladanonaborane","","- C16 H30 B6 P2 Pd S2 -","- C16 H30 B6 P2 Pd S2 -","- C32 H60 B12 P4 Pd2 S4 -","2","1","AB1335","Ferguson, G.; McCarthy, D. E.; Spalding, T. R.; Kennedy, J. D.","5,5-Bis(dimethylphenylphosphine)-4,6-dithia-5-pallada-<i>arachno</i>-nonaborane","Acta Crystallographica Section C","1996","52","3","548","550","10.1107/S0108270195015952","","","0.7107","MolybdenumKα","","0.071","0.038","","0.0913","0.0837","","","","1","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004563","11.478","0.003","13.027","0.003","17.55","0.004","90","","101.29","0.02","90","","2573.4","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis(triethylamine) Octamolybdate(VI) dihydrate","","- C24 H68 Mo8 N4 O28 -","- C24 H68 Mo8 N4 O28 -","- C48 H136 Mo16 N8 O56 -","2","0.5","AS1175","Fun, H.-K.; Yip, B.-C.; Niu, J.-Y.; You, X.-Z.","Tetrakis(triethylammonium) Octamolybdate(VI) Dihydrate","Acta Crystallographica Section C","1996","52","3","506","509","10.1107/S0108270195011747","","","0.71073","MoKα","","0.0364","0.0337","","0.0938","0.0925","","","","1.174","1.21","1.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004564","15.223","0.006","9.321","0.003","18.792","0.006","90","","104.77","0.02","90","","2578.4","1.6","260","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 Co N4 S3 -","- C23 H32 Co N4 S3 -","- C92 H128 Co4 N16 S12 -","4","1","AS1185","Yu, P.; Zhuang, B.; Huang, L.; Pan, B.","Tetraethylammonium Tris(pyridine-2-thiolato-<i>S</i>,<i>N</i>)cobalt(II), (Et~4~N)[Co(2-S-C~5~H~4~N)~3~]","Acta Crystallographica Section C","1996","52","3","630","632","10.1107/S0108270195010596","","","0.71069","MoKα","","","0.038","","","0.054","","","","","1.43","1.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004565","10.0284","0.001","15.7731","0.0013","15.6012","0.0015","114.715","0.008","102.418","0.014","78.189","0.009","2170.9","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","ap-8-chrolo-1,4-dimetyl-9-(2-methylbenzyl)triptycene","","- C30 H25 Cl -","- C30 H25 Cl -","- C120 H100 Cl4 -","4","2","AS1189","Nemoto, T.; Ohashi, Y.; Yamamoto, G.","<i>ap</i>-8-Chloro-1,4-dimethyl-9-(2-methylbenzyl)triptycene and <i>sc</i>*(9<i>S</i>*)-8-Chloro-1,4-dimethyl-9-(2-methylbenzyl)triptycene","Acta Crystallographica Section C","1996","52","3","716","720","10.1107/S0108270195009048","","","1.54184","CuKα","","0.0639","0.0608","","0.2107","0.2034","","","","1.075","1.067","1.067","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004566","23.803","0.003","8.4646","0.001","11.083","0.002","90","","98.13","0.04","90","","2210.6","0.6","296","2","296","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","sc^*^(9S^*^)-8-chloro-1,4-dimethyl-9-(2-methylbenzyl)triptycene","","- C30 H25 Cl -","- C30 H25 Cl -","- C120 H100 Cl4 -","4","1","AS1189","Nemoto, T.; Ohashi, Y.; Yamamoto, G.","<i>ap</i>-8-Chloro-1,4-dimethyl-9-(2-methylbenzyl)triptycene and <i>sc</i>*(9<i>S</i>*)-8-Chloro-1,4-dimethyl-9-(2-methylbenzyl)triptycene","Acta Crystallographica Section C","1996","52","3","716","720","10.1107/S0108270195009048","","","1.54184","CuKα","","0.1001","0.089","","0.2291","0.219","","","","1.109","1.143","1.143","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2004567","10.733","0.001","17.017","0.002","7.683","0.0001","90","","97.49","0.01","90","","1391.3","0.2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ferrocinium tetrachloroantimonate.","","- C10 H10 Cl4 Fe Sb -","- C10 H10 Cl4 Fe Sb -","- C40 H40 Cl16 Fe4 Sb4 -","4","1","AS1201","Yamin, B. M.; Fun, H.-K.; Sivakumar, K.; Yip, B.-C.; Shawkataly, O. B.","Ferrocenium Tetrachloroantimonate","Acta Crystallographica Section C","1996","52","3","600","602","10.1107/S0108270195010948","","","0.71073","MoKα","","0.0259","0.0248","","0.0624","0.0618","","","","1.094","1.109","1.109","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004568","7.055","0.003","19.118","0.005","15.568","0.005","90","","98.32","0.04","90","","2077.7","1.3","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H50 N6 O8 -","- C44 H50 N6 O8 -","- C88 H100 N12 O16 -","2","1","AS1202","Miyake, H.; Yamashita, T.; Hirotsu, K.; Kojima, Y.","A Cyclic Hexa-Pseudopeptide Constructed from <i>N</i>,<i>N</i>'-Ethylene-Bridged (<i>S</i>)-Phenylalanyl-(<i>S</i>)-Phenylalanine and Glycine","Acta Crystallographica Section C","1996","52","3","681","684","10.1107/S0108270195011905","","","0.7107","MoKα","","","0.047","","","0.059","","","","","1.63","1.63","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004569","7.046","0.001","7.9939","0.0009","9.1","0.003","106.81","0.02","89","0.03","114.74","0.01","442.45","0.18","296","","","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H6 Br Cd N O3 -","- C6 H6 Br Cd N O3 -","- C12 H12 Br2 Cd2 N2 O6 -","2","1","AS1203","Zhang, C.; Xu, D.; Xu, Y.; Huang, X.","The Polymeric Cadmium Complex Poly[μ-(nicotinato-<i>O</i>,<i>O</i>':<i>N</i>)-μ-bromo-monoaquacadmium]","Acta Crystallographica Section C","1996","52","3","591","593","10.1107/S0108270195011917","","","0.71073","MoKα","","","0.027","","","0.038","","","","","1.13","1.13","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004570","13.1844","0.0009","6.2358","0.0007","17.562","0.002","90","","107.719","0.006","90","","1375.4","0.2","293","1","293","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","methyl trans-9,10-dihydro-9,10-ethanoanthracene-11-carboxylate","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","AS1205","Gable, R. W.; Qureshi, A.; Schiesser, C. H.","Methyl <i>trans</i>-9,10-Dihydro-9,10-ethanoanthracene-11-carboxylate","Acta Crystallographica Section C","1996","52","3","674","675","10.1107/S0108270195010985","","","1.5418","CuKα(nickelfiltered)","","0.0463","0.0359","","0.0958","0.0877","","","","1.024","1.05","1.05","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004571","12.163","0.001","11.359","0.001","10.309","0.002","90","","113.58","0.01","90","","1305.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Cyclohexyl-3-phenyl thiourea","","- C13 H18 N2 S -","- C13 H18 N2 S -","- C52 H72 N8 S4 -","4","1","AS1207","Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Srinivasan, N.; Ramadas, K.; Fun, H.-K.","1-Cyclohexyl-3-phenylthiourea","Acta Crystallographica Section C","1996","52","3","656","658","10.1107/S0108270195014065","","","0.71073","MoKα","","0.0601","0.0442","","0.1273","0.1201","","","","1.021","1.13","1.13","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004572","13.9887","0.0009","23.444","0.001","7.8082","0.0006","90","","90","","90","","2560.7","0.3","293","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C128 H120 N8 O32 -","8","1","AS1210","Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.","Coumarin 343, C~16~H~15~NO~4~","Acta Crystallographica Section C","1996","52","3","679","681","10.1107/S0108270195012820","","","1.54184","CuKα","","","0.044","","","0.058","","","","","2.56","2.56","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004573","38.4","0.05","11","0.05","9.6","0.05","90","","97","0.1","90","","4025","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C176 H232 N8 O24 -","8","1","AS1211","Hamodrakas, S. J.; Perrakis, A.; Antoniadou-Vyzas, E.","A <i>de novo</i> Designed Possible 5-Lipoxygenase Inhibitor: α-Acetoxy-<i>N</i>-[1-(1-tricyclo[3.3.1.1^3,7^]dec-1-yl)ethyl]benzeneacetamide","Acta Crystallographica Section C","1996","52","3","677","679","10.1107/S0108270195013084","","","0.92","Monochromatic","","0.0682","0.0442","","0.277","0.105","","","","0.938","0.947","0.947","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2004574","32.686","0.004","4.094","0.005","10.257","0.007","90","","95.08","0.03","90","","1367.2","1.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Ethyl 4-[4'-(4""-n-octyloxybenzoyloxy)benzylidene]aminobenzoate","","- C31 H35 N O5 -","- C31 H35 N O5 -","- C62 H70 N2 O10 -","2","1","AS1215","Kurogoshi, S.; Hori, K.","Ethyl and Butyl 4-[4-(4-<i>n</i>-Octyloxybenzoyloxy)benzylidene]aminobenzoates","Acta Crystallographica Section C","1996","52","3","660","663","10.1107/S0108270195013321","","","1.5418","CuKα","","0.1154","0.0692","","0.872","0.1937","","","","1.052","1.014","1.014","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004575","9.577","0.002","34.681","0.006","9.562","0.003","97.43","0.02","108.28","0.02","83.74","0.02","2982.4","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Butyl 4-[4'-(4""-n-octyloxybenzoyloxy)benzylidene]aminobenzoate","","- C33 H39 N O5 -","- C33 H34 N O5 -","- C132 H136 N4 O20 -","4","2","AS1215","Kurogoshi, S.; Hori, K.","Ethyl and Butyl 4-[4-(4-<i>n</i>-Octyloxybenzoyloxy)benzylidene]aminobenzoates","Acta Crystallographica Section C","1996","52","3","660","663","10.1107/S0108270195013321","","","1.5418","CuKα","","0.104","0.0725","","0.5923","0.2223","","","","1.066","1.097","1.097","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004576","7.71","0.005","12.354","0.002","10.92","0.002","90","","106.92","0.02","90","","995.1","0.7","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N O5 -","- C10 H9 N O5 -","- C40 H36 N4 O20 -","4","1","AS1218","Okabe, N.; Miura, J.; Shimosaki, A.","Xanthurenic Acid Monohydrate","Acta Crystallographica Section C","1996","52","3","663","665","10.1107/S0108270195013072","","","0.71069","MoKα","","","0.072","","","0.087","","","","","2.64","2.64","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2004577","12.723","0.004","13.429","0.002","8.737","0.007","103.54","0.03","99.02","0.05","92.72","0.04","1427.8","1.3","296","","296","","","","","","","","","5","P -1","-P 1","2","hexaazatriphenylenehexacarboxamide solvate","","","- C22 H25 N12 O8.5 S2 -","- C22 H25 N12 O8.5 S2 -","- C44 H50 N24 O17 S4 -","2","1","BK1108","Beeson, J. C.; Czarnik, A. W.; Fitzgerald, L. J.; Gerkin, R. E.","Hexaazatriphenylenehexacarboxamide Solvate Exhibiting π-Complexation in the Solid State","Acta Crystallographica Section C","1996","52","3","724","729","10.1107/S0108270195011036","","","0.71073","MoKα","","","0.047","","","0.052","","","","","1.68","1.68","","","","","has coordinates","192027","2020-10-21","18:00:00",""
"2004578","18.326","0.004","16.953","0.003","13.516","0.003","90","","111.25","0.03","90","","3913.7","1.6","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","aqua(2,2'-bipyrimidine-N,N')(4,5-dihydroxy-1,2-benzoquinonate-O,O')copper(II) pentahydrate","","- C14 H20 Cu N4 O10 -","- C14 H20 Cu N4 O10 -","- C112 H160 Cu8 N32 O80 -","8","1","BK1126","Decurtins, S.; Schmalle, H. W.; Schneuwly, P.; Zheng, L.-M.","Two 2,5-Dihydroxy-1,4-benzoquinonate-<i>O</i>,<i>O</i>'-Containing Mononuclear Complexes: [Cu(C~6~H~2~O~4~)(C~8~H~6~N~4~)(H~2~O)].5H~2~O and [Ni(C~6~H~2~O~4~)(C~12~H~12~N~2~)~2~].H~2~O (C~8~H~6~N~4~ = 2,2'-Bipyrimidine, C~12~H~12~N~2~ = 4,4'-Dimethyl-2,2'-bipyridine)","Acta Crystallographica Section C","1996","52","3","561","566","10.1107/S0108270195010298","","","0.71073","MoKα","","0.1518","0.0481","","0.1468","0.1055","","","","1.039","1.091","1.091","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004579","12.942","0.003","12.942","0.003","29.326","0.006","90","","90","","120","","4253.9","1.6","295","2","295","2","","","","","","","","5","P 61","P 61","169","","bis(4,4'-dimethyl-2,2'-bipyridine-N,N')(4,5-dihydroxy-1,2-benzoquinonate-O,O')- nickel(II) monohydrate","","- C30 H28 N4 Ni O5 -","- C30 H27 N4 Ni O5 -","- C180 H162 N24 Ni6 O30 -","6","1","BK1126","Decurtins, S.; Schmalle, H. W.; Schneuwly, P.; Zheng, L.-M.","Two 2,5-Dihydroxy-1,4-benzoquinonate-<i>O</i>,<i>O</i>'-Containing Mononuclear Complexes: [Cu(C~6~H~2~O~4~)(C~8~H~6~N~4~)(H~2~O)].5H~2~O and [Ni(C~6~H~2~O~4~)(C~12~H~12~N~2~)~2~].H~2~O (C~8~H~6~N~4~ = 2,2'-Bipyrimidine, C~12~H~12~N~2~ = 4,4'-Dimethyl-2,2'-bipyridine)","Acta Crystallographica Section C","1996","52","3","561","566","10.1107/S0108270195010298","","","0.71073","MoKα","","0.1479","0.0521","","0.1812","0.1259","","","","1.233","1.215","1.215","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004580","6.879","0.002","8.215","0.002","11.961","0.002","90","","93.3","0.2","90","","674.8","0.3","298","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H17 B N4 O5 -","- C10 H17 B N4 O5 -","- C20 H34 B2 N8 O10 -","2","1","BK1157","Singh, P.; Zottola, M.; Huang, S.; Shaw, B. R.; Pedersen, L. G.","2'-Deoxycytidine-N(3)-cyanoborane Monohydrate","Acta Crystallographica Section C","1996","52","3","693","696","10.1107/S0108270195013412","","","0.71073","MoKα","","","0.0456","","","0.0511","","","","","2.06","2.06","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004581","12.8859","0.0004","12.9276","0.001","13.5328","0.0007","64.067","0.009","87.82","0.006","67.207","0.006","1845.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Ethanol-(2,3,7,8,12,13,17,18-Octaethylporphinato)manganese(III) Perchlorate","","- C38 H50 Cl Mn N4 O5 -","- C38 H46 Cl Mn N4 O5 -","- C76 H92 Cl2 Mn2 N8 O10 -","2","1","BK1159","Cheng, B.; Scheidt, W. R.","(Ethanol)(2,3,7,8,12,13,17,18-octaethylporphinato)manganese(III) Perchlorate","Acta Crystallographica Section C","1996","52","3","585","588","10.1107/S0108270195010705","","","0.71073","MoKα","","0.0856","0.0672","","0.1905","0.1767","","","","1.053","1.106","1.106","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004582","14.487","0.005","14.978","0.006","15.081","0.005","118.45","0.03","110.79","0.03","86.76","0.03","2664","2","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H56 Br4 Cu4 N4 O12 -","- C44 H56 Br5 Cu4 N4 O12 -","- C88 H112 Br10 Cu8 N8 O24 -","2","1","BM1020","Turpeinen, U.; Hämäläinen, R.; Mutikainen, I.; Orama, O.","Tetrakis[μ-(3-bromobenzoato)-μ-(2-dimethylaminoethanolato)-copper(II)]","Acta Crystallographica Section C","1996","52","3","568","570","10.1107/S0108270195012406","","","0.71069","MoKα","","","0.054","","","0.0647","","","","","1.36","1.36","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004583","3.614","0.001","31.543","0.002","6.75","0.001","90","","93.05","0.01","90","","768.4","0.2","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-[bis(p-nitrosalicylato)disilver(I)]","","- C14 H8 Ag2 N2 O10 -","- C14 H8 Ag2 N2 O10 -","- C28 H16 Ag4 N4 O20 -","2","0.5","BM1026","Tahir, M. N.; Ülkü, D.; Muvsumov, E. M.","Poly[bis(<i>p</i>-nitrosalicylato-<i>O</i>:<i>O</i>')disilver(I)-<i>O</i>^3^:<i>Ag</i>';<i>Ag</i>:<i>O</i>^3'^]","Acta Crystallographica Section C","1996","52","3","593","595","10.1107/S010827019501314X","","","0.71073","MoKα","","0.1657","0.054","","","0.065","","","","","0.7","0.7","","","","","has coordinates","278313","2022-10-03","10:12:56",""
"2004584","11.371","0.001","15.433","0.001","17.954","0.001","90","","104.738","0.006","90","","3047.1","0.4","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dimethylaluminium diphenylphosphinate","","- C28 H32 Al2 O4 P2 -","- C28 H32 Al2 O4 P2 -","- C112 H128 Al8 O16 P8 -","4","0.5","BM1033","Corker, J. M.; Browning, D. J.; Webster, M.","Bis(μ-diphenylphosphinato-<i>O</i>:<i>O</i>')bis(dimethylaluminium)","Acta Crystallographica Section C","1996","52","3","583","585","10.1107/S0108270195013266","","","1.54178","CuKα","","","0.062","","","0.089","","","","","2.25","2.25","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2004585","9.627","0.008","10.584","0.007","17.084","0.009","90","","93.15","0.06","90","","1738","2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,5-Di(benzoylthio)-4,5-didehydro-1,3-dithiolane-2-thione","","- C17 H10 O2 S5 -","- C17 H10 O2 S5 -","- C68 H40 O8 S20 -","4","1","BM1041","Cox, P. J.; Doidge-Harrison, S. M. S. V.","Redetermination of 4,5-Di(benzoylthio)-4,5-didehydro-1,3-dithiolane-2-thione at 120 K","Acta Crystallographica Section C","1996","52","3","720","722","10.1107/S0108270195015162","","","0.71069","MoKα","","0.089","0.0434","","0.0921","0.0855","","","","0.71","0.932","0.932","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004586","9.48","0.003","9.4","0.003","7.399","0.002","90","","112.22","0.03","90","","610.4","0.3","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Mercury(II) hydrogenselenite selenite","Mercury(II) bis(hydrogenselenite) bis(selenite)","","- H2 Hg3 O12 Se4 -","- Hg3 O12 Se4 -","- Hg6 O24 Se8 -","2","0.5","BR1108","Koskenlinna, M.; Valkonen, J.","Mercury(II) Hydrogenselenite Selenite","Acta Crystallographica Section C","1996","52","3","491","493","10.1107/S0108270195012480","","","0.71073","MoKα","","","0.029","","","0.036","","","","","1.037","1.037","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004587","10.848","0.001","10.848","0.001","10.848","0.001","90","","90","","90","","1276.6","0.2","292","","292","","","","","","","","","6","F m -3 m","-F 4 2 3","225","Cadmium iridium hexacyanide dodecahydrate","Cadmium hexacyanoiridate (III) dodecahydrate","","- C12 H24 Cd3 Ir2 N12 O12 -","- C16.008 Cd4 Ir2.668 N16.008 O15.988 -","- C16.008 Cd4 Ir2.668 N16.008 O15.988 -","1","0.00520833","BR1126","Mullica, D. F.; Hayward, P. K.; Sappenfield, E. L.","Cadmium Hexacyanoiridate(III) Dodecahydrate","Acta Crystallographica Section C","1996","52","3","502","504","10.1107/S0108270195014387","","","0.71073","MoKα","","0.044","0.026","","1.335","0.032","","","","","1.099","1.099","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004588","20.348","0.004","13.501","0.002","11.701","0.003","90","","90","","90","","3214.5","1.1","293","","293","","","","","","","","","7","P b c n","-P 2n 2ab","60","","[bis(3-methylthiazolinylidene)]gold(I) trifluoromethanesulfonate","","- C9 H10 Au F3 N2 O3 S3 -","- C9 H10 Au F3 N2 O3 S3 -","- C72 H80 Au8 F24 N16 O24 S24 -","8","1","CF1002","Kruger, G. J.; Olivier, P. J.; Raubenheimer, H. G.","Bis(3-methyl-1,3-thiazolinylidene)gold(I) Trifluoromethanesulfonate","Acta Crystallographica Section C","1996","52","3","624","626","10.1107/S0108270195011152","","","0.71069","MoKα","","0.296","0.066","","0.071","0.054","","","","2.51","2.948","2.948","","","","","has coordinates","188742","2020-10-21","18:00:00",""
"2004589","14.428","0.006","12.885","0.006","7.999","0.005","90","","90","","90","","1487.1","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Tetrachlorobis(tetrahydrofuran)zirconium","Tetrachlorobis(tetrahydrofuran)zirconium","","- C8 H16 Cl4 O2 Zr -","- C8 H16 Cl4 O2 Zr -","- C32 H64 Cl16 O8 Zr4 -","4","1","CF1019","Eberle, M.; Röhr, C.","Tetrachlorobis(tetrahydrofuran-<i>O</i>)zirconium(IV)","Acta Crystallographica Section C","1996","52","3","566","568","10.1107/S0108270195011188","","","0.7107","MoKα","","0.0792","0.0686","","0.1965","0.1879","","","","1.096","1.151","1.151","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004590","7.784","0.003","20.606","0.005","11.705","0.003","90","","93.92","0.04","90","","1873.1","1","293","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Te -","- C24 H18 Te -","- C96 H72 Te4 -","4","1","CF1026","Chen, H.; Hamor, T. A.; Singh, K.; McWhinnie, W. R.","Bis(2-biphenyl) Telluride","Acta Crystallographica Section C","1996","52","3","711","713","10.1107/S0108270195011176","","","0.71073","MoKα","","","0.0346","","","0.0773","","","","","1.041","1.041","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004591","6.463","0.001","10.665","0.002","15.623","0.003","87.07","0.03","82.13","0.03","88.24","0.03","1065","0.3","297","","","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N O8 -","- C22 H21 N O8 -","- C44 H42 N2 O16 -","2","1","CR1169","Prayzner, P.; Ojadi, E. C. A.; Golen, J. A.; Williard, P. G.","3,4-Diphenylpyrrole-2,5-dicarboxylic Acid Acetic Acid Disolvate","Acta Crystallographica Section C","1996","52","3","665","667","10.1107/S0108270195010481","","","0.71073","MoKα","","","0.0578","","","0.0575","","","","","1.32","1.32","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004592","6.255","0.001","30.059","0.004","7.425","0.001","90","","113.95","0.02","90","","1275.8","0.4","295","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H11 I N2 S -","- C12 H11 I N2 S -","- C48 H44 I4 N8 S4 -","4","1","CR1172","Tafeenko, V. A.; Schenk, H.; Paseshnichenko, K. A.; Aslanov, L. A.","7-Methyl-6-phenylimidazo[2,1-<i>b</i>]thiazolium Iodide","Acta Crystallographica Section C","1996","52","3","729","731","10.1107/S0108270195006561","","","0.71073","MoKα","","","0.019","","","0.021","","","","","1.62","1.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004593","15.658","0.005","8.352","0.003","16.746","0.005","90","","124.31","0.02","90","","1808.9","1.1","22","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H24 Cl4 Cu2 N4 -","- C10 H24 Cl4 Cu2 N4 -","- C40 H96 Cl16 Cu8 N16 -","4","0.5","CR1200","Wang, Z.; Willett, R. D.; Molnar, S.; Brewer, K. J.","Monoclinic Form of [Cu(C~10~H~24~N~4~)]CuCl~4~","Acta Crystallographica Section C","1996","52","3","581","583","10.1107/S0108270195012091","","","0.71073","MoKα","","","0.0376","","","0.0565","","","","","0.75","0.75","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004594","9.238","0.002","14.388","0.003","11.763","0.002","90","","109.4","0.02","90","","1474.7","0.5","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-etoxi-1-(5-chlorine,4-nitrous,2-hidroxiphenil)azo,2-aminopropene","","- C12 H13 Cl N4 O5 -","- C12 H13 Cl N4 O5 -","- C48 H52 Cl4 N16 O20 -","4","1","CR1204","Rodrigues, B. L.; do Gambardella, M. T.; de Figueiredo, L. J.; Kascheres, C.","Ethyl 2-[(<i>E</i>)-5-Chloro-2-hydroxy-4-nitrophenylazo]-3-(<i>E</i>)-amino-2-butenoate","Acta Crystallographica Section C","1996","52","3","705","707","10.1107/S0108270195013023","","","0.71073","MoKα","","0.1067","0.0447","","0.0563","0.0397","","","","1.44","1.94","1.94","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004595","10.025","0.001","8.689","0.001","12.063","0.001","90","0.009","114.01","0.01","90","0.01","959.86","0.18","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-bis(2,2'-bipyrid-4-yl)benzene","","- C26 H18 N4 -","- C26 H18 N4 -","- C52 H36 N8 -","2","0.5","CR1205","Wang, W.; Baba, A.; Schmehl, R. H.; Mague, J. T.","A Rigid Bis-Bidentate Bridging Ligand: 1,4-Bis(2,2'-bipyrid-4-yl)benzene","Acta Crystallographica Section C","1996","52","3","658","660","10.1107/S010827019501242X","","","0.71073","MoKα","","0.082","0.038","","","0.047","","","","","1.494","1.494","","","","","has coordinates,has Fobs","278324","2022-10-03","14:41:53",""
"2004596","14.708","0.002","21.098","0.004","23.127","0.003","90","","93.29","0.01","90","","7164.7","1.9","230","2","230","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","Holmium ""carbons adjacent"" carborane-tmeda cluster","","","- C43 H111 B8 Cl2 Ho Li3 N8 Si4 -","- C43 H111 B8 Cl2 Ho Li3 N8 Si4 -","- C172 H444 B32 Cl8 Ho4 Li12 N32 Si16 -","4","1","CR1207","Zhang, H.; Wang, Y.; Maguire, J. A.; Hosmane, N. S.","A Holmium(III) `Carbons Adjacent' Carborane Cluster, [Li(C~6~H~16~N~2~)~2~][Li~2~(C~6~H~16~N~2~)~2~{HoCl~2~(C~8~H~22~B~4~Si~2~)~2~}].0.5C~6~H~6~","Acta Crystallographica Section C","1996","52","3","640","643","10.1107/S010827019501273X","","","0.71073","MoKα","","0.1028","0.0496","","0.1148","0.092","","","","0.992","1.053","1.053","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2004597","7.869","0.004","9.677","0.003","14.602","0.003","82.09","0.02","84.16","0.02","77.12","0.03","1070.7","0.7","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H24 N3 S4 Te -","- C15 H24 N3 S4 Te -","- C30 H48 N6 S8 Te2 -","2","1","DE1011","Rajashree, S.; Krishna Kumar, R.; Udupa, M. R.; Seshasayee, R.; Aravamudan, G.","The Hemi-Adduct of Bis(diethyldithiocarbamato-<i>S</i>,<i>S</i>')tellurium(II) with 4,4'-Bipyridyl","Acta Crystallographica Section C","1996","52","3","707","709","10.1107/S0108270195012273","","","0.71073","MoKα","","","0.027","","","0.03","","","","","0.62","0.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004598","30.973","0.008","8.04","0.005","21.268","0.006","90","","127.04","0.04","90","","4228","4","295","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 N2 O3 -","- C25 H24 N2 O3 -","- C200 H192 N16 O24 -","8","1","DE1014","Miao, F.-M.; Zhang, L.-J.; Wen, X.; Zhou, W.-H.; Niu, Z.-C.; Han, J.-G.; Liu, X.-L.","6'-Diethylamino-2'-methylaminospiro[isobenzofuran-1(3<i>H</i>),9'-[9<i>H</i>]xanthen]-3-one","Acta Crystallographica Section C","1996","52","3","700","702","10.1107/S0108270195013175","","","0.71073","MoKα","","","0.052","","","0.06","","","","","1.45","1.45","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004599","6.85","0.002","7.188","0.002","7.304","0.002","74.39","0.02","72.02","0.02","78.79","0.02","327.01","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Manganese Ethylenediammonium Bis(sulfate) Tetrahydrate","","- C2 H18 Mn N2 O12 S2 -","- C2 H18 Mn N2 O12 S2 -","- C2 H18 Mn N2 O12 S2 -","1","0.5","DU1123","Chaabouni, S.; Kamoun, S.; Daoud, A.; Jouini, T.","Manganese Ethylenediammonium Bis(sulfate) Tetrahydrate","Acta Crystallographica Section C","1996","52","3","505","506","10.1107/S0108270195011048","","","0.71069","MoKα","","0.0333","0.0329","","0.1019","0.1014","","","","1.154","1.167","1.167","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004600","17.252","0.003","16.565","0.003","10.422","0.002","90","","90","","90","","2978.4","0.9","200","1","200","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","Lithiumtetrapenylborate-Dihydrate-Bis(tetrahydrofuran)","","- C32 H40 B Li O4 -","- C32 H40 B Li O4 -","- C128 H160 B4 Li4 O16 -","4","0.5","DU1138","Schödel, H.; Vaupel, T.; Bock, H.","Lithium Tetraphenylborate.2thf.2H~2~O","Acta Crystallographica Section C","1996","52","3","637","640","10.1107/S0108270195012522","","","0.71073","MoKα","","0.0915","0.0495","","0.1607","0.1392","","","","1.102","1.202","1.202","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004601","10.5096","0.0008","10.873","0.001","14.32","0.001","90","","106.261","0.008","90","","1570.9","0.2","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Tris(ethylammonium)decavanadate dihydrate","","","- C6 H34 N6 O30 V10 -","- C6 H34 N6 O30 V10 -","- C12 H68 N12 O60 V20 -","2","0.5","DU1141","Ninclaus, C.; Riou, D.; Férey, G.","A New Decavanadate Dihydrate Templated by Ethylenediamine","Acta Crystallographica Section C","1996","52","3","512","514","10.1107/S010827019501105X","","","0.71073","MoKα","","0.0673","0.0237","","0.0625","0.1282","","","","0.994","0.994","0.994","","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2004602","5.59","0.001","5.6932","0.0008","7.878","0.002","90","","90.26","0.009","90","","250.71","0.09","295","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- La2 Li Mo O6 -","- La2 Li Mo O6 -","- La4 Li2 Mo2 O12 -","2","0.5","DU1142","Tortelier, J.; Gougeon, P.","La~2~LiMoO~6~","Acta Crystallographica Section C","1996","52","3","500","502","10.1107/S010827019501153X","","","0.71073","MoKα","","","0.026","","","0.033","","","","","0.764","0.764","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004603","17.682","0.004","10.292","0.003","11.855","0.003","90","","90","","90","","2157.4","1","293","","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H28 N4 Ni O7 S4 -","- C12 H28 N4 Ni O7 S4 -","- C48 H112 N16 Ni4 O28 S16 -","4","1","FG1049","Li, W.-Z.; Wang, J.-L.; Miao, X.-S.; Zhou, Y.; Miao, F.-M.","1,4,10,13-Tetrathia-7,16-diazacyclooctadecanenickel(II) Nitrate Hydrate","Acta Crystallographica Section C","1996","52","3","555","557","10.1107/S0108270195009619","","","0.71073","MoKα","","","0.034","","","0.037","","","","","1.876","1.876","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004604","7.3319","0.0008","12.3885","0.0009","12.8313","0.0009","114.805","0.009","98.699","0.009","100.923","0.009","1003.38","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Nickel(II)-bis-[(d,l)-dicampholylmethanat]","Nickel(II)-bis[1-((+)-(1'R,3'S)-1',2',2',3'-tetramethyl-cyclopent-1'yl)- 3-((-)-(1'S,3'R)-1',2',2',3'-tetramethyl-cyclopent-1'yl)-propan-1,3- dionate]","","- C42 H70 Ni O4 -","- C42 H70 Ni O4 -","- C42 H70 Ni O4 -","1","0.5","FG1065","Ficker, R.; Hiller, W.; Ossig, A.; Schurig, V.","Nickel(II) Bis(<i>d</i>-campholyl-<i>l</i>-campholylmethanate)","Acta Crystallographica Section C","1996","52","3","543","545","10.1107/S0108270195010663","","","1.54184","CuKα","","0.0472","0.0446","","0.1204","0.1163","","","","1.119","1.126","1.126","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004605","15.41","0.003","3.953","0.001","18.081","0.006","90","","90","","90","","1101.4","0.5","295","","","","","","","","","","","3","P n a 21","","","","1,8-dichloroanthracene","","- C14 H8 Cl2 -","- C14 H8 Cl2 -","- C56 H32 Cl8 -","4","1","FG1096","del Benites, M.; Maverick, A. W.; Fronczek, F. R.","1,8-Dichloroanthracene","Acta Crystallographica Section C","1996","52","3","647","648","10.1107/S0108270195014673","","","0.71073","MoKα","","","0.057","","","0.059","","","","","1.955","1.955","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004606","11.782","0.003","17.087","0.004","14.771","0.003","90","","91.29","0.02","90","","2972.9","1.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Chloro(propionyl-C)[2(1H)-pyridinonato-N,O]bis[tris(1-methylethyl)- phosphine]iridium(III)","","- C26 H51 Cl Ir N O2 P2 -","- C26 H51 Cl Ir N O2 P2 -","- C104 H204 Cl4 Ir4 N4 O8 P8 -","4","1","FG1097","Grotjahn, D. B.; Lo, H. C.; Groy, T. L.","Chloro(propionyl-<i>C</i>)[2(1<i>H</i>)-pyridonato-<i>N</i>,<i>O</i>]bis[tris(1-methylethyl)phosphine]iridium(III)","Acta Crystallographica Section C","1996","52","3","516","519","10.1107/S0108270195010997","","","0.71073","MoKα","","0.0331","0.0262","","0.0688","0.0647","","","","1.023","1.039","1.039","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2004607","12.575","0.002","13.42","0.001","13.53","0.002","93.64","","93.23","","95.23","","2264.7","0.5","298","2","566","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(triethylammonium) hexakis(isothiocyanato)-nickel(II)","","- C30 H64 N10 Ni S6 -","- C30 H64 N10 Ni S6 -","- C60 H128 N20 Ni2 S12 -","2","1","FG1110","Kruger, P. E.; McKee, V.","Tetrakis(triethylammonium) Hexakis(isothiocyanato-<i>N</i>)nickel(II)","Acta Crystallographica Section C","1996","52","3","617","619","10.1107/S0108270195013837","","","0.71073","MoKα","","0.0856","0.0552","","0.1638","0.1355","","","","1.024","1.047","1.047","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004608","6.359","0.001","16.752","0.002","13.653","0.001","90","","94.23","0.01","90","","1450.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-Methylenebis[5,5-dimethyl-2,2'-dioxide]1,3,2- dioxaphosphorinane","","- C11 H22 O6 P2 -","- C11 H22 O6 P2 -","- C44 H88 O24 P8 -","4","1","FG1133","Browning, C. S.; Burrow, T. E.; Farrar, D. H.; Lough, A. J.","2,2'-Methylenebis(5,5-dimethyl-1,3,2-dioxaphosphorinane 2-oxide)","Acta Crystallographica Section C","1996","52","3","652","654","10.1107/S0108270195014685","","","0.71073","MoKα","","0.058","0.0397","","0.1027","0.093","","","","1.015","1.05","1.05","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004609","11.805","0.004","12.428","0.003","10.021","0.004","100.89","0.03","114.89","0.03","77.51","0.03","1294.1","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","narceine hydrochloride","N,N-Dimethyl-2-[5-(2-carboxy-3,4-dimethoxybenzoylmethyl)-4-methoxy-1,3- benzodioxol-6-yl]ethylammonium Chloride (Narceine) Trihydrate","","- C23 H34 Cl N O11 -","- C23 H34 Cl N O11 -","- C46 H68 Cl2 N2 O22 -","2","1","HA1145","Baggio, R.; Baggio, S.; Pardo, M. I.; Capparelli, M. V.","Narceine Hydrochloride Trihydrate","Acta Crystallographica Section C","1996","52","3","703","705","10.1107/S0108270195012479","","","0.71073","MoKα","","0.0876","0.0485","","0.1627","0.1366","","","","1.026","1.103","1.103","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004610","8.215","0.002","7.105","0.003","9.512","0.002","90","","94.54","0.01","90","","553.5","0.3","294.2","","294.2","","","","","","","","","5","P 1 21 1","","","","","","- C7 H13 Cl2 N3 O2 -","- C10.5 H19.5 Cl3 N4.5 O3 -","- C21 H39 Cl6 N9 O6 -","2","1","HA1149","Vilchiz, V. H.; Norman, R. E.; Chang, S.-C.","<small>L</small>-Histidine Methyl Ester Dihydrochloride","Acta Crystallographica Section C","1996","52","3","696","698","10.1107/S0108270195013308","","","0.7107","MoKα","","","0.0327","","","0.0344","","","","","1.872","1.872","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004611","9.5234","0.002","14.528","0.005","12.913","0.003","90","","99.58","0.02","90","","1761.7","0.8","295","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 F6 Mo N O P -","- C15 H20 F6 Mo N O P -","- C60 H80 F24 Mo4 N4 O4 P4 -","4","1","HU1051","Wang, T.-F.; Wen, Y.-S.","Carbonyl(η^4^-1,3-cyclohexadiene)[(η^5^,κ<i>N</i>)-2-methylaminoethylcyclopentadienyl]molybdenum(II) Hexafluorophosphate","Acta Crystallographica Section C","1996","52","3","525","526","10.1107/S0108270195010328","","","0.7093","MoKα","","","0.035","","","0.045","","","","","2.73","2.73","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2004612","5.809","0.001","15.514","0.003","13.883","0.002","90","","90","","90","","1251.1","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 O3 S -","- C14 H12 O3 S -","- C56 H48 O12 S4 -","4","1","HU1074","Hellier, D. G.; Motevalli, M.","<i>cis</i>,<i>trans</i>-4,5-Diphenyl-1,3,2-dioxathiolane 2-Oxide, <i>cis</i>,<i>cis</i>-4,5-Diphenyl-1,3,2-dioxathiolane 2-Oxide and 4,4-Diphenyl-1,3,2-dioxathiolane 2-Oxide","Acta Crystallographica Section C","1996","52","3","739","743","10.1107/S0108270195012984","","","0.71069","MoKα","","0.073","0.0286","","0.082","0.0719","","","","0.921","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004613","6.456","0.001","7.808","0.001","12.636","0.002","93.86","0.01","98.97","0.01","98.81","0.01","619.03","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 O3 S -","- C14 H12 O3 S -","- C28 H24 O6 S2 -","2","1","HU1074","Hellier, D. G.; Motevalli, M.","<i>cis</i>,<i>trans</i>-4,5-Diphenyl-1,3,2-dioxathiolane 2-Oxide, <i>cis</i>,<i>cis</i>-4,5-Diphenyl-1,3,2-dioxathiolane 2-Oxide and 4,4-Diphenyl-1,3,2-dioxathiolane 2-Oxide","Acta Crystallographica Section C","1996","52","3","739","743","10.1107/S0108270195012984","","","0.71069","MoKα","","0.1945","0.0633","","0.1767","0.143","","","","0.862","1.197","1.197","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004614","8.748","0.001","17.697","0.002","8.418","0.001","90","","109.01","0.03","90","","1232.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H12 O3 S -","- C14 H12 O3 S -","- C56 H48 O12 S4 -","4","1","HU1074","Hellier, D. G.; Motevalli, M.","<i>cis</i>,<i>trans</i>-4,5-Diphenyl-1,3,2-dioxathiolane 2-Oxide, <i>cis</i>,<i>cis</i>-4,5-Diphenyl-1,3,2-dioxathiolane 2-Oxide and 4,4-Diphenyl-1,3,2-dioxathiolane 2-Oxide","Acta Crystallographica Section C","1996","52","3","739","743","10.1107/S0108270195012984","","","0.71069","MoKα","","0.0546","0.0357","","0.1284","0.1203","","","","1.017","1.13","1.13","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004615","21.594","0.003","12.399","0.002","24.783","0.003","90","","92.1","0.02","90","","6631","1.6","298","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","","","","","- C36 H30 Au B F4 P2 -","- C36 H30 Au B F8 P2 -","- C288 H240 Au8 B8 F64 P16 -","8","1","HU1080","Wang, J.-C.","[Au(PPh~3~)~2~]^+^[BF~4~]^{-^}","Acta Crystallographica Section C","1996","52","3","611","613","10.1107/S0108270195012376","","","0.71073","MoKα","","","0.0395","","","0.0525","","","","","1.03","1.03","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004616","13.922","0.003","21.002","0.002","24.866","0.002","90","","105.51","0.01","90","","7005.8","1.8","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C80 H73 B N5 P2 Re S Si -","- C80 H73 B N5 P2 Re S Si -","- C320 H292 B4 N20 P8 Re4 S4 Si4 -","4","1","HU1129","Gernert, M. B.; Kooijman, H.; Hiller, W. P.; Dilworth, J. R.; Parrott, S. J.","[Re(NNPh)(NNHPh){2-S-C~5~H~3~N-3-Si(CH~3~)~3~}(PPh~3~)~2~]BPh~4~","Acta Crystallographica Section C","1996","52","3","545","548","10.1107/S0108270195011851","","","0.71073","MoKα","","0.0952","0.0377","","0.07","0.0584","","","","1.007","1.06","1.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004617","4.972","0.001","9.379","0.002","11.326","0.002","90","","92.18","0.01","90","","527.78","0.18","100","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H12 N4 O4 -","- C10 H12 N4 O4 -","- C20 H24 N8 O8 -","2","1","HU1142","Marfurt, J.; Stulz, E.; Trafelet, H. U.; Zingg, A.; Leumann, C.; Hazenkamp, M.; Judd, R.; Schenker, S.; Strouse, G.; Ward, T. R.; Förtsch, M.; Hauser, J.; Bürgi, H.-B.","7-(2'-Deoxy-α-<small>D</small>-ribofuranosyl)hypoxanthine","Acta Crystallographica Section C","1996","52","3","713","716","10.1107/S0108270195012662","","","0.71069","MoKα","","","0.0268","","","0.0357","","","","","1.2618","1.2618","","","","","has coordinates,has Fobs","205898","2020-10-21","18:00:00",""
"2004618","6.078","0.001","9.996","0.002","23.888","0.004","90","","90","","90","","1451.3","0.4","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H24 O6 -","- C12 H24 O6 -","- C48 H96 O24 -","4","1","JZ1071","Berens, U.; Raabe, G.","(2<i>R</i>,3<i>R</i>,5<i>S</i>,6<i>S</i>)-2,3-Diethoxy-5,6-bis(hydroxymethyl)-2,3-dimethyl-1,4-dioxane","Acta Crystallographica Section C","1996","52","3","669","672","10.1107/S0108270195012194","","","0.71069","MoKα","","","0.054","","","0.048","","","","","2.284","2.284","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004619","7.489","0.001","27.829","0.006","8.257","0.002","90","","102.05","0.03","90","","1682.9","0.6","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","3^1^,3^2^-didehydrorhodochlorin-15-acetic acid trimethylester","(2S,3S)-8-ethenyl-13-ethyl-2,3-dihydro-18-(methoxycarbonyl)-20- (methoxycarbonylmethyl)-3,7,12,17-tetramethylporphyrin-2- propionic acid methyl ester","","- C37 H42 N4 O6 -","- C37 H42 N4 O6 -","- C74 H84 N8 O12 -","2","1","JZ1072","Pajunen, A.; Stapelbroek-Möllmann, M. E.; Hynninen, P. H.","3^1^,3^2^-Didehydrorhodochlorin-15-acetic Acid Trimethyl Ester","Acta Crystallographica Section C","1996","52","3","743","746","10.1107/S0108270195012169","","","0.71073","MoKα","","0.1488","0.0819","","0.2474","0.1906","","","","0.939","1.111","1.111","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004620","7.124","0.004","8.687","0.003","10.6064","0.0013","90","","98.85","0.04","90","","648.6","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","neptunocene","Bis(cyclooctatetraenyl)neptunium(IV)","","- C16 H16 Np -","- C16 H16 Np -","- C32 H32 Np2 -","2","0.5","JZ1077","De Ridder, D. J. A.; Rebizant, J.; Apostolidis, C.; Kanellakopulos, B.; Dornberger, E.","Bis(cyclooctatetraenyl)neptunium(IV)","Acta Crystallographica Section C","1996","52","3","597","600","10.1107/S0108270195013047","","","0.71073","MoKα","","0.054","0.031","","0","0.038","","","","0","1.065","1.065","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2004621","14.997","0.007","10.84","0.002","19.16","0.008","90","","113.04","0.02","90","","2866.3","1.9","213","2","213","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","trans-Dichlorotris(dimethylphenylphosphine)isothiocyanatotechnetium(III)","","- C25 H33 Cl2 N P3 S Tc -","- C25 H33 Cl2 N P3 S Tc -","- C100 H132 Cl8 N4 P12 S4 Tc4 -","4","1","JZ1079","Abram, U.; Abram, S.; Dilworth, J. R.","Mixed-Ligand Complexes of Technetium. XIV. Structure of <i>trans</i>-[TcCl~2~(NCS)(Me~2~PhP)~3~]","Acta Crystallographica Section C","1996","52","3","605","607","10.1107/S0108270195012923","","","0.71073","MoKα","","0.1193","0.0491","","0.0891","0.0668","","","","1.155","1.095","1.095","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004622","15.298","0.004","6.097","0.001","22.037","0.004","90","","106.72","0.02","90","","1968.5","0.7","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","catena-{dinitratotriaquabis[meso-2,5-bis(trimethylammonio)adipate] dicadmium(II) dinitrate}]","","- C24 H54 Cd2 N8 O23 -","- C24 H54 Cd2 N8 O23 -","- C48 H108 Cd4 N16 O46 -","2","0.5","JZ1080","Wu, D.-D.; Mak, T. C. W.","Polymeric Cadmium(II) Nitrate Adduct of a Flexible Double Betaine: [Cd~2~(<i>L</i>)~2~(NO~3~)~2~(H~2~O)~3~]~<i>n~</i>(NO~3~)~2<i>n~</i> [<i>L</i> = <i>meso</i>-2,5-Bis(trimethylammonio)adipate]","Acta Crystallographica Section C","1996","52","3","529","532","10.1107/S0108270195012133","","","0.71073","MoKα","","0.0693","0.0384","","0.0871","0.0751","","","","1.063","1.129","1.129","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004623","8.236","0.001","11.26","0.003","11.608","0.003","90.3","0.02","101.98","0.01","110.44","0.02","983.2","0.4","210","2","210","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 F N3 O7 Se -","- C16 H22 F N3 O7 Se -","- C32 H44 F2 N6 O14 Se2 -","2","1","JZ1086","Poleschner, H.; Schilde, U.","The First Structure of a Vicinal (<i>E</i>)-Fluoroselenoolefin: (<i>E</i>)-(5-Fluoro-4-octen-4-yl)dimethylselenonium Picrate","Acta Crystallographica Section C","1996","52","3","644","647","10.1107/S0108270195014260","","","0.71073","MoKα","","0.0378","0.0299","","0.0813","0.0762","","","","1.021","1.03","1.03","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004624","12.108","0.007","7.277","0.003","10.835","0.009","90","","107.58","0.05","90","","910.1","1","294","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","N-n-ethyl-N,N-dimethylammonio acetic acid bromide","","- C6 H14 Br N O2 -","- C6 H14 Br N O2 -","- C24 H56 Br4 N4 O8 -","4","1","KA1118","Rudert, R.; Schulz, B.; Reck, G.; Vollhardt, D.; Kriwanek, J.","<i>n</i>-Butyl(carboxymethyl)dimethylammonium Bromide and (Carboxymethyl)ethyldimethylammonium Bromide","Acta Crystallographica Section C","1996","52","3","648","652","10.1107/S0108270195011541","","","0.71073","MoKα","","","0.052","","","0.061","","","","","1.354","1.354","","","","","has coordinates","208381","2020-10-21","18:00:00",""
"2004625","11.11","0.007","13.428","0.005","15.038","0.005","90","","90","","90","","2243.4","1.8","294","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-n-Butyl-N,N-dimethylammonio Acetic Acid Bromide","","- C8 H18 Br N O2 -","- C8 H18 Br N O2 -","- C64 H144 Br8 N8 O16 -","8","2","KA1118","Rudert, R.; Schulz, B.; Reck, G.; Vollhardt, D.; Kriwanek, J.","<i>n</i>-Butyl(carboxymethyl)dimethylammonium Bromide and (Carboxymethyl)ethyldimethylammonium Bromide","Acta Crystallographica Section C","1996","52","3","648","652","10.1107/S0108270195011541","","","0.71073","MoKα","","","0.053","","","0.052","","","","","2.19","2.19","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2004626","7.93","0.004","11.018","0.004","15.512","0.006","96.01","0.03","98.93","0.03","108","0.03","1256.4","1","292","2","293","2","","","","","","","","5","P -1","-P 1","2","","Isothiocyanatobis(1,10-phenanthroline)copper(II) Tricyanomethanide","","- C29 H16 Cu N8 S -","- C29 H16 Cu N8 S -","- C58 H32 Cu2 N16 S2 -","2","1","KA1130","Potočňák, I.; Dunaj-Jurčo, M.; Mikloš, D.; Jäger, L.","Isothiocyanatobis(1,10-phenanthroline)copper(II) Tricyanomethanide","Acta Crystallographica Section C","1996","52","3","532","535","10.1107/S0108270195007487","","","0.71073","MoKα","","0.0809","0.046","","0.1459","0.1198","","","","0.969","1.004","1.004","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004627","9.125","0.002","9.241","0.002","10.532","0.002","90","","90","","90","","888.1","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","hydrazinium hexafluorogallate","","- F6 Ga H15 N6 -","- F6 Ga H15 N6 -","- F24 Ga4 H60 N24 -","4","1","KA1142","Meden, A.; Siftar, J.; Golic, L.","Hydrazinium(1+) Hexafluorogallate(III) and Hydrazinium(2+) Aquapentafluorogallate(III)","Acta Crystallographica Section C","1996","52","3","493","496","10.1107/S0108270195011310","","","0.71069","MoKα","","0.035","0.033","","0.019","0.019","","","","1.036","1.024","1.024","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004628","9.248","0.001","10.942","0.001","11.199","0.001","90","","90","","90","","1133.24","0.19","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","hydrazinium pentafluoroaquagallate","","- F5 Ga H8 N2 O -","- F5 Ga H8 N2 O -","- F40 Ga8 H64 N16 O8 -","8","1","KA1142","Meden, A.; Siftar, J.; Golic, L.","Hydrazinium(1+) Hexafluorogallate(III) and Hydrazinium(2+) Aquapentafluorogallate(III)","Acta Crystallographica Section C","1996","52","3","493","496","10.1107/S0108270195011310","","","0.71069","MoKα","","0.037","0.026","","0.024","0.019","","","","1.162","1.026","1.026","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004629","5.079","0.001","13.925","0.003","9.45","0.002","90","","93.3","0.01","90","","667.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-methyl-2-thiophene carboxylic-acid","","- C6 H6 O2 S -","- C6 H6 O2 S -","- C24 H24 O8 S4 -","4","1","KA1147","Rudiño-Piñera, E.; Panneerselvam, K.; Soriano-García, M.","5-Methyl-2-thiophenecarboxylic Acid","Acta Crystallographica Section C","1996","52","3","675","677","10.1107/S0108270195012467","","","1.54178","CuKα","","0.042","0.0388","","0.1628","0.1016","","","","1.242","1.047","1.047","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004630","11.073","0.003","14.64","0.003","14.979","0.002","90","","100.36","0.02","90","","2388.6","0.9","296","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 Cu2 N4 O12 -","- C52 H52 Cu2 N4 O12 -","- C104 H104 Cu4 N8 O24 -","2","0.5","KH1048","Yu, Y.-P.; Zhu, D.-L.; Liu, S.-X.","A Dimeric Copper(II) Complex of an α-Hydroxylated Acid: [Cu(C~14~H~8~O~3~)(C~9~H~7~N)(H~2~O)]~2~.2C~3~H~7~NO.2H~2~O","Acta Crystallographica Section C","1996","52","3","628","630","10.1107/S0108270195011474","","","0.71069","MoKα","","","0.0437","","","0.053","","","","","1.25","1.25","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004631","13.078","0.002","14.721","0.002","15.437","0.001","90","","90","","90","","2972","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tris(2-aminoethyl)amine nickel(II) acetate perchlorate","","- C8 H21 Cl N4 Ni O6 -","- C8 H21 Cl N4 Ni O6 -","- C64 H168 Cl8 N32 Ni8 O48 -","8","2","KH1049","Fun, H.-K.; Yip, B.-C.; Lu, Z.-L.; Duan, C.-Y.; Tian, Y.-P.; You, X.-Z.","(Acetato-<i>O</i>,<i>O</i>')[tris(2-aminoethyl)amine-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']nickel(II) Perchlorate","Acta Crystallographica Section C","1996","52","3","509","512","10.1107/S0108270195010389","","","0.71073","MoKα","","0.0394","0.0375","","0.1078","0.1064","","","","1.045","1.061","1.061","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004632","9.458","0.001","9.644","0.001","9.889","0.001","94.81","0.02","117.76","0.02","114.16","0.02","684.9","0.3","293","","","","","","","","","","","3","P -1","-P 1","2","","","","- C13 H22 O5 -","- C13 H22 O5 -","- C26 H44 O10 -","2","1","KH1053","Bidyasagar, M.; Ravikumar, K.; Hassan, S. J.; Yadav, J. S.","Methyl 3-(<i>RS</i>)-Hydroxy-4-[(<i>RS</i>)-3,4,5,6-tetrahydro-2<i>H</i>-2-pyranyloxy]cyclohexanecarboxylate","Acta Crystallographica Section C","1996","52","3","687","689","10.1107/S0108270195011991","","","0.71069","MoKα","","","0.053","","","0.06","","","","","0.861","0.861","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004633","10.082","0.001","10.746","0.002","19.155","0.009","95.81","0.02","98.05","0.02","112.63","0.01","1869.1","1","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H42 Cd3 Cl6 N4 O11 -","- C24 H32 Cd3 Cl6 N4 O11 -","- C48 H64 Cd6 Cl12 N8 O22 -","2","1","KH1054","Wu, D.-D.; Mak, T. C. W.","Cadmium(II) Chloride Adduct with an Olefinic Double Betaine: <i>catena</i>-Poly[tetraaquadiethanoltris[dichlorocadmium(II)] <i>cis</i>-bis(4-dimethylamino-1-pyridinio)butenedioate hydrate]","Acta Crystallographica Section C","1996","52","3","526","529","10.1107/S0108270195011760","","","0.71073","MoKα","","","0.051","","","0.072","","","","","1.93","1.93","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004634","10.13","0.005","9.107","0.002","17.62","0.004","90","","106.57","0.03","90","","1558","0.9","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H25 Al N2 -","- C14 H25 Al N2 -","- C56 H100 Al4 N8 -","4","1","KH1055","Ma, X.; Wu, L.; Pan, Y.; Huang, X.; Wang, X.; Zhu, C.","Trimethyl(1-methyl-4-phenylpiperazine-<i>N</i>^1^)aluminium","Acta Crystallographica Section C","1996","52","3","607","609","10.1107/S0108270195012546","","","0.71073","MoKα","","","0.055","","","0.067","","","","","1.69","1.69","","","","","has coordinates","264421","2021-04-22","15:32:46",""
"2004635","8.266","0.002","30.465","0.005","8.334","0.001","90","","90","","90","","2098.7","0.7","293","","293","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Bis(2-methyl-4-nitroanilinium) Tetrachlorocadmate","","- C14 H18 Cd Cl4 N4 O4 -","- C14 H18 Cd0.5 Cl3 N4 O4 -","- C56 H72 Cd2 Cl12 N16 O16 -","4","0.5","KH1059","Azumi, R.; Honda, K.; Goto, M.; Akimoto, J.; Oosawa, Y.; Tachibana, H.; Tanaka, M.; Matsumoto, M.","Bis(2-methyl-4-nitroanilinium) Tetrachlorocadmate","Acta Crystallographica Section C","1996","52","3","588","591","10.1107/S0108270195012935","","","0.7107","MoKα","","","0.043","","","0.042","","","","","1.23","1.23","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2004636","14.28","0.003","10.426","0.002","16.112","0.004","90","","112.065","0.014","90","","2223.1","0.9","240","0.2","240","0.2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Tetrakis(dimethylsulphoxide-κ-O)copper(II) bis(perchlorate)","","- C8 H24 Cl2 Cu O12 S4 -","- C8 H24 Cl2 Cu O12 S4 -","- C32 H96 Cl8 Cu4 O48 S16 -","4","1","KH1069","Blake, A. J.; Grimditch, R. S.; Parsons, S.; Schröder, M.","Tetrakis(dimethyl sulfoxide-<i>O</i>)copper(II) Bis(perchlorate)","Acta Crystallographica Section C","1996","52","3","514","516","10.1107/S0108270195013795","","","0.71073","MoKα","","0.1548","0.0649","","0.1349","0.106","","","","0.977","1.119","1.119","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004637","6.835","0.001","6.995","0.002","8.54","0.001","86.77","0.005","88.663","0.008","84.456","0.013","405.68","0.14","150","1","150","1","","","","","","","","3","P -1","-P 1","2","β-methyl tricarballylic acid","2-methyl propane-1,2,3-tricarboxylic acid","","- C7 H10 O6 -","- C7 H10 O6 -","- C14 H20 O12 -","2","1","LI1138","Barnes, H. A.; Barnes, J. C.","Hydrogen Bonding in 2-Methyl-1,2,3-propanetricarboxylic Acid, Ammonium Dihydrogen 1,2,3-Propanetricarboxylate Hemihydrate and Tetraammonium 1,2,3,4-Butanetetracarboxylate Monohydrate","Acta Crystallographica Section C","1996","52","3","731","736","10.1107/S0108270195013527","","","0.71069","MoKα","","0.0505","0.036","","0.117","0.0896","","","","0.408","0.404","0.404","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004638","30.9331","0.0012","7.8035","0.0014","7.4103","0.0003","90","","93.565","0.004","90","","1785.3","0.3","150","1","150","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","ammonium tricarballylate hydrate (1:1:0.5)","propane-1,2,3-tricarboxylic acid, mono-ammonium salt hemi-hydrate","","- C6 H12 N O6.5 -","- C6 H11.49 N O6.5 -","- C48 H91.92 N8 O52 -","8","1","LI1138","Barnes, H. A.; Barnes, J. C.","Hydrogen Bonding in 2-Methyl-1,2,3-propanetricarboxylic Acid, Ammonium Dihydrogen 1,2,3-Propanetricarboxylate Hemihydrate and Tetraammonium 1,2,3,4-Butanetetracarboxylate Monohydrate","Acta Crystallographica Section C","1996","52","3","731","736","10.1107/S0108270195013527","","","0.71069","MoKα","","0.0589","0.04","","0.1","0.0866","","","","0.889","1.038","1.038","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004639","7.8714","0.0007","8.602","0.002","12.043","0.002","94.454","0.008","108.24","0.02","94.402","0.011","767.7","0.2","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","1,2,3,4-butanetetracarboxylic acid, tetra-ammonium salt, monohydrate","","- C8 H24 N4 O9 -","- C8 H24 N4 O9 -","- C16 H48 N8 O18 -","2","1","LI1138","Barnes, H. A.; Barnes, J. C.","Hydrogen Bonding in 2-Methyl-1,2,3-propanetricarboxylic Acid, Ammonium Dihydrogen 1,2,3-Propanetricarboxylate Hemihydrate and Tetraammonium 1,2,3,4-Butanetetracarboxylate Monohydrate","Acta Crystallographica Section C","1996","52","3","731","736","10.1107/S0108270195013527","","","0.71069","MoKα","","0.0489","0.035","","0.12","0.0906","","","","0.368","0.35","0.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004640","6.1621","0.0009","15.731","0.004","13.708","0.004","90","","102.07","0.02","90","","1299.4","0.5","294","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-diacetyl-1,4-dihydro-4-phenylpyridine","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","LI1140","Beddoes, R. L.; Arshad, N.; Joule, J. A.","The Zinc‒Acetic Anhydride Reduction of Pyridines","Acta Crystallographica Section C","1996","52","3","654","656","10.1107/S0108270195013539","","","1.5418","CuKα","","","0.066","","","0.083","","","","","2.32","2.32","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004641","8.725","0.002","7.891","0.003","19.127","0.003","90","","100.03","0.03","90","","1296.7","0.6","296","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 Au Br N3 P -","- C9 H12 Au Br N3 P -","- C36 H48 Au4 Br4 N12 P4 -","4","1","MU1183","Al-Arfaj, A. R.; Hussain, M. S.; Isab, A. A.; Akhtar, M. N.","Bromo[tris(2-cyanoethyl)phosphine]gold(I), [(CEP)AuBr]","Acta Crystallographica Section C","1996","52","3","550","553","10.1107/S0108270195009814","","","0.71073","MoKα","","","0.0384","","","0.0421","","","","","1.001","1.001","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004642","9.334","0.008","11.112","0.005","14.526","0.009","90","","98.14","0.07","90","","1491.4","1.7","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H16 N2 Ni S5 -","- C9 H16 N2 Ni S5 -","- C36 H64 N8 Ni4 S20 -","4","1","MU1191","Sheng, T.; Wu, X.; Huang, Q.; Wang, Q.","(2-Thioxo-1,3-dithiole-4,5-dithiolato)(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine)nickel(II)","Acta Crystallographica Section C","1996","52","3","539","541","10.1107/S0108270195009826","","","0.71069","MoKα","","","0.054","","","0.063","","","","","1.14","1.14","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004643","13.866","0.002","14.0228","0.0008","15.316","0.001","100.16","0.006","97.712","0.009","104.641","0.007","2785.7","0.5","293","","293","","","","","","","","","4","P -1","-P 1","2","","1,1'-bis(octamethylferrocenium-yl)methyl ferrocene tetracyanoethenide pentacyanopropenide","","- C62 H62 Fe3 N9 -","- C62 H62 Fe3 N9 -","- C124 H124 Fe6 N18 -","2","1","MU1195","Barlow, S.; O'Hare, D.","[{(C~5~Me~4~H)Fe(C~5~Me~4~)CH~2~C~5~H~4~}~2~Fe]^2+^.[C~2~(CN)~4~]^{-^}.[C~3~(CN)~5~]^{-^}","Acta Crystallographica Section C","1996","52","3","578","581","10.1107/S010827019500984X","","","0.71073","MolybdenumKα","","","0.051","","","0.06","","","","","1.129","1.129","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004644","6.442","0.003","8.23","0.001","10.631","0.003","106.94","0.02","98.28","0.03","106.12","0.03","502.2","0.3","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H26 Ni O2 S4 -","- C16 H26 Ni O2 S4 -","- C16 H26 Ni O2 S4 -","1","0.5","MU1211","Xiong, R.-G.; Liu, C.-M.; Li, H.-Z.; You, X.-Z.; Huang, X.-Y.","Bis[<i>O</i>-(4-methylcyclohexyl) dithiocarbonato-<i>S</i>,<i>S</i>']nickel(II)","Acta Crystallographica Section C","1996","52","3","519","521","10.1107/S010827019501078X","","","0.71073","MoKα","","","0.036","","","0.047","","","","","1.35","1.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004645","10.682","0.002","12.742","0.002","15.508","0.004","90","","103.51","0.01","90","","2052.4","0.7","296","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 Ni O3 S4 -","- C17 H16 N2 Ni O3 S4 -","- C68 H64 N8 Ni4 O12 S16 -","4","1","MU1213","Xiong, R.-G.; Zuo, J.-L.; Xu, E.-J.; You, X.-Z.; Huang, X.-Y.","(4,5-Diazafluoren-9-one-<i>N</i>^4^,<i>N</i>^5^)bis(<i>O</i>-ethyl dithiocarbonato-<i>S</i>,<i>S</i>')nickel(II)","Acta Crystallographica Section C","1996","52","3","521","523","10.1107/S0108270195010791","","","0.71073","MoKα","","","0.029","","","0.045","","","","","1.43","1.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004646","17.344","0.005","8.336","0.005","18.206","0.004","90","","117.63","0.01","90","","2332","1.6","296","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 Ni O2 S4 -","- C20 H22 N2 Ni O2 S4 -","- C80 H88 N8 Ni4 O8 S16 -","4","1","MU1214","Guo, Y.-H.; Xue, Y.-Q.; Xiong, R.-G.; Zuo, J.-L.; You, X.-Z.; Huang, X.-Y.","(2,9-Dimethyl-1,10-phenanthroline-<i>N</i>^1^,<i>N</i>^10^)bis(<i>O</i>-ethyl dithiocarbonato-<i>S</i>,<i>S</i>')nickel(II)","Acta Crystallographica Section C","1996","52","3","523","525","10.1107/S0108270195010808","","","0.71073","MoKα","","","0.053","","","0.069","","","","","1.78","1.78","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004647","23.6801","0.0009","12.9415","0.0009","7.8455","0.0005","90","","106.069","0.004","90","","2310.4","0.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Diaqua[2,6-diacetylpyridine bis(thiosemicarbazone)]manganese(II) Diperchlorate","","- C11 H19 Cl2 Mn N7 O10 S2 -","- C11 H19 Cl2 Mn N7 O10 S2 -","- C44 H76 Cl8 Mn4 N28 O40 S8 -","4","0.5","MU1217","Othman, A. H.; Lee, K.-L.; Fun, H.-K.; Yip, B.-C.","Diaqua[2,6-diacetylpyridine bis(thiosemicarbazone)]manganese(II) Diperchlorate","Acta Crystallographica Section C","1996","52","3","602","605","10.1107/S0108270195012145","","","0.71073","MoKα","","0.0579","0.0531","","0.1552","0.1516","","","","1.064","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004648","13.226","0.002","13.23","0.002","14.908","0.003","87.63","0.01","78.64","0.02","66.76","0.01","2348.1","0.7","293","","293","","","","","","","","","7","P -1","-P 1","2","Bromo-bis(triphenylphosphine-P})-(N,N-dibutyl-N'-phenylthiourea-S) copper(I)","Bromobis(triphenylphosphine-P})-(N,N-dibutyl-N'-phenylthiourea-S) copper(I)","","- C51 H54 Br Cu N2 P2 S -","- C51 H54 Br Cu N2 P2 S -","- C102 H108 Br2 Cu2 N4 P4 S2 -","2","1","NA1183","Singh, R.; Dikshit, S. K.","Bromo(<i>N</i>,<i>N</i>-dibutyl-<i>N</i>'-phenylthiourea-<i>S</i>)bis(triphenylphosphine-<i>P</i>)copper(I), [Cu(PPh~3~)~2~(dbptH)Br]","Acta Crystallographica Section C","1996","52","3","635","637","10.1107/S0108270195006500","","","0.71073","MoKα","","0.072","0.037","","0.034","0.032","","","","1.854","2.225","2.225","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004649","6.178","0.001","13.787","0.002","24.819","0.006","90","","90","","90","","2114","0.7","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,8-Dimethyl-2-[(3-furoyl)aminomethyl]-5-phenyl- 2,3-dihydro-1H-1,4-benzodiazepin-4-ium Chloride","","- C23 H24 Cl N3 O2 -","- C23 H24 Cl N3 O2 -","- C92 H96 Cl4 N12 O8 -","4","1","NA1198","Blaton, N. M.; Peeters, O. M.; Meurisse, R. L.; De Ranter, C. J.","2-[(3-Furoyl)aminomethyl]-1,7-dimethyl-5-phenyl-2,3-dihydro-1<i>H</i>-1,4-benzodiazepin-4-ium Chloride","Acta Crystallographica Section C","1996","52","3","691","692","10.1107/S0108270195012893","","","0.71073","MoKα","","0.0824","0.0407","","0.1109","0.1109","","","","1.03","1.03","1.03","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004650","31.328","0.002","7.236","0.001","13.216","0.002","90","","97.8","0.1","90","","2968.2","1","295","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 Cl2 Cu N6 O2 -","- C10 H14 Cl2 Cu N6 O2 -","- C80 H112 Cl16 Cu8 N48 O16 -","8","1","NA1199","Valle, G.; Ettorre, R.; Peruzzo, V.","Dichlorobis(1-methylcytosine)copper(II)","Acta Crystallographica Section C","1996","52","3","626","628","10.1107/S0108270195013382","","","0.7107","MoKα","","","0.049","","","0.054","","","","","1.14","1.14","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004651","14.342","0.001","7.799","0.0008","21.592","0.002","90","0","91.6","0.01","90","0","2414.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tricarbonyl(η^6^-1-tetralol)chromium","","- C13 H12 Cr O4 -","- C13 H12 Cr O4 -","- C104 H96 Cr8 O32 -","8","2","NA1200","Sardone, N.; Seresini, P.; Zecchi, G.","Tricarbonyl(η^6^-1-tetralol)chromium","Acta Crystallographica Section C","1996","52","3","613","615","10.1107/S0108270195012856","","","1.54184","CuKα","","0.04","0.034","","","0.034","","","","","1.07","1.07","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2004652","12.0135","0.0007","4.339","0.002","6.5864","0.0004","90","","90","","90","","343.33","0.16","293","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- B2 O4 Sr -","- B2 O4 Sr -","- B8 O16 Sr4 -","4","0.5","OH1085","Kim, J.-B.; Lee, K.-S.; Suh, I.-H.; Lee, J.-H.; Park, J.-R.; Shin, Y.-H.","Strontium Metaborate, SrB~2~O~4~","Acta Crystallographica Section C","1996","52","3","498","500","10.1107/S0108270195010341","","","0.71073","MoKα","","","0.0504","","","0.0551","","","","","1.5271","1.5271","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004653","10.186","0.004","23.842","0.004","6.62","0.003","90","","90","","90","","1607.7","1","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Sodium (ethylenediaminetetraacetato)gallate(III) trihydrate","","- C10 H18 Ga N2 Na O11 -","- C10 Ga N2 Na O11 -","- C40 Ga4 N8 Na4 O44 -","4","1","OH1086","Nakamura, K.; Kurisaki, T.; Wakita, H.; Yamaguchi, T.","Sodium (Ethylenediaminetetraacetato)gallate(III) Trihydrate","Acta Crystallographica Section C","1996","52","3","573","575","10.1107/S0108270195012017","","","0.7107","MoKα","","","0.055","","","0.063","","","","","2.78","2.78","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004654","6.299","0.001","9.432","0.003","6.967","0.002","90","","90","","90","","413.92","0.19","293","1","293","1","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- Cl Cu3 Er O8 Se2 -","- Cl Cu3 Er O8 Se2 -","- Cl2 Cu6 Er2 O16 Se4 -","2","0.25","OH1088","Berrigan, R.; Gatehouse, B. M.","Cu~3~Er(SeO~3~)~2~O~2~Cl, the Erbium Analogue of Francisite","Acta Crystallographica Section C","1996","52","3","496","497","10.1107/S0108270195014120","","","0.71073","MoKα","","","0.034","","","0.039","","","","","0.98","0.98","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004655","10.169","0.003","8.748","0.002","15.254","0.005","104.45","0.05","97.4","0.05","109.22","0.05","1207.3","0.9","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H32 N4 O2 -","- C27 H32 N4 O2 -","- C54 H64 N8 O4 -","2","1","PA1199","Pierrot, M.; Giorgi, M.; El Messaoudi, M.; Hasnaoui, A.; El Aatmani, M.; Lavergne, J. P.","3,12-Dimesityl-6,8-dimethyl-5,10-dioxa-1,2,4,11-tetraazatricyclo[7.3.1.0^2,6^]trideca-3,7,11-triene and 3,12-Dimesityl-6,8,13-trimethyl-5,10-dioxa-1,2,4,11-tetraazatricyclo[7.3.1.0^2,6^]trideca-3,7,11-triene","Acta Crystallographica Section C","1996","52","3","736","739","10.1107/S0108270195013126","","","0.71073","MoKα","","","0.041","","","0.054","","","","","1.84","1.84","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004656","9.894","0.003","9.908","0.003","14.78","0.005","105.29","0.05","94.07","0.05","112.2","0.05","1270.2","1","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H34 N4 O2 -","- C28 H34 N4 O2 -","- C56 H68 N8 O4 -","2","1","PA1199","Pierrot, M.; Giorgi, M.; El Messaoudi, M.; Hasnaoui, A.; El Aatmani, M.; Lavergne, J. P.","3,12-Dimesityl-6,8-dimethyl-5,10-dioxa-1,2,4,11-tetraazatricyclo[7.3.1.0^2,6^]trideca-3,7,11-triene and 3,12-Dimesityl-6,8,13-trimethyl-5,10-dioxa-1,2,4,11-tetraazatricyclo[7.3.1.0^2,6^]trideca-3,7,11-triene","Acta Crystallographica Section C","1996","52","3","736","739","10.1107/S0108270195013126","","","0.71073","MoKα","","","0.04","","","0.053","","","","","1.85","1.85","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004657","6.966","0.004","8.993","0.004","10.932","0.004","96.03","0.15","104.12","0.16","104.84","0.16","631.7","1","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 Cr O5 -","- C13 H10 Cr O5 -","- C26 H20 Cr2 O10 -","2","1","PA1203","Lamiot, J.; Baert, F.; Brocard, J.; Goetgheluck, S.","Tricarbonyl(η^6^-3-methyl-2-vinylbenzoic acid)chromium","Acta Crystallographica Section C","1996","52","3","595","597","10.1107/S0108270195013114","","","0.71073","MoKα","","","0.0474","","","0.0479","","","","","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004658","12.391","0.004","13.403","0.004","8.849","0.003","98.35","0.02","89.96","0.02","62.55","0.02","1286.5","0.8","173","","","","","","","","","","","8","P -1","-P 1","2","","","","- C17 H18 Cl2 Cu F6 N2 O6 S3 -","- C17 H18 Cl2 Cu F6 N2 O6 S3 -","- C34 H36 Cl4 Cu2 F12 N4 O12 S6 -","2","1","PA1205","Diebold, A.; Kyritsakas, N.; Fischer, J.; Weiss, R.","A Bis(6-methyl-2-pyridylmethyl) Thioether (DMPT) Copper(II) Complex, [Cu(OSO~2~CF~3~)~2~(C~14~H~16~N~2~S)].CH~2~Cl~2~","Acta Crystallographica Section C","1996","52","3","632","634","10.1107/S0108270195012649","","","1.54184","CuKα","","","0.037","","","0.06","","","","","1.364","1.364","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004659","23.85","0.02","6.08","0.01","12.14","0.02","90","","90","","90","","1760","4","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 F6 O4 -","- C17 H14 F6 O4 -","- C68 H56 F24 O16 -","4","1","PA1209","Hamzaoui, F.; Baert, F.","A New Pyrethroid Insecticide, RU41414","Acta Crystallographica Section C","1996","52","3","689","690","10.1107/S0108270195013102","","","0.71073","MoKα","","","0.05","","","0.05","","","","","1.07","1.07","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2004660","14.63","0.004","12.616","0.003","11.709","0.003","90","","90","","90","","2161.2","1","295","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H13 Cl O Ti -","- C11 H13 Cl O Ti -","- C88 H104 Cl8 O8 Ti8 -","8","1","SX1010","Gibson, D. H.; Ding, Y.; Mashuta, M. S.; Richardson, J. F.","Chlorobis(η^5^-cyclopentadienyl)methoxytitanium","Acta Crystallographica Section C","1996","52","3","559","560","10.1107/S0108270195012297","","","0.71073","MoKα","","","0.039","","","0.04","","","","","2.13","2.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004661","6.629","0.001","7.908","0.001","12.985","0.001","82.556","0.008","76.504","0.009","67.621","0.007","611.43","0.13","297","","","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C30 H32 O6 -","2","1","SZ1015","Cote, M. L.; Thompson, H. W.; Lalancette, R. A.","Hydrogen-Bonding Pattern of a β-Keto Acid: (±)-10-oxo-3,4-benzobicyclo[4.3.1]dec-3-ene-1-carboxylic Acid","Acta Crystallographica Section C","1996","52","3","684","687","10.1107/S0108270195012303","","","0.71073","MoKα","","","0.045","","","0.0581","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004662","7.668","0.002","8.997","0.001","9.01","0.002","115.75","0.02","91.32","0.02","97.45","0.02","552.9","0.2","296","","","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H15 O4 P -","- C8 H15 O4 P -","- C16 H30 O8 P2 -","2","1","SZ1035","Sanders, T. C.; Hammond, G. B.; Golen, J. A.; Williard, P. G.","Diethyl (1-Hydroxy-2-butynyl)phosphonate","Acta Crystallographica Section C","1996","52","3","667","669","10.1107/S0108270195012315","","","0.71073","MoKα","","","0.075","","","0.089","","","","","1.76","1.76","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004663","8.758","0.002","10.01","0.004","28.466","0.006","90","0.02","90","0.02","90","0.02","2495.5","1.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 O6 -","- C27 H40 O6 -","- C108 H160 O24 -","4","1","TA1034","Cambie, R. C.; Lal, A. R.; Rickard, C. E. F.","A Sesterterpene Lactone from <i>Petrosaspongia nigra</i> sp. nov.","Acta Crystallographica Section C","1996","52","3","709","711","10.1107/S0108270195010857","","","0.71069","MoKα","","0.0984","0.0564","","0.2345","0.1183","","","","1.102","1.103","1.103","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004664","12.141","0.002","12.01","0.001","19.248","0.002","90","","97.03","0.01","90","","2785.5","0.6","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(2-aminoethyl)-N,N'-bis(2-ammonioethyl)ethylenediamineplatinum(II) bis(tetrachloroplatinate) trihydrate","","- C10 H36 Cl8 N6 O3 Pt3 -","- C10 H30 Cl8 N6 O3 Pt3 -","- C40 H120 Cl32 N24 O12 Pt12 -","4","1","TA1044","Sakai, K.; Tanaka, Y.; Tsubomura, T.","[<i>N</i>,<i>N</i>'-Bis(2-aminoethyl-κ<i>N</i>)-<i>N</i>,<i>N</i>'-bis(2-ammonioethyl)ethylenediamine-κ^2^<i>N</i>,<i>N</i>']platinum(II) Bis(tetrachloroplatinate) Trihydrate","Acta Crystallographica Section C","1996","52","3","541","543","10.1107/S0108270195011413","","","0.71069","MoKα","","","0.0669","","","0.0443","","","","","1.51","1.51","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004665","17.578","0.003","9.909","0.004","22.945","0.004","90","","90","","90","","3996.6","1.9","296","1","296","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H20 Cl Ni P -","- C23 H20 Cl Ni P -","- C184 H160 Cl8 Ni8 P8 -","8","1","TA1050","Hockless, D. C. R.; Whittall, I. R.; Humphrey, M. G.","Chloro(η^5^-cyclopentadienyl)(triphenylphosphine)nickel(II)","Acta Crystallographica Section C","1996","52","3","535","537","10.1107/S0108270195011103","","","0.7107","MoKα","","","0.0323","","","0.021","","","","","1.728","1.728","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004666","12.575","0.002","14.454","0.003","18.365","0.004","90","","90","","90","","3338","1.1","293","","293.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H34 F6 Fe P4 -","- C33 H34 F6 Fe P4 -","- C132 H136 F24 Fe4 P16 -","4","1","TA1051","Pabel, M.; Willis, A. C.; Wild, S. B.","[<i>R</i>-(<i>R</i>*,<i>R</i>*)]-(η^5^-Cyclopentadienyl)[1,2-phenylenebis(methylphenylphosphine-<i>P</i>)](1-phenylphosphirane-<i>P</i>)iron(II) Hexafluorophosphate","Acta Crystallographica Section C","1996","52","3","557","559","10.1107/S0108270195011784","","","0.7107","MoKα","","","0.056","","","0.032","","","","","1.96","1.96","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004667","7.089","0.003","13.781","0.001","10.141","0.003","90","","91.39","0.03","90","","990.4","0.5","213","1","213","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 N2 Pt S4 -","- C16 H28 N2 Pt S4 -","- C32 H56 N4 Pt2 S8 -","2","0.5","TA1052","Heath, G. A.; Hockless, D. C. R.; Prenzler, P. D.","Bis(<i>N</i>,<i>N</i>-<i>cyclo</i>-heptamethylenedithiocarbamato-<i>S</i>,<i>S</i>')platinum(II), a Platinum Dithiocarbamate Containing a Large Carbocyclic Ring","Acta Crystallographica Section C","1996","52","3","537","539","10.1107/S0108270195011383","","","0.7107","MoKα","","","0.035","","","0.047","","","","","2.82","2.82","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004668","7.025","0.0014","8.408","0.002","21.89","0.004","90","","97.89","0.03","90","","1280.7","0.5","150","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","monophenyl carborane","1-Phenyl-1,2-dicarba-closo-dodecaborane","","- C8 H16 B10 -","- C8 H16 B10 -","- C32 H64 B40 -","4","1","AB1287","Thomas, R. Ll.; Rosair, G. M.; Welch, A. J.","A New Crystalline Form of 1-Phenyl-1,2-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","1996","52","4","1024","1026","10.1107/S010827019501198X","","","0.71073","MoKα","","0.0632","0.0544","","0.1431","0.1362","","","","1.031","1.072","1.072","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2004669","8.289","0.005","6.312","0.004","11.786","0.004","90","","93.19","0.03","90","","615.7","0.6","295","1","295","1","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C18 H12 -","- C18 H12 -","- C36 H24 -","2","0.5","AB1295","Capparelli, M. V.; Machado, R.; De Sanctis, Y.; Arce, A. J.","<i>trans</i>-1,1'-Bis(indenylidene)","Acta Crystallographica Section C","1996","52","4","947","949","10.1107/S0108270195014600","","","0.71069","MoKα","","","0.0421","","","0.0428","","","","","2.908","2.908","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004670","10.89","0.001","17.714","0.003","8.94","0.001","97.24","0.01","105.824","0.008","93.82","0.01","1636.8","0.4","243","2","243","2","","","","","","","","6","P 1","P 1","1","","(S)-(+)-[(benzyloxymethyl)(tert-butyl)methylsilyl] methyl ketone 2,4,6- triisopropylphenylsulfonylhydrazone","","- C30 H48 N2 O3 S Si -","- C30 H48 N2 O3 S Si -","- C60 H96 N4 O6 S2 Si2 -","2","2","AB1320","Bratovanov, S.; Linden, A.; Bienz, S.","Absolute Configuration of (<i>S</i>)-(+)-[(Benzyloxymethyl)(<i>tert</i>-butyl)methylsilyl] Methyl Ketone","Acta Crystallographica Section C","1996","52","4","1045","1047","10.1107/S0108270195014338","","","0.71073","MoKα","","0.0853","0.0501","","0.1446","0.127","","","","1.012","1.046","1.046","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004671","7.133","0.001","13.206","0.001","20.355","0.005","90","","90","","90","","1917.4","0.6","294","1","294","1","","","","","","","","4","P c a b","-P 2bc 2ac","61","","N,N-Dimethyl-2,4-dinitroaniline","","- C8 H9 N3 O4 -","- C8 H9 N3 O4 -","- C64 H72 N24 O32 -","8","1","AB1321","Low, J. N.; Doidge-Harrison, S. M. S. V.; Cobo, J.","<i>N</i>,<i>N</i>-Dimethyl-2,4-dinitroaniline","Acta Crystallographica Section C","1996","52","4","964","966","10.1107/S0108270195014612","","","0.7107","MolybdenumKα","","0.1113","0.0464","","0.1099","0.0986","","","","0.799","1.146","1.146","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004672","25.303","0.003","9.953","0.004","25.071","0.003","90","","112.08","0.01","90","","5851","3","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2,2'-bipyridyl)(methyl)(phenyl)palladium(II)","","- C17 H16 N2 Pd -","- C17 H16 N2 Pd -","- C272 H256 N32 Pd16 -","16","4","AB1331","Spek, A. L.; Janssen, M. D.; Markies, B. A.; van Koten, G.","A Second Polymorph of 2,2'-Bipyridyl(methyl)(phenyl)palladium(II)","Acta Crystallographica Section C","1996","52","4","868","871","10.1107/S0108270195014909","","","0.71073","MoKα","","","0.069","","","0.19","","","","","1.023","1.023","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004673","22.264","0.004","14.249","0.004","22.004","0.003","90","","93.562","0.015","90","","6967","3","294","1","294","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis[μ-bis(diphenylphosphino)hexane-P,P']digold(I) hexafluoroantimonate acetonitrile solvate","","- C63.2 H68.8 Au2 F12 N1.6 P4 Sb2 -","- C60 H64 Au2 F12 P4 Sb2 -","- C240 H256 Au8 F48 P16 Sb8 -","4","0.5","AB1344","Ferguson, G.; Gabe, E. J.; Spalding, T. R.; Kelleher, A.-M.","Bis[μ-bis(diphenylphosphino)hexane-<i>P</i>:<i>P</i>']digold(I) Hexafluoroantimonate Acetonitrile Solvate","Acta Crystallographica Section C","1996","52","4","768","770","10.1107/S0108270196000996","","","0.7107","MolybdenumKα","","0.0798","0.0372","","0.0982","0.0891","","","","0.985","1.144","1.144","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004674","9.9005","0.0008","10.5082","0.0012","11.314","0.002","62.779","0.014","72.583","0.011","88.966","0.008","988.9","0.3","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","trans-bis(tricyclohexylphosphine)tetracarbonylmolybdenum(0)","","- C40 H66 Mo O4 P2 -","- C40 H66 Mo O4 P2 -","- C40 H66 Mo O4 P2 -","1","0.5","AB1347","Alyea, E. C.; Ferguson, G.; Kannan, S.","<i>trans</i>-Tetracarbonylbis(tricyclohexylphosphine)molybdenum(0), <i>trans</i>-[Mo(CO)~4~(PCy~3~)~2~]","Acta Crystallographica Section C","1996","52","4","765","767","10.1107/S010827019600100X","","","0.7107","MolybdenumKα","","0.0844","0.0411","","0.0925","0.0841","","","","0.962","1.091","1.091","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004675","9.498","0.002","14.443","0.003","20.318","0.004","78.56","0.03","85.43","0.03","88.77","0.03","2723.1","1","298","","","","","","","","","","","3","P -1","-P 1","2","","","","- C37 H26 O2 -","- C37 H26 O2 -","- C148 H104 O8 -","4","2","AS1145","Mathew, T.; Kumar, S. A.; Das, S.; Rath, N. P.; George, M. V.","A Photoproduct Derived from 9-Benzyl-Substituted Dibenzobarrelene","Acta Crystallographica Section C","1996","52","4","942","944","10.1107/S0108270195013667","","","1.54178","CuKα","","","0.0571","","","0.0796","","","","","1.01","1.01","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004676","7.424","0.001","7.325","0.001","13.959","0.001","78.67","0.01","75.15","0.01","63.98","0.01","656.28","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 N4 O S -","- C15 H12 N4 O S -","- C30 H24 N8 O2 S2 -","2","1","AS1188","Song, C. E.; Jin, B. W.; Jeong, J. H.","3-(6-Methoxy-2-benzimidazolyl)benzothiazolin-2-imine","Acta Crystallographica Section C","1996","52","4","962","964","10.1107/S0108270195013357","","","0.71073","MoKα","","0.0388","0.0376","","0.1006","0.0996","","","","1.099","1.108","1.108","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004677","10.246","0.002","14.487","0.002","4.2536","0.0005","90","","90.23","0.01","90","","631.37","0.17","293","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C12 H8 B2 I2 -","- C12 H8 B2 I2 -","- C24 H16 B4 I4 -","2","0.25","AS1194","Akutsu, H.; Kozawa, K.; Uchida, T.","5,10-Diiodo-5,10-dihydroboranthrene","Acta Crystallographica Section C","1996","52","4","991","993","10.1107/S0108270195010742","","","0.71073","MoKα","","","0.054","","","0.039","","","","","1.53","1.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004678","27.638","0.002","11.938","0.003","16.433","0.002","90","","120.208","0.006","90","","4685.7","1.4","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(μ~3~-oxo-O,O,O)-heptakis(μ~2~-acetato-O,O')-bis(2,2'-bipyridine) tetramanganese(III) perchlorate","","- C34 H37 Cl Mn4 N4 O20 -","- C33 H37 Cl Mn4 N4 O20 -","- C132 H148 Cl4 Mn16 N16 O80 -","4","0.5","AS1198","Tamane, T.; Tsubomura, T.; Sakai, K.","[Mn~4~^III^(μ~3~-O)~2~(μ-O~2~CMe)~7~(2,2'-bipyridine)~2~]ClO~4~","Acta Crystallographica Section C","1996","52","4","777","779","10.1107/S0108270195013333","","","0.71069","MoKα","","","0.0752","","","0.066","","","","","3.33","3.33","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004679","8.27","0.002","9.361","0.002","10.689","0.002","113.88","0.01","98.81","0.02","105.94","0.01","693.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1'-(dithiodicarbonothioyl)bispyrrolidine.","","- C10 H16 N2 S4 -","- C10 H16 N2 S4 -","- C20 H32 N4 S8 -","2","1","AS1200","Yamin, B. M.; Suwandi, S. A.; Fun, H.-K.; Sivakumar, K.; Shawkataly, O. B.","Triclinic Form of Dipyrrolidinylthiuram Disulfide","Acta Crystallographica Section C","1996","52","4","951","953","10.1107/S0108270195013059","","","0.71073","MoKα","","0.0755","0.043","","0.1146","0.1044","","","","0.869","1.049","1.049","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004680","8.826","0.001","9.464","0.001","35.02","0.004","90","","90","","90","","2925.2","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Gly-Gly-(L)-Phe-(D)-Leu-OMe dihydrate","","","- C25 H42 N4 O9 -","- C25 H42 N4 O9 -","- C100 H168 N16 O36 -","4","1","AS1206","Fenude, E.; Casalone, G.","Three Protected Tetrapeptides","Acta Crystallographica Section C","1996","52","4","973","978","10.1107/S0108270195013345","","","0.71073","MoKα","","0.0841","0.0477","","0.1071","0.0922","","","","1.055","1.103","1.103","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004681","8.919","0.002","9.353","0.001","35.408","0.004","90","","90","","90","","2953.7","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Boc-Gly-Gly-(L)-Phe-(D)-Met-OMe dihydrate","","","- C24 H40 N4 O9 S -","- C24 H40 N4 O9 S -","- C96 H160 N16 O36 S4 -","4","1","AS1206","Fenude, E.; Casalone, G.","Three Protected Tetrapeptides","Acta Crystallographica Section C","1996","52","4","973","978","10.1107/S0108270195013345","","","0.71073","MoKα","","0.0762","0.0507","","0.1316","0.116","","","","1.006","1.033","1.033","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004682","8.879","0.001","9.344","0.001","35.674","0.004","90","","90","","90","","2959.7","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Gly-Gly-(D)-Phe-(L)-Nle-OMe dihydrate","","","- C25 H42 N4 O9 -","- C25 H42 N4 O9 -","- C100 H168 N16 O36 -","4","1","AS1206","Fenude, E.; Casalone, G.","Three Protected Tetrapeptides","Acta Crystallographica Section C","1996","52","4","973","978","10.1107/S0108270195013345","","","0.71073","MoKα","","0.0808","0.0455","","0.1043","0.0917","","","","1.018","1.094","1.094","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004683","11.323","0.002","17.602","0.004","9.852","0.002","90","","101.94","0.02","90","","1921.1","0.7","298","","","","","","","","","","","3","P 1 21/m 1","","","","","","- C75 H14 O2 -","- C72.5 H14 O2 -","- C145 H28 O4 -","2","0.5","AS1208","Tezuka, Y.; Kawasaki, N.; Yajima, H.; Ishii, T.; Oyama, T.; Takeuchi, K.; Nakao, A.; Katayama, C.","Bis(4-methoxyphenyl)methano[60]fullerene with a Methano Bridge at the 6‒6-Ring Junction","Acta Crystallographica Section C","1996","52","4","1008","1010","10.1107/S0108270195013096","","","0.71073","MoKα","","","0.041","","","0.038","","","","","0.756","0.756","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004684","8.759","0.001","11.745","0.003","7.322","0.001","91.54","0.02","111.07","0.01","82","0.02","695.8","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 O4 S3 -","- C12 H14 O4 S3 -","- C24 H28 O8 S6 -","2","1","AS1212","Parvez, M.; Mesher, S. T. E.; Clark, P. D.","2,3-Bis(ethylsulfonyl)benzo[<i>b</i>]thiophene","Acta Crystallographica Section C","1996","52","4","905","907","10.1107/S0108270195013369","","","0.71069","MoKα","","","0.0375","","","0.0383","","","","","2.081","2.081","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004685","6.959","0.001","10.778","0.002","9.489","0.002","90","","109.28","0.02","90","","671.8","0.2","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H8 N6 O3 -","- C2 H8 N6 O3 -","- C8 H32 N24 O12 -","4","1","BK1041","Martin, A.; Pinkerton, A. A.; Schiemann, A.","Energetic Materials: the Biguanidium Nitrates","Acta Crystallographica Section C","1996","52","4","966","970","10.1107/S0108270195012200","","","0.71073","MoKα","","0.046","0.046","","","0.048","","","","","1.42","1.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004686","14.0232","0.0008","6.8842","0.0005","8.9541","0.0005","90","","90","","90","","864.42","0.09","193","","193","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C2 H9 N7 O6 -","- C2 H9 N7 O6 -","- C8 H36 N28 O24 -","4","1","BK1041","Martin, A.; Pinkerton, A. A.; Schiemann, A.","Energetic Materials: the Biguanidium Nitrates","Acta Crystallographica Section C","1996","52","4","966","970","10.1107/S0108270195012200","","","0.71073","MoKα","","0.033","0.027","","","0.037","","","","","0.854","0.854","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004687","7.409","0.001","7.619","0.001","9.843","0.001","82.02","0.01","83.2","0.01","69.92","0.01","515.3","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C2 H9 Cl2 N5 O8 -","- C2 H9 Cl2 N5 O8 -","- C4 H18 Cl4 N10 O16 -","2","1","BK1092","Martin, A.; Pinkerton, A. A.","Two Energetic Ionic Materials: the Biguanidium Perchlorates","Acta Crystallographica Section C","1996","52","4","1048","1052","10.1107/S0108270195014624","","","0.71073","MoKα","","0.042","0.03","","","0.035","","","","","3.205","3.205","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004688","7.7421","0.0009","9.874","0.002","12.267","0.002","112.75","0.01","91.89","0.01","111.91","0.01","784.9","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C2 H8 Cl N5 O4 -","- C2 H8 Cl1.5 N5 O6 -","- C8 H32 Cl6 N20 O24 -","4","2","BK1092","Martin, A.; Pinkerton, A. A.","Two Energetic Ionic Materials: the Biguanidium Perchlorates","Acta Crystallographica Section C","1996","52","4","1048","1052","10.1107/S0108270195014624","","","0.71073","MoKα","","0.045","0.036","","","0.047","","","","","2.677","2.677","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004689","6.759","0.002","13.803","0.001","15.124","0.003","90","","109.43","0.01","90","","1330.6","0.5","293","","","","","","","","","","","6","P 1 21/c 1","","","","","","- C12 H10 Cu N3 O5 P -","- C24 H20 Cu2 N6 O10 P2 -","- C48 H40 Cu4 N12 O20 P4 -","2","0.5","BK1160","Parker, O. J.; Harvey, R. M.; Breneman, G. L.","Di-μ-phosphinato-bis[(1,10-phenanthroline)copper(II)] Nitrate, [Cu~2~(H~2~PO~2~)~2~(phen)~2~](NO~3~)~2~","Acta Crystallographica Section C","1996","52","4","871","873","10.1107/S0108270195010675","","","0.71073","MoKα","","","0.029","","","0.054","","","","","2.55","2.55","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004690","9.72","0.004","7.657","0.002","14.708","0.007","90","","103.63","0.04","90","","1063.8","0.7","298","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H38 O4 -","- C22 H38 O4 -","- C44 H76 O8 -","2","1","BK1162","Zhou, L.; Timmermann, B. N.; Grittini, C.; Bruck, M. A.; Enemark, J. H.","Tarapacol 15-Acetate, a New Diterpenoid from <i>Grindelia tarapacana Phil</i>.","Acta Crystallographica Section C","1996","52","4","1042","1044","10.1107/S0108270195013473","","","0.71073","MoKα","","","0.06","","","0.067","","","","","1.92","1.92","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004691","9.527","0.001","10.731","0.001","22.525","0.002","90","","99.63","0.01","90","","2270.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bisdiphenylphosphino methane disulfide","","- C25 H22 P2 S2 -","- C25 H22 P2 S2 -","- C100 H88 P8 S8 -","4","1","BK1168","Carmalt, C. J.; Cowley, A. H.; Decken, A.; Lawson, Y. G.; Norman, N. C.","Bis(diphenylphosphino)methane Disulfide","Acta Crystallographica Section C","1996","52","4","931","933","10.1107/S0108270195013230","","","0.71073","MoKα","","0.0643","0.046","","0.108","0.0927","","","","1.124","1.138","1.138","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004692","14.105","0.004","32.281","0.004","18.473","0.003","90","","107.38","0.01","90","","8027","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","μ-Oxo-bis[(5,10,15,20-tetraphenylporphyrinato)oxomolybdenum(V)]","","- C88.5 H60 Cl Mo2 N8 O4.5 -","- C88.5 H60 Cl Mo2 N8 O4.5 -","- C354 H240 Cl4 Mo8 N32 O18 -","4","1","BK1173","Cheng, B.; Scheidt, W. R.","μ-Oxo-bis[(5,10,15,20-tetraphenylporphyrinato)oxomolybdenum(V)]","Acta Crystallographica Section C","1996","52","4","832","835","10.1107/S0108270195014648","","","0.71073","MoKα","","0.0581","0.0466","","0.1684","0.1421","","","","1.093","1.097","1.097","","","","","has coordinates","202202","2020-10-21","18:00:00",""
"2004693","13.236","0.003","17.146","0.005","20.781","0.006","90","","103.04","0.02","90","","4595","2","296","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H45 N O6 P2 Re2 -","- C51 H45 N O8 P2 Re2 -","- C204 H180 N4 O32 P8 Re8 -","4","1","BK1177","Gibson, D. H.; Bardon, R. F.; Mehta, J. M.; Mashuta, M. S.; Richardson, J. F.","1-Carbonyl-2,2-<i>cis</i>-dicarbonyl-μ-formato-1<i>C</i>:2<i>O</i>,<i>O</i>'-1-nitrosyl-1-(η^5^-pentamethylcyclopentadienyl)-2,2-<i>trans</i>-bis(triphenylphosphine)dirhenium","Acta Crystallographica Section C","1996","52","4","852","854","10.1107/S010827019501376X","","","0.71073","MoKα","","","0.034","","","0.034","","","","","1.59","1.59","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004694","5.8867","0.0008","7.023","0.001","17.9952","0.0007","90","","92.473","0.008","90","","743.27","0.15","294.2","","294.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 N O3 -","- C7 H9 N O3 -","- C28 H36 N4 O12 -","4","1","BK1178","Tzou, J.-R.; Huang, A.; Fleming, F. F.; Norman, R. E.; Chang, S.-C.","1-Cyanomethyl-6,7,8-trioxabicyclo[3.2.1]octane","Acta Crystallographica Section C","1996","52","4","1012","1014","10.1107/S0108270195014004","","","0.7107","MoKα","","","0.037","","","0.0424","","","","","1.913","1.913","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004695","15.683","0.002","8.888","0.002","12.653","0.003","90","","90","","90","","1763.7","0.6","296","","296.2","","","","","","","","","6","P b c n","-P 2n 2ab","60","","Diaquabis(1-H-3-methyl-4-amine-5-thione-1,2,4-triazole)nickel(II) nitrate","","- C6 H16 N10 Ni O8 S2 -","- C6 H16 N10 Ni O8 S2 -","- C24 H64 N40 Ni4 O32 S8 -","4","0.5","BK1184","Sen, A. K.; Dubey, S. N.; Squattrito, P. J.","Diaquabis(4-amino-3-methyl-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione)nickel(II) Nitrate: a Sulfur‒Nitrogen Chelate","Acta Crystallographica Section C","1996","52","4","865","868","10.1107/S010827019501496X","","","0.7107","MoKα","","0.0673","0.035","","0.0355","0.033","","","","","2.166","2.166","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004696","5.564","0.002","5.327","0.002","34.038","0.002","90","","92.81","0.02","90","","1007.7","0.5","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","fluorene-1-carboxylic acid","","","- C14 H10 O2 -","- C14 H10 O2 -","- C56 H40 O8 -","4","1","BK1185","Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.","Fluorene-1-carboxylic Acid","Acta Crystallographica Section C","1996","52","4","907","910","10.1107/S0108270195014971","","","0.71073","MoKα","","","0.054","","","0.066","","","","","2.06","2.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004697","6.0904","0.0009","18.414","0.004","9.94","0.002","90","","96.999","0.012","90","","1106.5","0.4","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 Cl2 O4 Ru -","- C7 H8 Cl2 O4 Ru -","- C28 H32 Cl8 O16 Ru4 -","4","1","BK1187","Gray, G. M.; Duffey, C. H.","<i>fac</i>-Tricarbonyldichloro(tetrahydrofuran)ruthenium(II)","Acta Crystallographica Section C","1996","52","4","861","863","10.1107/S0108270195015174","","","0.71073","MoKα","","","0.039","","","0.048","","","","","1.022","1.022","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004698","13.084","0.003","6.527","0.001","15.397","0.003","90","","104.66","0.02","90","","1272.1","0.4","138","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N O S -","- C14 H19 N O S -","- C56 H76 N4 O4 S4 -","4","1","BK1188","Hossain, M. B.; van der Helm, D.; Sangiah, S.; Berlin, K. D.","7-Benzyl-3-thia-7-azabicyclo[3.3.1]nonane 3-Oxide","Acta Crystallographica Section C","1996","52","4","995","998","10.1107/S0108270195015447","","","0.71073","MoKα","","","0.044","","","0.043","","","","","1.9","1.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004699","11.273","0.003","10.41","0.004","13.796","0.003","90","","100.35","0.02","90","","1592.6","0.8","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-amino-4-hydroxybenzenesulfonic acid hemihydrate","","- C6 H8 N O4.5 S -","- C6 H8 N O4.5 S -","- C48 H64 N8 O36 S8 -","8","2","BK1189","Gunderman, B. J.; Squattrito, P. J.","3-Amino-4-hydroxybenzenesulfonic Acid Hemihydrate","Acta Crystallographica Section C","1996","52","4","940","942","10.1107/S0108270195014466","","","0.7107","MoKα","","0.0563","0.038","","0.0413","0.04","","","","","2.65","2.65","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004700","3.888","0.003","9.984","0.004","27.537","0.008","90","","93.09","0.08","90","","1067.4","1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(2-amino-5-bromobenzoyl)pyridine","","- C12 H9 Br N2 O -","- C12 H9 Br N2 O -","- C48 H36 Br4 N8 O4 -","4","1","BM1039","Cox, P. J.; Anisuzzaman, A. T. Md.; Pryce-Jones, R. H.; Shankland, N.; Skellern, G. G.","2-(2-Amino-5-bromobenzoyl)pyridine","Acta Crystallographica Section C","1996","52","4","929","931","10.1107/S0108270195014776","","","0.71069","MoKα","","0.0571","0.0427","","0.0915","0.0895","","","","1.01","1.166","1.166","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004701","10.995","0.002","14.837","0.003","10.316","0.002","102.63","0.02","96.95","0.02","83.16","0.02","1622.6","0.6","150","","150","","","","","","","","","5","P -1","-P 1","2","","diethylgallium diphenylphosphinate","","- C32 H40 Ga2 O4 P2 -","- C32 H40 Ga2 O4 P2 -","- C64 H80 Ga4 O8 P4 -","2","1","BM1040","Browning, D. J.; Corker, J. M.; Webster, M.","Diethylgallium Diphenylphosphinate","Acta Crystallographica Section C","1996","52","4","882","884","10.1107/S0108270195014508","","","0.71069","MoKα","","0.0459","0.0308","","0.0894","0.082","","","","1.02","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004702","12.552","0.003","19.18","0.003","9.997","0.002","90","","90","","90","","2406.8","0.8","293","","293","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","octacaesium decatungstosilicate nonahydrate","","- Cs8 H18 O43 Si W10 -","- Cs8 O45 Si W10 -","- Cs16 O90 Si2 W20 -","2","0.5","BR1104","Hartl, H.; Hubert, V.","Octacaesium Decatungstosilicate Nonahydrate","Acta Crystallographica Section C","1996","52","4","757","759","10.1107/S0108270195014284","","","0.7107","MoKα","","0.073","0.07","","0.07","0.07","","","","4.142","4.232","4.232","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004703","8.2508","0.0006","8.2508","0.0006","18.745","0.002","90","","90","","120","","1105.12","0.16","293","2","","","","","","","","","","7","P 63/m","-P 6c","","","","","- C6 H10 Bi La N6 O5 S6 -","- C6 H6 Bi La N6 O5 S6 -","- C12 H12 Bi2 La2 N12 O10 S12 -","2","0.166667","BR1118","Maniukiewicz, W.; Sieron, L.; Bukowska-Strzyzewska, M.; Turek, A.","Triaquahexathiocyanatobismuthlanthanum Dihydrate, [Bi(SCN)~6~La(H~2~O)~3~].2H~2~O, and Triaquahexathiocyanatobismuthneodymium Dihydrate, [Bi(SCN)~6~Nd(H~2~O)~3~].2H~2~O","Acta Crystallographica Section C","1996","52","4","753","757","10.1107/S0108270195013801","","","0.71073","MoKα","","0.0329","0.0277","","0.0593","0.0537","","","","1.162","1.172","1.172","","","","","has coordinates","208743","2020-10-21","18:00:00",""
"2004704","8.2","0.002","8.2","0.002","18.606","0.003","90","","90","","120","","1083.5","0.4","293","2","","","","","","","","","","7","P 63/m","-P 6c","","","","","- C6 H10 Bi N6 Nd O5 S6 -","- C6 H6 Bi N6 Nd O5 S6 -","- C12 H12 Bi2 N12 Nd2 O10 S12 -","2","0.166667","BR1118","Maniukiewicz, W.; Sieron, L.; Bukowska-Strzyzewska, M.; Turek, A.","Triaquahexathiocyanatobismuthlanthanum Dihydrate, [Bi(SCN)~6~La(H~2~O)~3~].2H~2~O, and Triaquahexathiocyanatobismuthneodymium Dihydrate, [Bi(SCN)~6~Nd(H~2~O)~3~].2H~2~O","Acta Crystallographica Section C","1996","52","4","753","757","10.1107/S0108270195013801","","","0.71073","MoKα","","0.0567","0.0464","","0.141","0.1199","","","","1.071","1.078","1.078","","","","","has coordinates","208743","2020-10-21","18:00:00",""
"2004705","10.622","0.003","5.459","0.002","13.708","0.004","90","","104.4","0.02","90","","769.9","0.4","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 N3 O2 S -","- C7 H5 N3 O2 S -","- C28 H20 N12 O8 S4 -","4","1","CF1034","Lokaj, J.; Vrábel, V.; Ilavský, D.; Bartovič, A.","2-Amino-4-nitrobenzothiazole","Acta Crystallographica Section C","1996","52","4","1040","1042","10.1107/S0108270195012728","","","0.71073","MoKα","","","0.037","","","0.042","","","","","1.34","1.34","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004706","8.006","0.001","12.097","0.002","8.794","0.001","90","","101.12","0.01","90","","835.7","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-1-acetoxymethyl-2-acetyl-1-methyl- 1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline","","- C17 H23 N O5 -","- C17 H23 N O5 -","- C34 H46 N2 O10 -","2","1","CF1035","Maurin, J. K.; Czarnocki, Z.; Paluchowska, B.","(<i>S</i>)-1-Acetoxymethyl-2-acetyl-1,2,3,4-tetrahydro-6,7-dimethoxy-1-methylisoquinoline","Acta Crystallographica Section C","1996","52","4","953","955","10.1107/S0108270195014491","","","1.54178","CuKα","","0.0446","0.0355","","0.1024","0.0967","","","","1.033","1.079","1.079","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004707","8.104","0.001","9.975","0.001","9.986","0.002","90","","90","","90","","807.2","0.2","195","3","195","3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,4-Dibromo-1,4-disilabutane","","- C2 H8 Br2 Si2 -","- C2 H8 Br2 Si2 -","- C8 H32 Br8 Si8 -","4","0.5","CF1041","Mitzel, N. W.; Riede, J.; Schmidbaur, H.","1,4-Dibromo-1,4-disilabutane","Acta Crystallographica Section C","1996","52","4","980","982","10.1107/S010827019501451X","","","0.71069","MoKα","","0.0485","0.0315","","0.0779","0.0676","","","","1.168","1.243","1.243","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004708","20.455","0.002","8.528","0.0008","20.338","0.002","90","","92.237","0.007","90","","3545.1","0.6","294","1","294","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Ferrocenyl-3-phenylquinoxaline","","- C24 H18 Fe N2 -","- C24 H18 Fe N2 -","- C192 H144 Fe8 N16 -","8","1","CF1042","Glidewell, C.; Scott, J. P.; Ferguson, G.","2-Ferrocenyl-3-phenylquinoxaline","Acta Crystallographica Section C","1996","52","4","770","773","10.1107/S0108270195015022","","","0.7107","MolybdenumKα","","0.0594","0.034","","0.0883","0.0823","","","","1.012","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004709","7.643","0.001","9.8349","0.0012","18.629","0.002","90","","90","","90","","1400.3","0.3","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Ferrocenyl-2-phenylethanedione","","- C18 H14 Fe O2 -","- C18 H14 Fe O2 -","- C72 H56 Fe4 O8 -","4","1","CF1043","Glidewell, C.; Gottfried, M. J.; Trotter, J.; Ferguson, G.","1-Ferrocenyl-2-phenylethanedione","Acta Crystallographica Section C","1996","52","4","773","775","10.1107/S0108270195015034","","","0.7107","MolybdenumKα","","0.0561","0.0319","","0.0712","0.0658","","","","0.977","1.071","1.071","","","","","has coordinates","192282","2020-10-21","18:00:00",""
"2004710","9.509","0.002","10.312","0.002","11.541","0.002","99.51","0.02","90.59","0.02","100.24","0.02","1097.4","0.4","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","Bis(1-ferrocenylpropyl) ether","","- C26 H30 Fe2 O -","- C26 H30 Fe2 O -","- C52 H60 Fe4 O2 -","2","1","CF1047","Ferguson, G.; Trotter, J.; Glidewell, C.; Zakaria, C. M.","Racemic Bis(1-ferrocenylpropyl) Ether","Acta Crystallographica Section C","1996","52","4","775","777","10.1107/S0108270195015046","","","0.7107","MolybdenumKα","","0.0528","0.0336","","0.0869","0.0816","","","","1.019","1.122","1.122","","","","","has coordinates","192283","2020-10-21","18:00:00",""
"2004711","11.222","0.005","10.725","0.008","12.002","0.008","90","","98.03","0.05","90","","1430.3","1.6","298","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 I3 N2 -","- C10 H9 I3 N2 -","- C40 H36 I12 N8 -","4","1","CF1051","Fialho De Assis, E.; Howie, R. A.; Wardell, J. L.","2-(2-Pyridyl)pyridinium Triiodide","Acta Crystallographica Section C","1996","52","4","955","957","10.1107/S0108270195014533","","","0.71073","MoKα","","","0.057","","","0.067","","","","","0.61","0.61","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004712","7.7051","0.0009","8.061","0.0008","20.419","0.002","90","","93.338","0.009","90","","1266.1","0.2","296","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H11 I O3 -","- C13 H11 I O3 -","- C52 H44 I4 O12 -","4","2","CR1135","Prince, P.; Fronczek, F. R.; Gandour, R. D.","1-Iodo-2-methoxy-7-naphthyl Acetate","Acta Crystallographica Section C","1996","52","4","944","947","10.1107/S0108270195010432","","","0.71073","MoKα","","","0.0417","","","0.0485","","","","","2.493","2.493","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004713","7.156","0.001","8.599","0.004","11.06","0.004","100.02","0.03","104.81","0.02","96.2","0.03","639.6","0.4","288","2","288","2","","","","","","","","5","P -1","-P 1","2","2-Aminoperimidine hydrobromide dihydrate","","","- C11 H14 Br N3 O2 -","- C11 H13 Br N3 O2 -","- C22 H26 Br2 N6 O4 -","2","1","CR1182","Baker, S. M.; Baughman, R. G.; Meloan, C. E.; Mumba, P.","2-Aminoperimidinium Bromide Dihydrate","Acta Crystallographica Section C","1996","52","4","998","1000","10.1107/S010827019501208X","","","0.71073","MoKα","","0.0596","0.0364","","0.0898","0.0777","","","","1.007","1.036","1.036","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004714","11.873","0.002","14.322","0.004","17.541","0.006","90","","90","","90","","2982.8","1.4","295","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C144 H176 O16 -","8","1","DE1005","Ghosh, K.; Pramanik, A.","(1<i>RS</i>,4a<i>SR</i>,12a<i>SR</i>)-1-Methyl-1,2,3,4,4a,5,6,7,12,12a-decahydrodibenzo[<i>a</i>,<i>d</i>]cyclooctene-1,4a-carbolactone","Acta Crystallographica Section C","1996","52","4","1029","1030","10.1107/S0108270195013199","","","0.71073","MoKα","","","0.0708","","","0.0705","","","","","1.09","1.09","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004715","14.8793","0.0007","8.9205","0.0006","7.2837","0.0004","90","","90","","90","","966.77","0.1","294","","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H11 Cl N2 O S -","- C6 H11 Cl N2 O S -","- C24 H44 Cl4 N8 O4 S4 -","4","1","DE1010","Seth, S.; Das, A. K.; Mak, T. C. W.","An Unusual C(<i>sp</i>^2^)—H···Cl Interaction in the Solid State: Reinvestigation of 4,6-Dimethylpyrimidine-2-thione Hydrochloride Monohydrate","Acta Crystallographica Section C","1996","52","4","910","913","10.1107/S0108270195012388","","","0.71073","MoKα","","","0.034","","","0.037","","","","","1.116","1.116","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004716","12.462","0.002","7.722","0.002","15.453","0.003","90","","110.16","0.03","90","","1396","0.6","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaqua-[2-ethylphenylamino-N,N-diacetato-N,O,O']zinc(II)","","- C12 H17 N O6 Zn -","- C12 H17 N O6 Zn -","- C48 H68 N4 O24 Zn4 -","4","1","DE1012","Hidalgo, M. A.; Suárez-Varela, J.; Avila-Rosón, J. C.; Martín-Ramos, J. D.; Romerosa, A.","Diaqua(2-ethylphenyliminodiacetato-<i>N</i>,<i>O</i>,<i>O</i>')zinc(II)","Acta Crystallographica Section C","1996","52","4","810","812","10.1107/S0108270195014132","","","0.71069","MoKα","","0.1939","0.0387","","0.1819","0.042","","","","","1.62","1.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004717","13.939","0.007","12.21","0.008","9.298","0.003","106.62","0.03","88.96","0.02","114.32","0.05","1372.8","1.4","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 Ca N4 O18 -","- C20 H22 Ca N4 O18 -","- C40 H44 Ca2 N8 O36 -","2","1","DE1013","","Dimeric Aqua(3,5-dinitrobenzoato)(triethylene glycol)calcium(II) 3,5-Dinitrobenzoate Hydrate","Acta Crystallographica C","1996","52","","786","789","10.1107/S0108270195013187","","","0.71073","MoKα","","","0.065","","","0.058","","","","","1.174","1.174","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004718","5.964","0.003","27.04","0.02","11.376","0.006","90","","94.42","0.05","90","","1829.1","1.9","293","","","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C9 H23 Ag N2 O S4 W -","- C9 H23 Ag N2 O S4 W -","- C36 H92 Ag4 N8 O4 S16 W4 -","4","1","DE1020","Huang, Q.; Wu, X.; Wang, Q.; Sheng, T.","The Polymeric Cluster Complex {[(CH~3~CH~2~)~3~NH][WAgS~4~].(DMF)}~<i>n~</i>","Acta Crystallographica Section C","1996","52","4","795","797","10.1107/S0108270195013758","","","0.71069","MoKα","","","0.0448","","","0.0498","","","","","1.11","1.11","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004719","14.692","0.002","13.88","0.001","9.759","0.001","90","","90","","90","","1990.1","0.4","293","2","293","","","","","","","","","5","P m n 21","P 2ac -2","31","2:1 complex (N-cyclopentyl-4-phenylpyridinium bromide : 4-phenylpyridine)","","","- C43 H48 Br3 N3 O -","- C43 H47 Br3 N3 O -","- C86 H94 Br6 N6 O2 -","2","0.5","DU1122","Wouters, J.; Evrard, G.; Durant, F.; Kalgutkar, A.; Castagnoli, Jnr, N.","An MPP^+^ Analog: the 2:1 <i>N</i>-Cyclopentyl-4-phenylpyridinium Bromide‒4-Phenylpyridine Complex","Acta Crystallographica Section C","1996","52","4","1033","1036","10.1107/S010827019501362X","","","1.54178","CuKα","","0.0562","0.0447","","0.1119","0.0997","","","","1.085","1.104","1.104","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004720","9.199","0.001","5.731","0.003","28.812","0.006","90","","95.08","0.01","90","","1513","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Cyclohexylamino-2-phenyl-4-thiazolecarbonitrile","","- C16 H17 N3 S -","- C16 H17 N3 S -","- C64 H68 N12 S4 -","4","1","DU1133","Kammoun, M.; Hajjem, B.; Jouini, T.; Baccar, B.","5-Cyclohexylamino-2-phenyl-4-thiazolecarbonitrile","Acta Crystallographica Section C","1996","52","4","1006","1007","10.1107/S0108270195013709","","","0.71069","MoKα","","0.0551","0.0401","","0.0955","0.0897","","","","1.179","1.254","1.254","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004721","8.411","0.002","14.454","0.003","15.8","0.003","90","","91.32","0.03","90","","1920.3","0.7","119","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H37 Cl5 Fe3 O8 P4 Si2 -","- C20 H37 Cl5 Fe3 O8 P4 Si2 -","- C40 H74 Cl10 Fe6 O16 P8 Si4 -","2","1","FG1051","Simons, R. S.; Tessier, C. A.","[Fe~2~(CO)~4~(PMe~3~)~4~(μ-H)(μ-SiCl~2~)][Fe(CO)~4~(SiCl~3~)]","Acta Crystallographica Section C","1996","52","4","840","842","10.1107/S0108270195013825","","","0.71073","MoKα","","","0.0398","","","0.0432","","","","","1.03","1.03","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004722","25.497","0.002","9.208","0.002","18.012","0.002","90","","129.78","0.02","90","","3249.9","1.3","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 O2 Sb -","- C18 H17 O2 Sb -","- C144 H136 O16 Sb8 -","8","1","FG1062","Pankaj, S.; Rosas, N.; Espinosa-Pérez, G.; Cabrera, A.","Triphenylstibine Dihydroxide","Acta Crystallographica Section C","1996","52","4","889","891","10.1107/S0108270195013898","","","0.71073","MoKα","","","0.0591","","","0.0673","","","","","1.24","1.24","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2004723","7.365","0.002","9.102","0.003","11.165","0.003","77.52","0.03","73.47","0.02","71.27","0.03","673.1","0.4","293","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 Mn N2 O10 -","- C24 H32 Mn N2 O10 -","- C24 H32 Mn N2 O10 -","1","0.5","FG1078","Haendler, H. M.","A Manganese Quinaldinate Complex: <i>trans</i>-[Diaquabis(2-quinolinecarboxylato)manganese(II)]‒Water‒Ethanol (1/2/2)","Acta Crystallographica Section C","1996","52","4","801","803","10.1107/S0108270195013904","","","0.71073","MoKα","","","0.045","","","0.065","","","","","1.54","1.54","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004724","25.109","0.002","18.557","0.004","18.436","0.007","90","","134.85","0.02","90","","6090","3","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-triaquocalcium-1,4,7,10-tetraazacyclododecane- N,N',N"",N'''-tetraaceto calcium hydrate","","- C16 H45.4 Ca2 N4 O18.7 -","- C16 H42.3 Ca2 N4 O18.65 -","- C128 H338.4 Ca16 N32 O149.2 -","8","1","FG1080","Anderson, O. P.; Reibenspies, J. H.","{Ca(OH~2~)~3~[Ca(DOTA)].7.7H~2~O}~<i>n~</i>","Acta Crystallographica Section C","1996","52","4","792","795","10.1107/S0108270195013916","","","0.71073","MoKα","","0.0976","0.0681","","0.2066","0.1999","","","","1.317","1.483","1.483","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004725","19.403","0.005","6.555","0.001","19.512","0.006","90","","97.38","0.02","90","","2461.1","1.1","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","triaquabis(O,O'-hydrogenoxalate) (O,O'-oxalate)(μ^3^-sulfide)tris(μ^2^-sulfide)trimolybdenum(IV)","","- C10 H20 Mo3 O17 S4 -","- C10 H4 Mo3 O17 S4 -","- C40 H16 Mo12 O68 S16 -","4","1","FG1088","Cotton, F. A.; Daniels, L. M.; Shang, M.; Llusar, R.; Schwotzer, W.","A Trinuclear Cluster of Molybdenum(IV), Mo~3~(μ~3~-S)(μ~2~-S)~3~(HC~2~O~4~)~2~(C~2~O~4~)(H~2~O)~3~","Acta Crystallographica Section C","1996","52","4","835","838","10.1107/S0108270195013928","","","0.71073","MoKα","","0.1637","0.0514","","0.1027","0.0931","","","","0.825","1.096","1.096","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004726","5.934","0.002","9.237","0.002","17.512","0.005","90","","90","","90","","959.9","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","JLG-244","2,4-dinitro-cis-1,5-dimethyl-2,4-diazabicyclo[3,2.0]heptan-3-one","","- C7 H10 N4 O5 -","- C7 H10 N4 O5 -","- C28 H40 N16 O20 -","4","1","FG1098","Deschamps, J. R.; George, C.; Gilardi, R. D.; Gagnon, J. L.; Zajac, Jnr, W. W.","<i>cis</i>-1,5-Dimethyl-2,4-dinitro-2,4-diazabicyclo[3.2.0]heptan-3-one and <i>cis</i>-1,5-Dimethyl-2,4-dinitro-2,4-diazabicyclo[3.1.0]hexan-3-one","Acta Crystallographica Section C","1996","52","4","993","995","10.1107/S010827019501393X","","","0.71073","MoKα","","0.0429","0.0333","","0.0904","0.0831","","","","1.071","1.079","1.079","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004727","7.306","0.001","10.83","0.002","11.525","0.002","90","","91.3","0.02","90","","911.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4-dinitro-cis-1,5-dimethyl-2,4-diazabicyclo[3,1.0]hexan-3-one","","- C6 H8 N4 O5 -","- C6 H8 N4 O5 -","- C24 H32 N16 O20 -","4","1","FG1098","Deschamps, J. R.; George, C.; Gilardi, R. D.; Gagnon, J. L.; Zajac, Jnr, W. W.","<i>cis</i>-1,5-Dimethyl-2,4-dinitro-2,4-diazabicyclo[3.2.0]heptan-3-one and <i>cis</i>-1,5-Dimethyl-2,4-dinitro-2,4-diazabicyclo[3.1.0]hexan-3-one","Acta Crystallographica Section C","1996","52","4","993","995","10.1107/S010827019501393X","","","0.71073","MoKα","","0.1062","0.0547","","0.1526","0.1233","","","","1.032","1.107","1.107","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004728","13.746","0.001","14.137","0.002","19.039","0.003","90","","94.1","0.01","90","","3690.3","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 Cd Cl N2 P S4 -","- C34 H40 Cd Cl N2 P S4 -","- C136 H160 Cd4 Cl4 N8 P4 S16 -","4","1","FG1103","Baggio, R.; Garland, M. T.; Perec, M.","The Five-Coordinate Cadmium Halide Bis(diethyldithiocarbamate) Complexes [PPh~4~][Cd(S~2~CNEt~2~)~2~Cl] and [PPh~4~][Cd(S~2~CNEt~2~)~2~Br]","Acta Crystallographica Section C","1996","52","4","823","826","10.1107/S0108270195013941","","","0.71073","MoKα","","0.0631","0.0358","","0.0804","0.0692","","","","1.036","1.07","1.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004729","13.858","0.002","14.159","0.003","19.25","0.003","90","","93.87","","90","","3768.5","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 Br Cd N2 P S4 -","- C34 H40 Br Cd N2 P S4 -","- C136 H160 Br4 Cd4 N8 P4 S16 -","4","1","FG1103","Baggio, R.; Garland, M. T.; Perec, M.","The Five-Coordinate Cadmium Halide Bis(diethyldithiocarbamate) Complexes [PPh~4~][Cd(S~2~CNEt~2~)~2~Cl] and [PPh~4~][Cd(S~2~CNEt~2~)~2~Br]","Acta Crystallographica Section C","1996","52","4","823","826","10.1107/S0108270195013941","","","0.71073","MoKα","","0.0963","0.0567","","0.1508","0.1282","","","","1.072","1.129","1.129","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004730","15.442","0.003","14.865","0.004","30.383","0.007","90","","90","","90","","6974","3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H32 Cu2 I2 N6 O2 -","- C32 H32 Cu2 I2 N6 O2 -","- C256 H256 Cu16 I16 N48 O16 -","8","1","FG1121","Bhaduri, S.; Rugmini, V.; Sapre, N. Y.; Jones, P. G.","Dimeric Iodo[1,1-di(2-pyridyl)-3-butenolato]copper(II) Bis(acetonitrile) Solvate, [Cu~2~(C~14~H~13~N~2~O)~2~I~2~].2CH~3~CN","Acta Crystallographica Section C","1996","52","4","804","806","10.1107/S0108270195013953","","","0.71073","MoKα","","0.0639","0.0344","","0.0973","0.0766","","","","1.072","1.016","1.016","","","","","has coordinates","194481","2020-10-21","18:00:00",""
"2004731","9.796","0.004","17.725","0.007","6.042","0.001","97.22","0.02","95.7","0.02","104.65","0.03","997.5","0.6","200","","200","","","","","","","","","5","P 1","P 1","1","","","","- C20 H23 Br N2 O4 -","- C20 H23 Br N2 O4 -","- C40 H46 Br2 N4 O8 -","2","2","FG1126","Parvez, M.; Rusiewicz, M.","Absolute Configuration of <small>D</small>-Brompheniramine Maleate","Acta Crystallographica Section C","1996","52","4","901","904","10.1107/S0108270195015125","","","0.71069","MoKα","","","0.035","","","0.039","","","","","1.262","1.262","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004732","25.016","0.006","5.881","0.008","11.299","0.008","90","","98.17","0.03","90","","1645","3","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,1'-bis(2-sulfonatoethyl)-4,4'-bipyridinium monohydrate","","- C14 H18 N2 O7 S2 -","- C14 H18 N2 O7 S2 -","- C56 H72 N8 O28 S8 -","4","0.5","FG1127","Vermeulen, L. A.; Robinson, P. D.","A Photochromic Zwitterionic Viologen: 4,4'-Bipyridinium-1,1'-bis(2-ethylsulfonate) Monohydrate","Acta Crystallographica Section C","1996","52","4","984","986","10.1107/S0108270195013989","","","0.71069","MoKα","","","0.044","","","0.052","","","","","1.48","1.48","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004733","5.525","0.002","10.968","0.003","30.003","0.005","90","","91.01","0.03","90","","1817.8","0.9","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Cl2 N3 -","- C19 H21 Cl2 N3 -","- C76 H84 Cl8 N12 -","4","1","FG1128","Parvez, M.","Clemizole Hydrochloride","Acta Crystallographica Section C","1996","52","4","904","905","10.1107/S0108270195015113","","","0.71069","MoKα","","","0.0663","","","0.0647","","","","","2.967","2.967","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004734","11.721","0.001","13.156","0.001","14.278","0.001","90","","95.1","0.01","90","","2193","0.3","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 O4 P -","- C28 H21 O4 P -","- C112 H84 O16 P4 -","4","1","HA1100","Mani Naidu, S.; Krishnaiah, M.; Sivakumar, K.; Manohar, H.","8-(3-Methylphenoxy)-16<i>H</i>-dinaphtho[2,1-<i>d</i>;1',2'-<i>g</i>][1,3,2]dioxaphosphocine 8-oxide","Acta Crystallographica Section C","1996","52","4","1052","1054","10.1107/S0108270195013886","","","0.71069","MoKα","","","0.04","","","0.048","","","","","1.23","1.23","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004735","4.987","0.005","9.998","0.003","20.567","0.001","101.81","0.02","94.21","0.02","94.95","0.02","995.6","1","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N8 O8 -","- C17 H16 N8 O8 -","- C34 H32 N16 O16 -","2","1","HA1101","Mani Naidu, S.; Krishnaiah, M.; Sivakumar, K.; Sharma, R. P.","2,4-Pentanedione Bis(2,4-dinitrophenylhydrazone)","Acta Crystallographica Section C","1996","52","4","1054","1056","10.1107/S0108270195013874","","","0.71069","MoKα","","","0.06","","","0.066","","","","","1.36","1.36","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004736","20.417","0.004","7.711","0.002","16.719","0.003","90","","113.71","0.02","90","","2410","1","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N4 O4 -","- C11 H10 N4 O4 -","- C88 H80 N32 O32 -","8","2","HA1102","Mani Naidu, S.; Krishnaiah, M.; Sivakumar, K.; Sharma, R. P.","1-(2,4-Dinitrophenyl)-3,5-dimethylpyrazole","Acta Crystallographica Section C","1996","52","4","1056","1058","10.1107/S0108270195013862","","","0.71069","MoKα","","","0.055","","","0.061","","","","","1.9","1.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004737","22.516","0.005","6.937","0.001","17.469","0.004","90","","101.51","0.02","90","","2673.7","1","298","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H19 N O5.5 P -","- C10 H19 N O5.5 P -","- C80 H152 N8 O44 P8 -","8","1","HA1103","Mani Naidu, S.; Krishnaiah, M.; Sivakumar, K.","3-Hydroxy-6-methyl-2-pyridylmethyl Isopropylphosphonate Sesquihydrate","Acta Crystallographica Section C","1996","52","4","1058","1060","10.1107/S0108270195013850","","","1.5418","CuKα","","","0.056","","","0.068","","","","","1.87","1.87","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004738","4.863","0.002","10.804","0.001","20.139","0.005","90","","96.19","0.03","90","","1051.9","0.5","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(4-nitrophenyl)-4-piperidinol","","- C11 H14 N2 O3 -","- C11 H14 N2 O3 -","- C44 H56 N8 O12 -","4","1","HA1146","Tomlin, D. W.; Bunning, T. J.; Price, G. E.; Fratini, A. V.; Adams, W. W.","1-(4-Nitrophenyl)-4-piperidinol","Acta Crystallographica Section C","1996","52","4","1000","1002","10.1107/S0108270195014545","","","0.71073","MoKα","","","0.064","","","0.041","","","","","1.376","1.376","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004739","7.565","0.001","12.046","0.001","13.701","0.001","90","","90","","90","","1248.5","0.2","298","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 Cl2 Pd S3 -","- C7 H14 Cl2 Pd S3 -","- C28 H56 Cl8 Pd4 S12 -","4","1","HL1041","Lee, G.-H.; Tzeng, B.-C.","Palladium Complexes of 1,4,7-Trithiacyclodecane","Acta Crystallographica Section C","1996","52","4","879","882","10.1107/S0108270193013769","","","0.71069","MoKα","","","0.026","","","0.026","","","","","1.16","1.16","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004740","18.117","0.001","11.608","0.001","13.611","0.001","90","","96.4","0.01","90","","2844.6","0.4","298","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H42 Cl2 O7 Pd S6 -","- C14 H44 Cl O6 Oc2 Pd S6 -","- C56 H176 Cl4 O24 Oc8 Pd4 S24 -","4","0.5","HL1041","Lee, G.-H.; Tzeng, B.-C.","Palladium Complexes of 1,4,7-Trithiacyclodecane","Acta Crystallographica Section C","1996","52","4","879","882","10.1107/S0108270193013769","","","0.71069","MoKα","","","0.035","","","0.042","","","","","2.66","2.66","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004741","9.395","0.007","14.373","0.008","14.53","0.005","89.11","0.04","88.27","0.04","86.79","0.04","1957.9","1.9","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N4 S Se2 -","- C19 H18 N4 S Se2 -","- C76 H72 N16 S4 Se8 -","4","2","HR1038","Billing, D. G.; Boeyens, J. C. A.; Cook, L. M.; Lai, L.-L.; Reid, D. H.","5,6,7,8-Tetrahydro-2,3-diphenyl-2aλ^4^-thia-2,3,4a,8a-tetraazacyclopent[<i>cd</i>]azulene-1[2<i>H</i>],4[3<i>H</i>]-diselone","Acta Crystallographica Section C","1996","52","4","970","973","10.1107/S0108270195012637","","","0.71073","MoKα","","","0.0791","","","0.1052","","","","","1.07","1.07","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004742","7.573","0.002","21.152","0.005","11.756","0.002","90","","90","","90","","1883.1","0.7","295","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C10 H7 N O4 -","- C10 H7 N O4 -","- C80 H56 N8 O32 -","8","1","HU1020","Feeder, N.; Jones, W.","Structures of Five ω-Phthalimidoaliphatic Carboxylic Acids","Acta Crystallographica Section C","1996","52","4","913","919","10.1107/S010827019501626X","","","0.71069","Mo","","","0.066","","","0.066","","","","","1.949","1.949","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004743","7.079","0.004","8.949","0.005","15.893","0.007","90","","98.84","0.04","90","","994.9","0.9","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C11 H9 N O4 -","- C11 H9 N O4 -","- C44 H36 N4 O16 -","4","1","HU1020","Feeder, N.; Jones, W.","Structures of Five ω-Phthalimidoaliphatic Carboxylic Acids","Acta Crystallographica Section C","1996","52","4","913","919","10.1107/S010827019501626X","","","0.71069","Mo","","","0.046","","","0.046","","","","","0.756","0.756","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004744","7.336","0.006","10.95","0.003","14.693","0.005","100.79","0.03","104.5","0.05","83.53","0.06","1119.8","1.1","295","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N O4 -","- C12 H10 N O4 -","- C48 H40 N4 O16 -","4","2","HU1020","Feeder, N.; Jones, W.","Structures of Five ω-Phthalimidoaliphatic Carboxylic Acids","Acta Crystallographica Section C","1996","52","4","913","919","10.1107/S010827019501626X","","","0.71069","Mo","","","0.064","","","0.064","","","","","1.115","1.115","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2004745","6.574","0.004","4.899","0.002","37.413","0.013","90","","95.18","0.03","90","","1200","1","295","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N O4 -","- C13 H12 N O4 -","- C52 H48 N4 O16 -","4","1","HU1020","Feeder, N.; Jones, W.","Structures of Five ω-Phthalimidoaliphatic Carboxylic Acids","Acta Crystallographica Section C","1996","52","4","913","919","10.1107/S010827019501626X","","","0.71069","Mo","","","0.072","","","0.072","","","","","1.595","1.595","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2004746","21.055","0.008","4.662","0.001","28.067","0.009","90","","105.22","0.03","90","","2658.4","1.5","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C14 H15 N O4 -","- C14 H14 N O4 -","- C112 H112 N8 O32 -","8","2","HU1020","Feeder, N.; Jones, W.","Structures of Five ω-Phthalimidoaliphatic Carboxylic Acids","Acta Crystallographica Section C","1996","52","4","913","919","10.1107/S010827019501626X","","","0.71073","Mo","","","0.08","","","0.08","","","","","1.835","1.835","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004747","5.054","0.001","14.747","0.005","12.568","0.003","90","","92.88","0.02","90","","935.5","0.4","295","","","","","","","","","","","4","C 1 c 1","C -2yc","","","","","- C9 H9 N O4 -","- C9 H9 N O4 -","- C36 H36 N4 O16 -","4","1","HU1075","Feeder, N.; Jones, W.","Structures of Four <i>p</i>-Amidoperbenzoic Acids","Acta Crystallographica Section C","1996","52","4","919","923","10.1107/S0108270195016271","","","0.71069","MoKα","","","0.056","","","0.056","","","","","1.184","1.184","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004748","4.8853","0.001","15.68","0.004","12.793","0.003","90","","92.21","0.02","90","","979.2","0.4","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","p-propanamidoperbenzoic","p-propanamidoperbenzoic acid","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C40 H44 N4 O16 -","4","1","HU1075","Feeder, N.; Jones, W.","Structures of Four <i>p</i>-Amidoperbenzoic Acids","Acta Crystallographica Section C","1996","52","4","919","923","10.1107/S0108270195016271","","","0.71069","MoKα","","0.0855","0.0412","","0.1339","0.118","","","","0.827","0.977","0.977","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004749","10.75","0.003","14.477","0.006","6.875","0.003","90","","90","","90","","1069.9","0.7","295","","","","","","","","","","","4","P b c m","-P 2c 2b","","","","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C44 H52 N4 O16 -","4","0.5","HU1075","Feeder, N.; Jones, W.","Structures of Four <i>p</i>-Amidoperbenzoic Acids","Acta Crystallographica Section C","1996","52","4","919","923","10.1107/S0108270195016271","","","0.71069","MoKα","","","0.054","","","0.054","","","","","0.88","0.88","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004750","10.729","0.005","14.026","0.007","8.654","0.003","90","","111.59","0.03","90","","1210.9","1","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C48 H60 N4 O16 -","4","1","HU1075","Feeder, N.; Jones, W.","Structures of Four <i>p</i>-Amidoperbenzoic Acids","Acta Crystallographica Section C","1996","52","4","919","923","10.1107/S0108270195016271","","","0.71069","MoKα","","","0.068","","","0.068","","","","","1.286","1.286","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004751","9.558","0.002","20.676","0.004","9.591","0.002","90","","90","","90","","1895.4","0.7","130","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Bis(tert-butyl acetoacetato)aquocopper(II)","","- C16 H28 Cu O7 -","- C16 H28 Cu O7 -","- C64 H112 Cu4 O28 -","4","0.5","HU1134","Patnaik, S.; Guru Row, T. N.; Raghunathan, L.; Devi, A.; Goswami, J.; Shivashankar, S. A.; Chandrasekaran, S.; Robinson, W. T.","Low-Temperature Structure of Two Copper-Based Precursors for MOCVD: Aquabis(<i>tert</i>-butyl acetoacetato)copper(II) and Bis(dipivaloylmethanido)copper(II)","Acta Crystallographica Section C","1996","52","4","891","894","10.1107/S0108270195012157","","","0.71073","MoKα","","0.0616","0.0386","","0.1086","0.0924","","","","1.015","0.985","0.985","","","","","has coordinates","191094","2020-10-21","18:00:00",""
"2004752","10.175","0.002","10.939","0.002","11.469","0.002","90","","112.06","0.03","90","","1183.1","0.5","130","","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(dipivaloylmethanido)copper(II) ?","","- C22 H38 Cu O4 -","- C22 H38 Cu O4 -","- C44 H76 Cu2 O8 -","2","0.5","HU1134","Patnaik, S.; Guru Row, T. N.; Raghunathan, L.; Devi, A.; Goswami, J.; Shivashankar, S. A.; Chandrasekaran, S.; Robinson, W. T.","Low-Temperature Structure of Two Copper-Based Precursors for MOCVD: Aquabis(<i>tert</i>-butyl acetoacetato)copper(II) and Bis(dipivaloylmethanido)copper(II)","Acta Crystallographica Section C","1996","52","4","891","894","10.1107/S0108270195012157","","","0.71073","MoKα","","0.0778","0.0462","","0.1455","0.1182","","","","0.811","0.787","0.787","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004753","7.502","0.005","8.32","0.006","11.809","0.006","87","0.05","89.76","0.05","69.65","0.06","690","0.8","80","2","80","2","","","","","","","","5","P -1","-P 1","2","","fac-trichloro(tetrahydrofuran)(d,l-tetrahydrofurfuranol)titanium(III)","","- C9 H18 Cl3 O3 Ti -","- C9 H18 Cl3 O3 Ti -","- C18 H36 Cl6 O6 Ti2 -","2","1","JZ1073","Olejnik, Z.; Lis, T.; Utko, J.; Sobota, P.","Low-Temperature Structures of <i>fac</i>-Trichloro(tetrahydrofuran)(<small>D</small>, <small>L</small>-tetrahydrofurfuranol)titanium(III) and <i>fac</i>-Trichloro(tetrahydrofuran)(<small>D</small>, <small>L</small>-tetrahydrofurfuroxide)titanium(IV)","Acta Crystallographica Section C","1996","52","4","847","850","10.1107/S0108270195013485","","","0.71069","MoKα","","","0.0267","","","0.0689","","","","","1.091","1.091","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004754","9.074","0.008","12.553","0.009","15.65","0.02","90","","131.06","0.12","90","","1344","3","80","2","80","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","fac-trichloro(tetrahydrofuran)(d,l-tetrahydrofurfuroxide)titanium(IV)","","- C9 H17 Cl3 O3 Ti -","- C9 H17 Cl3 O3 Ti -","- C36 H68 Cl12 O12 Ti4 -","4","1","JZ1073","Olejnik, Z.; Lis, T.; Utko, J.; Sobota, P.","Low-Temperature Structures of <i>fac</i>-Trichloro(tetrahydrofuran)(<small>D</small>, <small>L</small>-tetrahydrofurfuranol)titanium(III) and <i>fac</i>-Trichloro(tetrahydrofuran)(<small>D</small>, <small>L</small>-tetrahydrofurfuroxide)titanium(IV)","Acta Crystallographica Section C","1996","52","4","847","850","10.1107/S0108270195013485","","","0.71069","MoKα","","","0.0233","","","0.0629","","","","","1.107","1.107","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004755","7.89","0.001","11.752","0.001","17.028","0.001","90","","90","","90","","1578.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-tert-Butyloxycarbonyl-6(S)-hydroxymethyl-3(S)-methylethyl- piperazin-2-one","","- C13 H24 N2 O4 -","- C13 H24 N2 O4 -","- C52 H96 N8 O16 -","4","1","JZ1074","Kolter, T.; Rübsam, F.; Giannis, A.; Nieger, M.","4-<i>tert</i>-Butyloxycarbonyl-6(<i>S</i>)-(hydroxymethyl)-3(<i>S</i>)-(1-methylethyl)piperazin-2-one","Acta Crystallographica Section C","1996","52","4","978","980","10.1107/S0108270195013278","","","1.54178","CuKα","","0.0921","0.0674","","0.2097","0.1845","","","","1.042","1.061","1.061","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004756","10.545","0.002","12.924","0.002","14.856","0.002","90.6","0.01","100.06","0.01","99.47","0.01","1964.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Cis-Diaquabis(1,10-phenanthroline-N,N')Zinc(II) Di(thiosulfate-S-)(1,10-phenanthroline-N,N'-)Zincate(II) Hydrate","","- C36 H30 N6 O9 S4 Zn2 -","- C36 H30 N6 O8.997 S3.998 Zn2 -","- C72 H60 N12 O17.994 S7.996 Zn4 -","2","1","JZ1082","Baggio, R.; Baggio, S.; Pardo, M. I.; Garland, M. T.","<i>cis</i>-Diaquabis(1,10-phenanthroline-<i>N</i>,<i>N</i>')zinc(II) (1,10-Phenanthroline-<i>N</i>,<i>N</i>')bis(thiosulfato-<i>S</i>)zincate(II) Monohydrate","Acta Crystallographica Section C","1996","52","4","820","823","10.1107/S010827019501359X","","","0.71073","MoKα","","0.0658","0.0458","","0.1333","0.1183","","","","0.986","1.012","1.012","","","","","has coordinates,has disorder","199684","2020-10-21","18:00:00",""
"2004757","8.694","0.001","11.344","0.002","11.636","0.003","74.29","0.02","87.43","0.02","70.66","0.02","1041.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Nonasodium Bis(hexahydroxoaluminate) Trihydroxide Hexahydrate","","- Al2 H27 Na9 O21 -","- Al2 H27 Na9 O21 -","- Al4 H54 Na18 O42 -","2","1","JZ1084","Zabel, V.; Schneider, M.; Weinberger, M.; Gessner, W.","Nonasodium Bis(hexahydroxoaluminate) Trihydroxide Hexahydrate","Acta Crystallographica Section C","1996","52","4","747","749","10.1107/S0108270195015277","","","0.71073","MoKα","","0.0587","0.032","","0.0823","0.0728","","","","1.052","1.135","1.135","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004758","21.316","0.011","12.296","0.007","20.686","0.008","90","","109.98","0.06","90","","5096","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Cs8 F10 Fe15 O48 P12 -","- Cs8 F10 Fe15 O48 P12 -","- Cs32 F40 Fe60 O192 P48 -","4","0.5","JZ1087","Frenzen, G.; Yakubovich, O. V.; Mel'nikov, O. K.","A New Synthetic Fluoride Phosphate of Mixed-Valence Iron: Cs~8~Fe~8~^3+^Fe~7~^2+^F~10~(PO~4~)~12~","Acta Crystallographica Section C","1996","52","4","749","753","10.1107/S0108270195015472","","","0.71073","MoKα","","0.0472","0.0357","","0.0899","0.0847","","","","1.077","1.119","1.119","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004759","12.007","0.003","18.708","0.005","31.213","0.01","90","","90","","90","","7011","3","293","2","293","2","","","","","","","","7","I b c a","-I 2b 2c","73","","tris(4,4'-bipyrimidine)ruthenium(II) dihexafluorophosphate monoacetone","","- C27 H24 F12 N12 O P2 Ru -","- C27 H24 F12 N12 O P2 Ru -","- C216 H192 F96 N96 O8 P16 Ru8 -","8","0.5","JZ1090","Breu, J.; Belser, P.; Yersin, H.","Tris(4,4'-bipyrimidine)ruthenium(II) Bis(hexafluorophosphate) Acetone Solvate","Acta Crystallographica Section C","1996","52","4","858","861","10.1107/S0108270195014156","","","0.71069","MoKα","","0.0497","0.0387","","0.118","0.1109","","","","0.981","1.056","1.056","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004760","12.6439","0.0015","13.677","0.002","17.107","0.003","67.357","0.01","85.069","0.012","86.429","0.01","2718.8","0.7","208","2","208","2","","","","","","","","6","P -1","-P 1","2","Bis(triphenylphosphine)iminiumnitrito(phthalocyaninato)zincate Hydrate","","","- C68 H48 N10 O3 P2 Zn -","- C68 H48 N10 O3 P2 Zn -","- C136 H96 N20 O6 P4 Zn2 -","2","1","JZ1091","Assmann, B.; Sievertsen, S.; Homborg, H.","Bis(triphenylphosphine)iminium Nitrito(phthalocyaninato)zincate Hydrate","Acta Crystallographica Section C","1996","52","4","876","879","10.1107/S0108270195014351","","","0.71069","MoKα","","0.0412","0.0295","","0.0776","0.0726","","","","1.04","1.067","1.067","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004761","14.063","0.003","5.267","0.0005","18.941","0.003","90","","98.387","0.014","90","","1388","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6,6'-Diphenyl-3,3'-bis-1,2,4,5-tetrazine","","- C16 H10 N8 -","- C16 H10 N8 -","- C64 H40 N32 -","4","1","JZ1094","Breu, J.; Range, K.-J.; Biedermann, N.; Schmid, K.; Sauer, J.","Arene‒Arene Stacking in 6,6'-Diphenyl-3,3'-bi-1,2,4,5-tetrazine and 6-Phenyl-1,2,4,5-tetrazine-3-carbaldehyde Benzoylhydrazone Monohydrate","Acta Crystallographica Section C","1996","52","4","936","940","10.1107/S0108270195015216","","","0.71069","MoKα","","0.1055","0.0378","","0.0886","0.0724","","","","0.745","0.968","0.968","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004762","6.53","0.0003","8.6338","0.0006","27.7016","0.0009","90","","96.052","0.003","90","","1553.08","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Phenyl-1,2,4,5-tetrazine-3-carbaldehyde-benzoylhydrazone monohydrate","","- C16 H14 N6 O2 -","- C16 H14 N6 O2 -","- C64 H56 N24 O8 -","4","1","JZ1094","Breu, J.; Range, K.-J.; Biedermann, N.; Schmid, K.; Sauer, J.","Arene‒Arene Stacking in 6,6'-Diphenyl-3,3'-bi-1,2,4,5-tetrazine and 6-Phenyl-1,2,4,5-tetrazine-3-carbaldehyde Benzoylhydrazone Monohydrate","Acta Crystallographica Section C","1996","52","4","936","940","10.1107/S0108270195015216","","","1.5418","CuKα","","0.1345","0.0428","","0.1186","0.0994","","","","0.808","1.005","1.005","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004763","9.236","0.002","11.236","0.002","9.283","0.002","90","","90.44","0.02","90","","963.3","0.3","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","Quecksilberdiiodid.(18-Krone-6)","1,4,7,10,13,16-Hexaoxacyclooctadecan-Quecksilberdiiodid","","- C12 H24 Hg I2 O6 -","- C12 H24 Hg I2 O6 -","- C24 H48 Hg2 I4 O12 -","2","0.25","JZ1095","El Essawi, M.; Abd El Khalik, S.; Tebbe, K.-F.","Verfeinerung von Quecksilberdiiodid-(18-Krone-6), Hg(18-krone-6)I~2~","Acta Crystallographica Section C","1996","52","4","818","820","10.1107/S0108270195014697","","","0.71069","MoKα","","0.0203","0.0175","","0.0394","0.0388","","","","1.068","1.106","1.106","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004764","10.5458","0.0009","12.4347","0.001","12.5963","0.0012","65.749","0.009","85.167","0.008","68.828","0.007","1400.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tetraphenylphosphonium trans-Tetrabromoaquacarbonylosmate(III)","","- C25 H22 Br4 O2 Os P -","- C25 H22 Br4 O2 Os P -","- C50 H44 Br8 O4 Os2 P2 -","2","1","JZ1098","Höhling, M.; Preetz, W.","Tetraphenylphosphonium <i>trans</i>-Aquatetrabromo(carbonyl)osmate(III), <i>trans</i>-[(C~6~H~5~)~4~P][OsBr~4~(CO)(H~2~O)]","Acta Crystallographica Section C","1996","52","4","863","865","10.1107/S0108270195014259","","","0.71069","MoKα","","0.0683","0.0298","","0.0725","0.0556","","","","1.162","1.069","1.069","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004765","16.897","0.002","4.9442","0.0005","12.295","0.001","90","","103.418","0.009","90","","999.11","0.18","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Cobalt Silicon Diphosphate","","- Co2 O14 P4 Si -","- Co2 O14 P4 Si -","- Co8 O56 P16 Si4 -","4","0.5","JZ1108","Glaum, R.; Schmidt, A.","Cobalt Silicon Diphosphate, Co~2~Si(P~2~O~7~)~2~","Acta Crystallographica Section C","1996","52","4","762","764","10.1107/S0108270195016982","","","0.71069","MoKα","","0.0398","0.02","","0.0505","0.046","","","","1.047","1.096","1.096","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004766","5.938","0.001","10.206","0.002","16.447","0.004","90","","90","","90","","996.7","0.4","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O4 -","- C11 H10 O4 -","- C44 H40 O16 -","4","1","KA1134","Flasche, M.; Raabe, G.","Two Diastereomers of Benzylidene-<small>D</small>-erythronolactone","Acta Crystallographica Section C","1996","52","4","895","899","10.1107/S0108270195012443","","","1.54179","CuKα","","","0.036","","","0.036","","","","","5.15","5.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004767","5.7","0.0007","10.7002","0.0009","16.142","0.001","90","","90","","90","","984.52","0.16","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O4 -","- C11 H10 O4 -","- C44 H40 O16 -","4","1","KA1134","Flasche, M.; Raabe, G.","Two Diastereomers of Benzylidene-<small>D</small>-erythronolactone","Acta Crystallographica Section C","1996","52","4","895","899","10.1107/S0108270195012443","","","1.54179","CuKα","","","0.035","","","0.03","","","","","3.877","3.877","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004768","6.097","0.007","6.804","0.005","16.92","0.02","90","","97.66","0.06","90","","695.6","1.3","295","3","295","3","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,3R) 3-Amino-1-(1'-methyloxycarbonyl-2-methyl-prop-1'-enyl)-4-oxoazetidine-2- sulfonic Acid Monohydrate","","- C9 H16 N2 O7 S -","- C9 H16 N2 O7 S -","- C18 H32 N4 O14 S2 -","2","1","KA1146","Mandic, Z.; Kiralj, R.; Kojic-Prodic, B.; Kovacevic, M.","(2<i>R</i>,3<i>R</i>)-3-Ammonio-1-(1-methoxycarbonyl-2-methyl-1-propenyl)-4-oxoazetidine-2-sulfonate Monohydrate: a New Chiral β-Lactam Synthon","Acta Crystallographica Section C","1996","52","4","988","991","10.1107/S0108270195014077","","","0.71073","MoKα","","","0.0408","","","0.0431","","","","","0.46","0.46","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004769","18.847","0.003","13.715","0.002","17.543","0.003","90","","95.93","0.04","90","","4510.4","1.3","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Iodo-tris(triphenylphosphine)silver(I)","","- C54 H45 Ag I P3 -","- C54 H45 Ag I P3 -","- C216 H180 Ag4 I4 P12 -","4","1","KA1149","Hibbs, D. E.; Hursthouse, M. B.; Malik, K. M. A.; Beckett, M. A.; Jones, P. W.","Iodotris(triphenylphosphine)silver(I), [Ag(PPh~3~)~3~I]","Acta Crystallographica Section C","1996","52","4","884","887","10.1107/S0108270195015228","","","0.71069","MoKα","","0.0558","0.0489","","0.1177","0.116","","","","1.011","1.096","1.096","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004770","10.433","0.002","33.313","0.001","9","0.004","90","","90","","90","","3128","1.5","173","1","173","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6-O-p-bromobenzoyl-salvileucolide-methylester","","","- C33 H43 Br O7 -","- C33 H43 Br O7 -","- C132 H172 Br4 O28 -","4","1","KA1151","Linden, A.; Juch, M.; Rüedi, P.","Absolute Configuration of 6-<i>O</i>-<i>p</i>-Bromobenzoylsalvileucolide Methyl Ester","Acta Crystallographica Section C","1996","52","4","933","935","10.1107/S0108270195014089","","","0.71069","MoKα","","0.1563","0.0511","","0.0433","0.036","","","","","1.458","1.458","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004771","16.013","0.006","11.86","0.006","9.643","0.002","90","","98.5","0.02","90","","1811.2","1.2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,2'-[(1,2-cyclohexanediyl)bis(nitrilomethylidyne)]bisphenol","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","KA1152","Cannadine, J. C.; Corden, J. P.; Errington, W.; Moore, P.; Wallbridge, M. G. H.","Two Schiff Base Ligands Derived from 1,2-Diaminocyclohexane","Acta Crystallographica Section C","1996","52","4","1014","1017","10.1107/S0108270195014090","","","0.71073","MoKα","","0.0484","0.0436","","0.1219","0.1071","","","","1.022","1.064","1.064","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004772","11.832","0.009","13.797","0.005","12.954","0.007","90","","112.51","0.04","90","","1954","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-[(1,2-cyclohexanediyl)bis(nitriloethylidyne)]bisphenol","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C88 H104 N8 O8 -","4","1","KA1152","Cannadine, J. C.; Corden, J. P.; Errington, W.; Moore, P.; Wallbridge, M. G. H.","Two Schiff Base Ligands Derived from 1,2-Diaminocyclohexane","Acta Crystallographica Section C","1996","52","4","1014","1017","10.1107/S0108270195014090","","","0.71073","MoKα","","0.1343","0.0451","","0.286","0.0896","","","","0.688","1.054","1.054","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004773","7","0.004","30.605","0.005","7.151","0.003","90","","110.32","0.04","90","","1436.7","1.1","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","KA1158","Böcskei, Z.; Simon, K.; Varga, M.; Hermecz, I.","Ipriflavone, an Antiostheophorotic Agent","Acta Crystallographica Section C","1996","52","4","1022","1024","10.1107/S0108270195015241","","","1.5418","CuKα","","0.1986","0.0741","","0.3279","0.2047","","","","1.033","1.101","1.101","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2004774","17.0989","0.0022","10.4699","0.0018","17.7115","0.0024","90","","109.721","0.008","90","","2984.8","0.8","294","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H68 Cl2 N4 O2 Sn2 -","- C32 H34 Cl N2 O Sn -","- C128 H136 Cl4 N8 O4 Sn4 -","4","1","KA1159","Hazell, A.; Hu, H.; Khoo, L. E.","Chloro{2-[2-(dimethylamino)ethyliminomethyl]phenol}triphenyltin(IV) Benzene Hemisolvate, [SnCl(C~6~H~5~)~3~(C~11~H~16~N~2~O)].0.5C~6~H~6~","Acta Crystallographica Section C","1996","52","4","873","876","10.1107/S0108270195014107","","","0.71073","MoKα","","","0.033","","","0.042","","","","","0.968","0.968","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004775","8.678","0.003","16.152","0.002","8.421","0.001","90","","112.75","0.01","90","","1088.5","0.4","300","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H32 Cl2 Cu N4 O8 -","- C14 H32 Cl2 Cu N4 O8 -","- C28 H64 Cl4 Cu2 N8 O16 -","2","0.5","KH1042","Wang, A.; Lee, T.-J.; Chi, T.-Y.; Liao, F.-L.; Liu, G.-S.; Chung, C.-S.","Diperchlorato[(1<i>RS</i>,4<i>RS</i>,5<i>SR</i>,7<i>RS</i>,8<i>SR</i>,11<i>SR</i>,12<i>RS</i>,14<i>SR</i>)-(5,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane)]copper(II)","Acta Crystallographica Section C","1996","52","4","806","807","10.1107/S0108270195012704","","","0.71073","MoKα","","","0.0492","","","0.051","","","","","1.01","1.01","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004776","27.395","0.008","10.804","0.003","19.201","0.003","90","","126.54","0.02","90","","4566","2","296","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H42 Cu4 N6 S10 -","- C36 H42 Cu4 N6 S10 -","- C144 H168 Cu16 N24 S40 -","4","0.5","KH1046","Li, H.; Sheng, T.; Huang, Q.; Wu, X.","Tetrakis(3-methylpyridine)-1κ<i>N</i>,2κ<i>N</i>,3κ<i>N</i>,4κ<i>N</i>-bis(μ~4~-pentathio)-1:2κ^2^<i>S</i>^1^,2κ<i>S</i>^4^,3κ<i>S</i>^2^,3:4κ^2^<i>S</i>^5^;1κ<i>S</i>^4'^,1:3κ^2^<i>S</i>^1'^,2:4κ^2^<i>S</i>^5'^,4κ<i>S</i>^2'^-tetracopper(I) Bis(3-methylpyridine) Solvate","Acta Crystallographica Section C","1996","52","4","887","889","10.1107/S0108270195011462","","","0.71073","MoKα","","","0.049","","","0.068","","","","","0.97","0.97","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004777","20.738","0.007","9.791","0.003","30.251","0.01","90","","90","","90","","6142","3","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-butyl-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]- 5-phenyl-6-dimethoxymethyl-1H-imidazopyridine","","- C33 H33 N7 O2 -","- C33 H33 N7 O2 -","- C264 H264 N56 O16 -","8","1","KH1056","Shin, W.; Yoon, T.-S.; Yoo, S. E.","A Non-Peptide Angiotensin II Receptor Antagonist: 2-Butyl-6-dimethoxymethyl-5-phenyl-1-{[2'-(1<i>H</i>-tetrazol-5-yl)biphenyl-4-yl]methyl}-1<i>H</i>-imidazo[5,4-<i>b</i>]pyridine","Acta Crystallographica Section C","1996","52","4","1019","1022","10.1107/S0108270195011978","","","1.5418","CuKα","","0.2565","0.1066","","0.3363","0.2575","","","","1.327","1.824","1.824","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004778","8.943","0.001","9.222","0.002","17.184","0.002","90","","90.53","0.01","90","","1417.1","0.4","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cis-Diammine-bis(pyrazole)platinum(II) nitrate","","- C6 H14 N8 O6 Pt -","- C6 H14 N8 O6 Pt -","- C24 H56 N32 O24 Pt4 -","4","1","KH1060","Sakai, K.; Ishikura, A.; Tsubomura, T.; Matsumoto, K.","Two Different Crystal Forms of <i>cis</i>-diamminebis(pyrazole)platinum(II) Nitrate","Acta Crystallographica Section C","1996","52","4","779","783","10.1107/S0108270195013461","","","0.71069","MoKα","","","0.0391","","","0.0377","","","","","3.18","3.18","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004779","10.049","0.002","7.531","0.003","12.298","0.001","90","","98.89","0.01","90","","919.5","0.4","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","cis-Diammine-bis(pyrazole)platinum(II) nitrate pyrazole","","- C9 H18 N10 O6 Pt -","- C9 H18 N10 O6 Pt -","- C18 H36 N20 O12 Pt2 -","2","1","KH1060","Sakai, K.; Ishikura, A.; Tsubomura, T.; Matsumoto, K.","Two Different Crystal Forms of <i>cis</i>-diamminebis(pyrazole)platinum(II) Nitrate","Acta Crystallographica Section C","1996","52","4","779","783","10.1107/S0108270195013461","","","0.71069","MoKα","","","0.0383","","","0.0248","","","","","1.2","1.2","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004780","7.428","0.002","18.238","0.002","12.4692","0.0014","90","","90.743","0.016","90","","1689.1","0.5","298","3","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H25 N4 O3 Tc -","- C14 H25 N4 O3 Tc -","- C56 H100 N16 O12 Tc4 -","4","1","KH1061","Tsai, C.-S.; Lu, T.-H.; Duh, J.-Y.; Yeh, S.-J.","(<i>meso</i>-4,8-Diaza-3,9-dimethyl-6,6-trimethyleneundecane-2,10-dione dioximato-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')oxotechnetium(V), [TcO(C~14~H~25~N~4~O~2~)]","Acta Crystallographica Section C","1996","52","4","838","840","10.1107/S0108270195014181","","","0.71073","MoKα","","","0.032","","","0.051","","","","","2.02","2.02","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004781","12.12","0.003","18.425","0.003","7.11","0.006","90","","90","","90","","1587.7","1.4","296","","296","","","","","","","","","7","P m m n :2","-P 2ab 2a","59","","Di-μ-pyrazolato-bis[(2,2'-bipyridine)platinum(II)] tetrafluoroborate monohydrate","","- C26 H24 B2 F8 N8 O Pt2 -","- C25 H21 B F6 N8 O0.25 Pt -","- C50 H42 B2 F12 N16 O0.5 Pt2 -","2","0.25","KH1064","Sakai, K.; Sato, T.; Tsubomura, T.; Matsumoto, K.","Di-(μ-pyrazolato-<i>N</i>:<i>N</i>')-bis[(2,2'-bipyridine-<i>N</i>,<i>N</i>')platinum(II)] Bis(tetrafluoroborate) Monohydrate","Acta Crystallographica Section C","1996","52","4","783","786","10.1107/S0108270195014326","","","0.71069","MoKα","","","0.0577","","","0.0334","","","","","1.84","1.84","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004782","11.494","0.001","6.263","0.001","12.479","0.001","90","","111.01","0.01","90","","838.6","0.18","298","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C40 H40 N4 O4 -","2","1","MU1207","Vencato, I.; Neves, A.; Ceccato, A. S.; Horn, Jnr, A.","<i>N</i>,<i>N</i>-Bis(2-hydroxybenzyl)-<i>N</i>-(2-pyridylmethyl)amine, H~2~BBPA","Acta Crystallographica Section C","1996","52","4","949","951","10.1107/S0108270195014739","","","0.71073","MoKα","","0.129","0.073","","","0.074","","","","","0.99","0.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004783","12.67","0.01","15.73","0.01","17.471","0.009","90","","102.76","0.05","90","","3396","4","150","","423.2","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C31 H44 Cl2 O2 P4 Pt -","- C31 H44 Cl2 O2 P4 Pt -","- C124 H176 Cl8 O8 P16 Pt4 -","4","1","MU1219","Chiffey, A. F.; Evans, J.; Levason, W.; Reid, G.","[Pt(PMe~3~)~2~(dppm)]Cl~2~.2H~2~O [dppm = Bis(diphenylphosphino)methane]","Acta Crystallographica Section C","1996","52","4","799","801","10.1107/S0108270195014570","","","0.71073","MoKα","","0.097","0.071","","0.083","0.08","","","","4.07","4.28","4.28","","","","","has coordinates","208382","2020-10-21","18:00:00",""
"2004784","6.992","0.003","13.356","0.005","9.521","0.003","90","","104.05","0.03","90","","862.5","0.6","150","","423.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 Mo O10 P2 -","- C10 H18 Mo O10 P2 -","- C20 H36 Mo2 O20 P4 -","2","0.5","MU1224","Champness, N. R.; Hopkins, A. M.; Reid, G.","<i>trans</i>-[Mo(CO)~4~{P(OMe)~3~}~2~]","Acta Crystallographica Section C","1996","52","4","797","799","10.1107/S010827019501479X","","","0.71073","MoKα","","0.0314","0.029","","0.0365","0.0363","","","","2.87","3.083","3.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004785","10.224","0.001","21.514","0.002","10.23","0.001","90","","90","","90","","2250.2","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dimethylbis(O-cyclohexyldithiocarbonato)tin(IV).","","- C16 H28 O2 S4 Sn -","- C16 H28 O2 S4 Sn -","- C64 H112 O8 S16 Sn4 -","4","0.5","MU1227","Mohamed-Ibrahim, M. I.; Khor, C.-K.; Fun, H.-K.; Sivakumar, K.","Bis(<i>O</i>-cyclohexyl dithiocarbonato)dimethyltin(IV)","Acta Crystallographica Section C","1996","52","4","845","846","10.1107/S0108270195015009","","","0.71073","MoKα","","0.0749","0.0668","","0.1605","0.1577","","","","1.157","1.245","1.245","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004786","14.04","0.001","10.222","0.001","25.699","0.003","90","","93.63","0.01","90","","3680.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Pyrrolidinedithiocarbamatobis(triphenylphosphine)silver(I).","","- C41 H38 Ag N P2 S2 -","- C41 H38 Ag N P2 S2 -","- C164 H152 Ag4 N4 P8 S8 -","4","1","MU1228","Othman, A. H.; Fun, H.-K.; Sivakumar, K.","(<i>N</i>-Pyrrolidinecarbodithioato-<i>S</i>,<i>S</i>')bis(triphenylphosphine)silver(I)","Acta Crystallographica Section C","1996","52","4","843","845","10.1107/S0108270195014806","","","0.71073","MoKα","","0.0589","0.041","","0.1763","0.1111","","","","1.032","1.104","1.104","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004787","7.162","0.001","20.033","0.002","10.611","0.001","90","","107.21","0.01","90","","1454.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","p-Methoxybenzaldehyde Nictonylhydrazone Dihydrate.","","- C14 H17 N3 O4 -","- C14 H17 N3 O4 -","- C56 H68 N12 O16 -","4","1","MU1230","Fun, H.-K.; Sivakumar, K.; Lu, Z.-L.; Duan, C.-Y.; Tian, Y.-P.; You, X.-Z.","<i>p</i>-Methoxybenzaldehyde Nicotinoylhydrazone Dihydrate","Acta Crystallographica Section C","1996","52","4","986","988","10.1107/S010827019501540X","","","0.71073","MoKα","","0.0603","0.0466","","0.1426","0.1345","","","","1.063","1.181","1.181","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004788","6.11","0.001","14.106","0.001","16.609","0.0009","90","","90","","90","","1431.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-phenyl-4,5-dimethoxy-2,7,8,9-tetrahydroisoquinolinium","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C68 H76 N4 O8 -","4","1","NA1134","","X-ray Structure Investigations of Potential β-Blockers. II. 6,7-Dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline","Acta Crystallographica C","1996","52","","1038","1040","10.1107/S0108270195013606","","","1.54178","CuKα","","0.0603","0.0429","","0.1221","0.1055","","","","1.276","1.275","1.275","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004789","13.718","0.001","7.4307","0.0003","18.4638","0.0009","90","","91.524","0.005","90","","1881.43","0.18","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichloro-bis(nicotinamide-N^1^-acetato)zinc(II)","","- C16 H16 Cl2 N4 O6 Zn -","- C16 H16 Cl2 N4 O6 Zn -","- C64 H64 Cl8 N16 O24 Zn4 -","4","0.5","NA1184","Zelenák, V.; Györyová, K.; Císarová, I.; Loub, J.","Dichlorobis(nicotinamide-<i>N</i>^1^-acetate-<i>O</i>)zinc(II)","Acta Crystallographica Section C","1996","52","4","808","810","10.1107/S0108270195015186","","","0.71073","MoKα","","0.0275","0.0234","","0.0617","0.0599","","","","1.061","1.081","1.081","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2004790","6.595","0.002","9.964","0.002","17.821","0.002","90","","94.76","0.02","90","","1167","0.4","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 N2 O4 Sn2 -","- C18 H24 N2 O4 Sn2 -","- C36 H48 N4 O8 Sn4 -","2","0.5","NA1192","Stocco, G.; Guli, G.; Girasolo, M. A.; Bruno, G.; Nicolò, F.; Scopelliti, R.","Poly[<i>trans</i>-bis{trimethyltin(IV)}-μ-(2,2'-bipyridyl-4,4'-dicarboxylato-<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')]. A Layered Structure Composed of Sheets Interconnected by Organometallic Moieties","Acta Crystallographica Section C","1996","52","4","829","832","10.1107/S0108270195013400","","","0.71073","MoKα","","","0.0219","","","0.0295","","","","","1.09","1.09","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004791","7.569","0.001","11.557","0.002","12.158","0.003","61.84","0.01","88.74","0.02","84.59","0.01","933.2","0.3","293","","","","","","","","","","","8","P -1","-P 1","2","","","","- C15 H17 F6 N2 O P Pt S -","- C15 H17 F6 N2 O P Pt S -","- C30 H34 F12 N4 O2 P2 Pt2 S2 -","2","1","NA1193","Bruno, G.; Nicolò, F.; Scopelliti, R.; Arena, G.","(Dimethyl sulfoxide-<i>S</i>)methyl(1,10-phenanthroline-<i>N</i>,<i>N</i>')platinum(II) Hexafluorophosphate","Acta Crystallographica Section C","1996","52","4","827","829","10.1107/S0108270195013394","","","0.71073","MoKα","","","0.0213","","","0.0497","","","","","1.017","1.017","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004792","11.388","0.004","19.834","0.006","13.009","0.005","90","","112.18","0.03","90","","2720.9","1.7","293","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 Br N O3 P2 Re -","- C27 H20 Br N O3 P2 Re -","- C108 H80 Br4 N4 O12 P8 Re4 -","4","1","NA1196","Graziani, R.; Casellato, U.","[Bis(diphenylphosphino)amine-<i>P</i>,<i>P</i>']bromotricarbonylrhenium(I), [ReBr(CO)~3~{NH(PPh~2~)~2~}]","Acta Crystallographica Section C","1996","52","4","850","852","10.1107/S0108270195012844","","","0.71073","MoKα","","","0.042","","","0.042","","","","","3.69","3.69","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004793","7.2894","0.0009","14.221","0.004","17.324","0.005","106.49","0.03","99.47","0.02","93.37","0.01","1687.9","0.8","293","","293","","","","","","","","","5","P -1","-P 1","2","Bis(trietanolamine)Ca(II) 3,5-dinitribenzoate","Bis(trietanolamine)Ca(II) 3,5-dinitribenzoate","","- C26 H36 Ca N6 O18 -","- C26 H36 Ca N6 O18 -","- C52 H72 Ca2 N12 O36 -","2","1","NA1201","","Bis(triethanolamine)calcium 3,5-Dinitrobenzoate","Acta Crystallographica C","1996","52","","789","792","10.1107/S010827019501434X","","","0.71069","MoKα","","0.123","0.062","","0.116","0.08","","","","1.057","1.115","1.115","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004794","9.648","0.002","21.24","0.01","5.925","0.003","94.23","0.04","106.93","0.03","86.66","0.03","1157.5","0.9","293","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C60 H44 N4 O8 -","4","2","NA1203","Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.","7-Amino-3-phenylcoumarin","Acta Crystallographica Section C","1996","52","4","899","901","10.1107/S0108270195014818","","","1.54184","CuKα","","","0.058","","","0.075","","","","","3.45","3.45","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004795","8.286","0.002","6.824","0.004","11.755","0.004","110.9","0.04","92.05","0.02","92.37","0.04","619.5","0.5","293","","293","","","","","","","","","4","P -1","-P 1","2","","2,8-dimethyl-5,11-dipropyl-4,5,6,10,11,12-hexahydro-imidazo[4,5-h]- imidazo[4,5-c][1,6]diazecine","","- C18 H42 N6 O6 -","- C18 H42 N6 O6 -","- C18 H42 N6 O6 -","1","0.5","NS1004","Mendoza-Díaz, G.; Driessen, W. L.; Reedijk, J.","2,8-Dimethyl-5,11-dipropyl-1,4,5,6,7,10,11,12-octahydroimidazo[4,5-<i>h</i>]imidazo[4,5-<i>c</i>][1,6]diazecine Hexahydrate","Acta Crystallographica Section C","1996","52","4","960","962","10.1107/S0108270195011425","","","0.71073","MoKα","","0.132","0.054","","0.065","0.058","","","","1.781","2.469","2.469","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004797","6.847","0.001","10.429","0.002","13.655","0.002","90","","90","","90","","975.1","0.3","293","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C3 H9 Br2.116 Cd Cl0.884 O S -","- C3 H9 Cd Cl3 O S -","- C12 H36 Cd4 Cl12 O4 S4 -","4","0.5","PA1189","De Brauer, C.; Kolinsky, C.; Jannin, M.; Puget, R.","Trimethyloxosulfonium Salts. IX. Study of some Mixed Compounds, (CH~3~)~3~SOCdCl~3{-~<i>x</i>}Br~<i>x~</i>","Acta Crystallographica Section C","1996","52","4","812","817","10.1107/S0108270195011565","","","0.71073","MoKα","","","0.0113","","","0.0133","","","","","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004798","6.825","0.001","10.415","0.002","13.63","0.002","90","","90","","90","","968.9","0.3","293","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C3 H9 Br1.787 Cd Cl1.213 O S -","- C3 H9 Cd Cl3 O S -","- C12 H36 Cd4 Cl12 O4 S4 -","4","0.5","PA1189","De Brauer, C.; Kolinsky, C.; Jannin, M.; Puget, R.","Trimethyloxosulfonium Salts. IX. Study of some Mixed Compounds, (CH~3~)~3~SOCdCl~3{-~<i>x</i>}Br~<i>x~</i>","Acta Crystallographica Section C","1996","52","4","812","817","10.1107/S0108270195011565","","","0.71073","MoKα","","","0.015","","","0.017","","","","","1.29","1.29","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004799","6.782","0.001","10.335","0.002","13.572","0.002","90","","90","","90","","951.3","0.3","293","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C3 H9 Br1.183 Cd Cl1.817 O S -","- C3 H9 Cd Cl3 O S -","- C12 H36 Cd4 Cl12 O4 S4 -","4","0.5","PA1189","De Brauer, C.; Kolinsky, C.; Jannin, M.; Puget, R.","Trimethyloxosulfonium Salts. IX. Study of some Mixed Compounds, (CH~3~)~3~SOCdCl~3{-~<i>x</i>}Br~<i>x~</i>","Acta Crystallographica Section C","1996","52","4","812","817","10.1107/S0108270195011565","","","0.71073","MoKα","","","0.0109","","","0.0126","","","","","0.82","0.82","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004800","6.765","0.001","10.304","0.002","13.544","0.002","90","","90","","90","","944.1","0.3","293","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C3 H9 Br0.962 Cd Cl2.038 O S -","- C3 H9 Cd Cl3 O S -","- C12 H36 Cd4 Cl12 O4 S4 -","4","0.5","PA1189","De Brauer, C.; Kolinsky, C.; Jannin, M.; Puget, R.","Trimethyloxosulfonium Salts. IX. Study of some Mixed Compounds, (CH~3~)~3~SOCdCl~3{-~<i>x</i>}Br~<i>x~</i>","Acta Crystallographica Section C","1996","52","4","812","817","10.1107/S0108270195011565","","","0.71073","MoKα","","","0.0107","","","0.012","","","","","0.88","0.88","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004801","6.744","0.001","10.253","0.002","13.517","0.002","90","","90","","90","","934.6","0.3","293","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C3 H9 Br0.607 Cd Cl2.393 O S -","- C3 H9 Cd Cl3 O S -","- C12 H36 Cd4 Cl12 O4 S4 -","4","0.5","PA1189","De Brauer, C.; Kolinsky, C.; Jannin, M.; Puget, R.","Trimethyloxosulfonium Salts. IX. Study of some Mixed Compounds, (CH~3~)~3~SOCdCl~3{-~<i>x</i>}Br~<i>x~</i>","Acta Crystallographica Section C","1996","52","4","812","817","10.1107/S0108270195011565","","","0.71073","MoKα","","","0.01","","","0.0113","","","","","0.84","0.84","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004802","6.716","0.001","10.192","0.002","13.476","0.002","90","","90","","90","","922.4","0.3","293","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C3 H9 Br0.286 Cd Cl2.714 O S -","- C3 H9 Cd Cl3 O S -","- C12 H36 Cd4 Cl12 O4 S4 -","4","0.5","PA1189","De Brauer, C.; Kolinsky, C.; Jannin, M.; Puget, R.","Trimethyloxosulfonium Salts. IX. Study of some Mixed Compounds, (CH~3~)~3~SOCdCl~3{-~<i>x</i>}Br~<i>x~</i>","Acta Crystallographica Section C","1996","52","4","812","817","10.1107/S0108270195011565","","","0.71073","MoKα","","","0.0106","","","0.013","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004803","11.513","0.002","9.806","0.003","14.78","0.004","90","","91.9","0.02","90","","1667.7","0.7","294","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O S3 -","- C17 H15 N O S3 -","- C68 H60 N4 O4 S12 -","4","1","PA1196","Morgant, G.; Labouze, X.; Viossat, B.; Lancelot, J.-C.; Nguyen Huy Dung","2-(2-Aminophénylthio)-2-(2-thiényl)éthyl 2-Thiényl Cétone","Acta Crystallographica Section C","1996","52","4","923","925","10.1107/S0108270195011553","","","0.71073","MoKα","","","0.047","","","0.044","","","","","0.99","0.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004804","18.285","0.002","7.726","0.001","16.927","0.002","90","","102.15","0.01","90","","2337.7","0.5","293","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 O4 -","- C15 H10 O4 -","- C120 H80 O32 -","8","1","PA1197","Molins, E.; Miravitlles, C.; Wallet, J.-C.; Gaydou, E. M.","2',6'-Dihydroxyflavone and a New Polymorph of 2'-Hydroxyflavonol","Acta Crystallographica Section C","1996","52","4","925","929","10.1107/S0108270195013679","","","0.71073","MoKα","","","0.0424","","","0.129","","","","","0.786","0.786","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004805","6.033","0.001","8.209","0.003","23.091","0.005","90","","93.55","0.01","90","","1141.4","0.5","294","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 O4 -","- C15 H10 O4 -","- C60 H40 O16 -","4","1","PA1197","Molins, E.; Miravitlles, C.; Wallet, J.-C.; Gaydou, E. M.","2',6'-Dihydroxyflavone and a New Polymorph of 2'-Hydroxyflavonol","Acta Crystallographica Section C","1996","52","4","925","929","10.1107/S0108270195013679","","","0.71073","MoKα","","","0.04","","","0.05","","","","","1.58","1.58","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004806","11.507","0.006","12.179","0.001","7.928","0.01","90","","90.03","0.03","90","","1111.1","1.5","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N4 O2 -","- C10 H12 N4 O2 -","- C40 H48 N16 O8 -","4","1","PA1204","Fettouhi, M.; Boukhari, A.; El Otmani, B.; Essassi, E. M.","7-Ethoxycarbonylmethyl-5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine","Acta Crystallographica Section C","1996","52","4","1031","1032","10.1107/S0108270195013680","","","0.71073","MoKα","","","0.041","","","0.059","","","","","1.55","1.55","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004807","5.892","0.003","8.48","0.003","11.509","0.009","90","","90","","90","","575","0.6","120","","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","5-Amino-1,2-dimethylimidazole","5-Amino-1,2-dimethylimidazole","","- C5 H9 N3 -","- C5 H9 N3 -","- C20 H36 N12 -","4","1","PA1207","Jones, R. H.; Lothian, A. P.; Ramsden, C. A.","5-Amino-1,2-dimethylimidazole","Acta Crystallographica Section C","1996","52","4","982","984","10.1107/S0108270195011711","","","0.71069","MoKα","","0.0862","0.0365","","0.0723","0.0569","","","","0.623","0.708","0.708","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004808","5.931","0.002","20.811","0.003","12.479","0.001","90","","98.68","0.03","90","","1522.6","0.6","298","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 N4 O2 -","- C36 H38 N4 O2 -","- C72 H76 N8 O4 -","2","0.5","PT1018","Gunasekaran, K.; Govindasamy, L.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Karunakaran, S.; Kandaswamy, M.","2,2'-Piperazin-1,4-diyldimethylenebis[6-(benzyliminomethyl)-4-methylphenol]","Acta Crystallographica Section C","1996","52","4","1027","1028","10.1107/S0108270195010420","","","1.5418","CuKα","","","0.05","","","0.06","","","","","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004809","8.232","0.002","11.599","0.003","12.996","0.004","90","","105.85","0.02","90","","1193.7","0.6","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 B F4 N3 -","- C10 H12 B F4 N3 -","- C40 H48 B4 F16 N12 -","4","1","PT1023","Jones, R. A.; Powell, A. K.; Whitmore, A. P.","Identification of the <i>N</i>-Alkylation Product of 3-(2-Pyrrolyl)pyridazine","Acta Crystallographica Section C","1996","52","4","1002","1003","10.1107/S0108270195015307","","","0.71073","MoKα","","","0.061","","","0.105","","","","","1.17","1.17","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004810","4.829","0.001","5.843","0.001","13.61","0.002","83.39","0.01","86.16","0.01","82.63","0.02","377.78","0.12","293","","","","","","","","","","","4","P 1","P 1","1","","","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","1","1","PT1033","Aakeröy, C. B.; Nieuwenhuyzen, M.","4-Methylbenzylammonium 4-Methylbenzylcarbamate","Acta Crystallographica Section C","1996","52","4","957","960","10.1107/S0108270195013849","","","0.71073","MoKα","","","0.0658","","","0.1714","","","","","1.039","1.039","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004811","14.663","0.002","16.773","0.003","24.441","0.003","90","","97.3","0.01","90","","5962.4","1.5","296","1","296","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H66 As6 Cl3 F3 O3 Ru2 S -","- C49 H66 As6 Cl3 F3 O3 Ru2 S -","- C196 H264 As24 Cl12 F12 O12 Ru8 S4 -","4","1","TA1055","Heath, G. A.; Hockless, D. C. R.; Yeomans, B. D.","Two `Ruthenium-Blue' Precursors: Tri-μ-chloro-hexakis(dimethylphenylarsine)diruthenium(II) Trifluoromethanesulfonate and Tri-μ-bromo-hexakis(trimethylarsine)diruthenium(II) Trifluoromethanesulfonate","Acta Crystallographica Section C","1996","52","4","854","858","10.1107/S0108270195012534","","","0.7107","MoKα","","","0.054","","","0.055","","","","","3.03","3.03","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004812","10.67","0.004","14.742","0.004","26.253","0.003","90","","91.14","0.02","90","","4129","2","296","1","296","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C19 H54 As6 Br3 F3 O3 Ru2 S -","- C19 H54 As6 Br3 F3 O3 Ru2 S -","- C76 H216 As24 Br12 F12 O12 Ru8 S4 -","4","1","TA1055","Heath, G. A.; Hockless, D. C. R.; Yeomans, B. D.","Two `Ruthenium-Blue' Precursors: Tri-μ-chloro-hexakis(dimethylphenylarsine)diruthenium(II) Trifluoromethanesulfonate and Tri-μ-bromo-hexakis(trimethylarsine)diruthenium(II) Trifluoromethanesulfonate","Acta Crystallographica Section C","1996","52","4","854","858","10.1107/S0108270195012534","","","0.7107","MoKα","","","0.034","","","0.025","","","","","1.46","1.46","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004813","10.74","0.002","35.173","0.005","10.057","0.002","90","","90","","90","","3799.1","1.2","296","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H44 N4 O8 -","- C40 H44 N4 O8 -","- C160 H176 N16 O32 -","4","1","TA1063","Iijima, K.; Irikawa, H.","Trichotomine Dimethyl Ester","Acta Crystallographica Section C","1996","52","4","1003","1006","10.1107/S0108270195015344","","","1.54178","CuKα","","","0.0493","","","0.0514","","","","","1","1","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004814","7.8849","0.0012","8.2625","0.0015","9.975","0.002","86.11","0.02","66.88","0.02","65.741","0.013","541.5","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","7-nitro-8-hydroxyquinoline-5-sulfonic acid monohydrate","","- C9 H8 N2 O7 S -","- C9 H8 N2 O7 S -","- C18 H16 N4 O14 S2 -","2","1","VJ1030","Balasubramanian, T. P.; Thomas Muthiah, P.","8-Hydroxy-7-nitroquinoline-5-sulfonic Acid Monohydrate","Acta Crystallographica Section C","1996","52","4","1017","1019","10.1107/S010827019501170X","","","0.71073","MoKα","","0.0356","0.0302","","0.0818","0.0783","","","","1.084","1.101","1.101","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004815","10.518","0.002","12.932","0.002","15.048","0.002","90","","97.99","0.02","90","","2026.9","0.6","293","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N2 O7 -","- C23 H22 N2 O7 -","- C92 H88 N8 O28 -","4","1","VJ1032","","4-[(1-Cyclohexenyl)nitromethyl]-2-(3,4-methylenedioxyphenyl)-3-nitro- 3,4-dihydro-2H-1-benzopyran\δag","Acta Crystallographica C","1996","52","","1036","1038","10.1107/S0108270195013515","","","0.71073","MoKα","","","0.038","","","0.095","","","","","1.172","1.172","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004816","27.253","0.003","6.701","0.005","19.306","0.003","90","","119.782","0.009","90","","3060","2","294.2","","294.2","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 N2 S2 -","- C14 H22 N2 S2 -","- C112 H176 N16 S16 -","8","1","VJ1034","Hussain, Z.; Fleming, F. F.; Norman, R. E.; Chang, S.-C.","3-Cyano-1-[4-(1,3-dithian-2-yl)butyl]-1,4,5,6-tetrahydropyridine","Acta Crystallographica Section C","1996","52","4","1010","1012","10.1107/S010827019501345X","","","0.7107","MoKα","","","0.0474","","","0.0578","","","","","1.868","1.868","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004817","8.2498","0.0009","15.046","0.002","16.45","0.001","90","","90","","90","","2041.9","0.4","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H29 Ca Cl O16 -","- C12 H29 Ca Cl O16 -","- C48 H116 Ca4 Cl4 O64 -","4","1","AB1260","Wieczorek, M. W.; Błaszczyk, J.; Król, B. W.","Effects of Cation Interactions on Sugar Anion Conformation in Complexes of Lactobionate and Gluconate with Calcium, Sodium or Potassium","Acta Crystallographica Section C","1996","52","5","1193","1198","10.1107/S0108270195011930","","","1.54184","CuKα","","","0.0515","","","0.0595","","","","","0.788","0.788","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004818","8.7037","0.0009","8.7037","0.0009","21.055","0.002","90","","90","","90","","1595","0.3","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 K O12 -","- C12 H21 K O12 -","- C48 H84 K4 O48 -","4","1","AB1260","Wieczorek, M. W.; Błaszczyk, J.; Król, B. W.","Effects of Cation Interactions on Sugar Anion Conformation in Complexes of Lactobionate and Gluconate with Calcium, Sodium or Potassium","Acta Crystallographica Section C","1996","52","5","1193","1198","10.1107/S0108270195011930","","","1.54184","CuKα","","","0.0409","","","0.0492","","","","","0.823","0.823","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004819","9.2358","0.0009","10.4021","0.0006","16.7994","0.0005","90","","90","","90","","1613.95","0.19","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H23 Na O13 -","- C12 H23 Na O13 -","- C48 H92 Na4 O52 -","4","1","AB1260","Wieczorek, M. W.; Błaszczyk, J.; Król, B. W.","Effects of Cation Interactions on Sugar Anion Conformation in Complexes of Lactobionate and Gluconate with Calcium, Sodium or Potassium","Acta Crystallographica Section C","1996","52","5","1193","1198","10.1107/S0108270195011930","","","1.54184","CuKα","","","0.032","","","0.0574","","","","","1.358","1.358","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004820","12.4263","0.0007","7.6563","0.0009","11.094","0.001","90","","102.073","0.006","90","","1032.13","0.17","293","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H32 Ca O19 -","- C12 H32 Ca O19 -","- C24 H64 Ca2 O38 -","2","0.5","AB1260","Wieczorek, M. W.; Błaszczyk, J.; Król, B. W.","Effects of Cation Interactions on Sugar Anion Conformation in Complexes of Lactobionate and Gluconate with Calcium, Sodium or Potassium","Acta Crystallographica Section C","1996","52","5","1193","1198","10.1107/S0108270195011930","","","1.54184","CuKα","","","0.0264","","","0.0425","","","","","1.765","1.765","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004821","8.4502","0.0009","12.616","0.002","18.219","0.003","90","","92.304","0.009","90","","1940.7","0.5","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cl2 O2 Pt S2 -","- C16.12 H20.1 Cl2 O2 Pt S2 -","- C64.48 H80.4 Cl8 O8 Pt4 S8 -","4","1","AB1300","Ebbighausen, J.; Farrell, N.; Lövqvist, K.; Oskarsson, Å.","<i>cis</i>-(<i>R</i>,<i>S</i>)-Bis(benzyl methyl sulfoxide)dichloroplatinum(II)","Acta Crystallographica Section C","1996","52","5","1091","1093","10.1107/S0108270195015733","","","0.7107","MoKα","","","0.0529","","","0.0521","","","","","1.776","1.776","","","","","has coordinates,has disorder","192023","2020-10-21","18:00:00",""
"2004822","16.051","0.002","4.6538","0.001","9.9373","0.0012","90","","106.484","0.009","90","","711.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DL-GLUTAMINE","DL-GLUTAMINE","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","AB1304","Suresh, S.; Padmanabhan, S.; Vijayan, M.","<small>DL</small>-Glutamine","Acta Crystallographica Section C","1996","52","5","1313","1316","10.1107/S0108270195013771","","","0.71068","MoKα","","0.0619","0.0406","","0.1304","0.1185","","","","1.108","1.153","1.153","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004823","8.681","0.003","11.772","0.002","23.73","0.006","90","","95.8","0.2","90","","2412.6","1.4","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 N4 O16 Zn2 -","- C48 H52 N4 O16 Zn2 -","- C96 H104 N8 O32 Zn4 -","2","0.5","AB1306","Hökelek, T.; Necefouglu, H.","Bis(μ-4-hydroxybenzoato-<i>O</i>:<i>O</i>')bis[(<i>N</i>,<i>N</i>-diethylnicotinamide-<i>N</i>^1^)(4-hydroxybenzoato-<i>O</i>)zinc(II)] Dihydrate","Acta Crystallographica Section C","1996","52","5","1128","1131","10.1107/S0108270195015976","","","0.71069","MoKα","","","0.0328","","","0.0396","","","","","1.34","1.34","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004824","10.882","0.003","13.295","0.004","10.824","0.002","104.89","0.02","104.95","0.02","68.68","0.02","1386.1","0.7","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H19 Ag3 Cd1.5 N11 O -","- C36 H38 Ag6 Cd3 N22 O2 -","- C36 H38 Ag6 Cd3 N22 O2 -","1","0.5","AB1315","Soma, T.; Iwamoto, T.","Supramolecular Structure of a Cadmium‒Silver Complex Forming a Two-Dimensional Network Embracing One-Dimensional Chains in a Layered Crystal Structure","Acta Crystallographica Section C","1996","52","5","1200","1203","10.1107/S0108270195016118","","","0.71069","MoKα","","","0.0568","","","0.0476","","","","","1.546","1.546","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004825","5.305","0.001","9.486","0.002","11.437","0.003","94.1","0.2","93.8","0.2","93.6","0.2","571.5","0.3","273","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C26 H20 N4 O6 -","2","1","AB1319","Durruthy Carbonell, O.; Hernandez, R. A.; Roque Infante, E. M.; Au-Alvarez, O.","Structure of <i>N</i>-(2-furylmethyl)-α-cyano-2-furanacrylamide. Addendum","Acta Crystallographica Section C","1996","52","5","1318","1318","10.1107/S010827019501612X","","","0.71073","MoKα","","","0.0364","","","0.1003","","","","","1.095","1.095","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2004826","9.242","0.007","12.304","0.008","18.954","0.009","90","","92.74","0.06","90","","2153","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis[dimethyl(2-hydroxyethyl)ammonium] bis[μ-acetato(O,O')- acetato(O,O')-μ-(2-dimethylaminoethanolato-N, μ-O)-μ~3~-oxo-tetraoxo- diuranate(VI)]","","- C24 H56 N4 O22 U4 -","- C24 H56 N4 O22 U4 -","- C48 H112 N8 O44 U8 -","2","0.5","AB1337","Turpeinen, U.; Hämäläinen, R.; Mutikainen, I.; Orama, O.","Bis[(2-hydroxyethyl)dimethylammonium] Bis[μ-acetato-<i>O</i>:<i>O</i>'-acetato-<i>O</i>,<i>O</i>'-μ-(2-dimethylaminoethanolato-<i>N</i>,μ-<i>O</i>)-μ~3~-oxo-tetraoxodiuranate(VI)]","Acta Crystallographica Section C","1996","52","5","1169","1171","10.1107/S0108270196000716","","","0.71069","MoKα","","0.0922","0.0501","","0.0871","0.0834","","","","1.17","1.395","1.395","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004827","26.618","0.009","8.95","0.004","10.889","0.004","90","","90","","90","","2594.1","1.7","293","2","293","2","","","","","","","","8","P b a m","-P 2 2ab","55","","","","- C17 H27 Cl Cu F6 N3 O4 P -","- C17 H27 Cl Cu F6 N3 O6 P -","- C68 H108 Cl4 Cu4 F24 N12 O24 P4 -","4","0.5","AB1348","Alcock, N. W.; Busch, D. H.; Vance, A. L.","A Copper(II) Complex of a Macrocyclic Schiff Base Ligand with a Polyether Bridge","Acta Crystallographica Section C","1996","52","5","1134","1136","10.1107/S0108270196001278","","","0.71073","MoKα","","0.0794","0.0584","","0.1768","0.1554","","","","1.016","1.033","1.033","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004828","12.083","0.003","12.267","0.003","9.967","0.001","90","","89.98","0.02","90","","1477.3","0.5","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","[(R)-1,2-diallyoxycarbonylethyl][bis(dimethylglyoximato)] [(R)-1-phenylethylamine]cobalt(III)","","- C26 H38 Co N5 O8 -","- C26 H38 Co N5 O8 -","- C52 H76 Co2 N10 O16 -","2","1","AS1195","Sato, H.; Sakai, Y.; Ohashi, Y.; Arai, Y.; Ohgo, Y.","[(<i>R</i>)-1,2-Bis(allyloxycarbonyl)ethyl]bis(dimethylglyoximato-<i>N</i>,<i>N</i>')[(<i>R</i>)-1-phenylethylamine]cobalt(III)","Acta Crystallographica Section C","1996","52","5","1086","1089","10.1107/S0108270195014399","","","0.71073","MoKα","","0.045","0.037","","0.102","0.097","","","","1.043","1.058","1.058","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004829","11.934","0.002","16.344","0.004","24.17","0.002","90","","90","","90","","4714.3","1.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","N,N-1,3-Propylenebis(salicylaldimine)bispyridinecobalt(III) tetraphenylborate pyridine solvate.","","- C56 H51 B Co N5 O2 -","- C56 H51 B Co N5 O2 -","- C224 H204 B4 Co4 N20 O8 -","4","1","AS1219","Zhu, D.-R.; You, X.-Z.; Shi, X.-H.; Fun, H.-K.; Sivakumar, K.","[<i>N</i>,<i>N</i>'-1,3-Propylenebis(salicylaldimine)]bis(pyridine)cobalt(III) Tetraphenylborate Pyridine Solvate","Acta Crystallographica Section C","1996","52","5","1146","1148","10.1107/S0108270196000297","","","0.71073","MoKα","","0.0735","0.0453","","0.1184","0.1021","","","","0.932","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004830","12.3735","0.0004","11.4382","0.0004","22.0706","0.0011","90","","97.48","0.003","90","","3097.1","0.2","294","","","","","","","","","","","5","P 1 21/c 1","","","","","","- C31 H28 Cl4 P2 Ru -","- C31 H28 Cl3.986 P2 Ru -","- C124 H112 Cl15.944 P8 Ru4 -","4","1","BK1121","Pearson, W. H.; Shade, J. E.; Brown, J. E.; Bitterwolf, T. E.","Two Monomeric Ruthenium Complexes Containing Bidentate Bis(diphenylphosphino) Ligands","Acta Crystallographica Section C","1996","52","5","1106","1110","10.1107/S0108270195011802","","","0.71073","MoKα","","","0.029","","","0.036","","","","","1.956","1.956","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2004831","15.592","0.004","10.796","0.002","19.676","0.006","90","","109.01","0.01","90","","3131.4","1.4","294","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Cl4 P2 Ru -","- C32 H30 Cl4 P2 Ru -","- C128 H120 Cl16 P8 Ru4 -","4","1","BK1121","Pearson, W. H.; Shade, J. E.; Brown, J. E.; Bitterwolf, T. E.","Two Monomeric Ruthenium Complexes Containing Bidentate Bis(diphenylphosphino) Ligands","Acta Crystallographica Section C","1996","52","5","1106","1110","10.1107/S0108270195011802","","","0.71073","MoKα","","","0.031","","","0.035","","","","","2.562","2.562","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2004832","21.526","0.006","6.447","0.001","12.479","0.002","90","","112.54","0.02","90","","1599.5","0.6","296","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H20 B Co F4 N6 O4 -","- C8 H20 B Co F4 N6 O4 -","- C32 H80 B4 Co4 F16 N24 O16 -","4","0.5","BK1127","Xu, L.; Xu, D.; Xu, Y.; Gu, J.","Diamminebis[dimethylglyoximato(1‒)]cobalt(III) Fluoborate and Perchlorate","Acta Crystallographica Section C","1996","52","5","1119","1122","10.1107/S010827019501568X","","","0.71073","MoKα","","","0.035","","","0.049","","","","","1.48","1.48","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004833","21.56","0.01","6.438","0.001","12.51","0.006","90","","111.87","0.04","90","","1611.5","1.2","296","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H20 Cl Co N6 O8 -","- C8 H20 Cl Co N6 O8 -","- C32 H80 Cl4 Co4 N24 O32 -","4","0.5","BK1127","Xu, L.; Xu, D.; Xu, Y.; Gu, J.","Diamminebis[dimethylglyoximato(1‒)]cobalt(III) Fluoborate and Perchlorate","Acta Crystallographica Section C","1996","52","5","1119","1122","10.1107/S010827019501568X","","","0.71073","MoKα","","","0.049","","","0.055","","","","","1.81","1.81","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004834","13.0354","0.0008","6.3471","0.0005","15.8833","0.0014","90","","107.217","0.006","90","","1255.25","0.17","168","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Cl2 S2 -","- C30 H24 Cl2 S2 -","- C60 H48 Cl4 S4 -","2","0.5","BK1148","Freeman, F.; Lu, H.; Ziller, J. W.","(1<i>Z</i>,3<i>Z</i>)-1,4-Diphenyl-1,4-bis(3-chlorophenylmethylthio)buta-1,3-diene","Acta Crystallographica Section C","1996","52","5","1207","1209","10.1107/S0108270195012108","","","0.71073","MoKα","","","0.043","","","0.064","","","","","1.61","1.61","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004835","8.2","0.008","13.326","0.009","32.093","0.006","90","","90","","90","","3507","4","294","","","","","","","","","","","5","P b c a","","","","","","- C18 H17 N O5 S -","- C18 H17 N O5 S -","- C144 H136 N8 O40 S8 -","8","1","BK1150","Kumaradhas, P.; Nirmala, K. A.","<i>cis</i>-(±)-3-Acetoxy-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine 1-Oxide","Acta Crystallographica Section C","1996","52","5","1259","1261","10.1107/S0108270195015411","","","0.7093","MoKα","","","0.0455","","","0.1374","","","","","1.205","1.205","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004836","8.752","0.002","27.084","0.005","17.973","0.002","90","","90","","90","","4260.3","1.3","295","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C16 H38 Cl N O4 -","- C16 H38 Cl N O4 -","- C128 H304 Cl8 N8 O32 -","8","1","BK1156","Miguel, O. G.; Pizzolatti, M. G.; Yunes, R. A.; Vencato, I.; Calixto, J. B.; Santos, A. R. S.; Contin, A.; Moreira, E. A.","<i>cis</i>-8,10-Di-<i>n</i>-propyllobelidiol Hydrochloride Dihydrate","Acta Crystallographica Section C","1996","52","5","1223","1225","10.1107/S0108270195014636","","","0.7093","MoKα","","","0.0609","","","0.067","","","","","4.45","4.45","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004837","14.891","0.002","7.3102","0.0011","16.1682","0.001","90","","92.38","0.007","90","","1758.5","0.4","295","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4,4-Dibenzyl-1,4-dihydroisoquinoline","4,4-Dibenzyl-1,4-dihydroisoquinoline","","- C23 H21 N -","- C23 H21 N -","- C92 H84 N4 -","4","1","BK1166","Minter, D. E.; Hinkle, K. W.; Krawiec, M.; Watson, W. H.","4,4-Dibenzyl-1,4-dihydroisoquinoline","Acta Crystallographica Section C","1996","52","5","1236","1238","10.1107/S010827019501599X","","","1.54178","CuKα","","0.0603","0.0603","","0.1022","0.1022","","","","2.26","2.26","2.26","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004838","8.366","0.001","23.193","0.002","6.854","0.001","90","","90","","90","","1329.9","0.3","294.2","","294.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 N2 S2 -","- C13 H20 N2 S2 -","- C52 H80 N8 S8 -","4","1","BK1172","Hussain, Z.; Fleming, F. F.; Norman, R. E.; Chang, S.-C.","(9<i>S</i>,9a<i>R</i>)-1,3,4,6,7,8,9,9a-Octahydro-2<i>H</i>-quinolizine-1-spiro-2'-(1',3'-dithiane)-9-carbonitrile","Acta Crystallographica Section C","1996","52","5","1296","1298","10.1107/S0108270195014016","","","0.7107","MoKα","","","0.0316","","","0.0278","","","","","1.646","1.646","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004839","9.045","0.001","29.148","0.003","8.6766","0.0003","90","","90","","90","","2287.5","0.4","163","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 N2 O5 -","- C23 H34 N2 O5 -","- C92 H136 N8 O20 -","4","1","BK1181","Khalil, S.; Hossain, M. B.; van der Helm, D.; Alam, M.; Sanduja, R.","A Pyrazoline Derivative of Eunicin Acetate","Acta Crystallographica Section C","1996","52","5","1272","1274","10.1107/S0108270195016003","","","1.54184","CuKα","","","0.045","","","0.048","","","","","1.5","1.5","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004840","11.276","0.002","16.599","0.003","7.516","0.002","99.29","0.02","101.75","0.02","98.76","0.01","1334","0.5","296","","296","","","","","","","","","4","P -1","-P 1","2","Pamoic acid . 2pyridine","","","- C33 H26 N2 O6 -","- C33 H26 N2 O6 -","- C66 H52 N4 O12 -","2","1","BK1191","Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.","Bis(pyridinium) Pamoate","Acta Crystallographica Section C","1996","52","5","1269","1272","10.1107/S0108270195015691","","","0.71073","MoKα","","","0.045","","","0.053","","","","","1.8","1.8","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004841","7.428","0.002","17.376","0.002","7.632","0.002","90","","116.67","0.01","90","","880.3","0.4","296.2","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","copper(II) 4-aminobenzenesulfonate tetrahydrate","","- C12 H20 Cu N2 O10 S2 -","- C12 H20 Cu N2 O10 S2 -","- C24 H40 Cu2 N4 O20 S4 -","2","0.5","BK1192","Gunderman, B. J.; Squattrito, P. J.; Dubey, S. N.","Copper and Manganese Sulfanilate Hydrates","Acta Crystallographica Section C","1996","52","5","1131","1134","10.1107/S0108270195015150","","","0.7107","MoKα","","0.0348","0.025","","0.0288","0.028","","","","","2.46","2.46","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004842","5.91","0.003","7.103","0.003","18.79","0.002","90","","94.77","0.02","90","","786","0.5","296.2","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","manganese(II) 4-aminobenzenesulfonate dihydrate","","- C12 H16 Mn N2 O8 S2 -","- C12 H16 Mn N2 O8 S2 -","- C24 H32 Mn2 N4 O16 S4 -","2","0.5","BK1192","Gunderman, B. J.; Squattrito, P. J.; Dubey, S. N.","Copper and Manganese Sulfanilate Hydrates","Acta Crystallographica Section C","1996","52","5","1131","1134","10.1107/S0108270195015150","","","0.7107","MoKα","","0.052","0.028","","0.0384","0.027","","","","","1.69","1.69","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004843","8.5033","0.0008","8.8856","0.0006","10.773","0.001","101.29","0.01","97.7","0.01","118.42","0.01","677.24","0.14","299","","","","","","","","","","","3","P 1","P 1","1","","azuleno[4,5-b]furan-2(3H)-one, 3a,4,5,7,8,9,9a,9b-octahydro-9-hydroxy- 3,6,9-trimethyl-[3S-(3α,3aα,9α,9aα,9bβ)]","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","2","BK1193","Castañeda-Acosta, J.; Fischer, N. H.; Fronczek, F. R.","The Guaianolide 11β<i>H</i>,13-Dihydromicheliolide","Acta Crystallographica Section C","1996","52","5","1263","1266","10.1107/S0108270195015435","","","0.71073","Mo-Kα","","","0.04","","","0.048","","","","","2.72","2.72","","","","","has coordinates","208347","2020-10-21","18:00:00",""
"2004844","8.366","0.002","9.43","0.002","9.642","0.002","93.62","0.03","103.22","0.03","91.24","0.03","738.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","tetrahydrogen 1,2-bis(1,4,7-triaza-1-cyclononyl)ethane tetrachlorocad mate'","","- C14 H36 Cd2 Cl8 N6 -","- C14 H36 Cd2 Cl8 N6 -","- C14 H36 Cd2 Cl8 N6 -","1","0.5","BK1194","Zompa, L. J.; Haidar, R.","Tetrahydrogen 1,2-Bis(1,4,7-triaza-1-cyclononyl)ethane Tetrachlorocadmate","Acta Crystallographica Section C","1996","52","5","1188","1190","10.1107/S0108270195015423","","","0.71073","MoKα","","0.0676","0.0487","","0.1425","0.1291","","","","1.084","1.133","1.133","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004845","10.055","0.002","14.974","0.004","17.825","0.005","90","","90","","90","","2683.8","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Hippuryl-L-Histidyl-L-Leucine","","- C21 H37 N5 O10 -","- C21 H37 N5 O10 -","- C84 H148 N20 O40 -","4","1","BK1197","Vrielink, A.; Obel-Jorgensen, A.; Codding, P. W.","Hippuryl-<small>L</small>-histidyl-<small>L</small>-leucine, a Substrate for Angiotensin Converting Enzyme","Acta Crystallographica Section C","1996","52","5","1300","1302","10.1107/S0108270195016180","","","0.71069","MoKα","","0.1192","0.0671","","0.1885","0.1521","","","","0.986","0.986","0.986","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004846","12.0939","0.0007","15.464","0.004","16.854","0.002","90","","105.295","0.006","90","","3040.4","0.9","20","","20","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","bis(pentamethylcyclopentadienyl)tetra(μ-iodo)dimolybdenum(III,IV) tetraiodoferrate(III), inclusion complex with bis(pentamethylcyclopentadienyl)di(μ-iodo)(μ-oxo)diiododimolybdenum(IV)","","- C40 H60 Fe I12 Mo4 O -","- C40 H60 Fe I12 Mo4 O -","- C80 H120 Fe2 I24 Mo8 O2 -","2","0.5","BK1202","Gordon, J. C.; Fanwick, P. E.; Poli, R.","[(η^5^-C~5~Me~5~)~2~Mo~2~(μ-I)~4~]^+^[FeI~4~]^{-^}.[(η^5^-C~5~Me~5~)~2~Mo~2~I~2~(μ-I)~2~(μ-O)]","Acta Crystallographica Section C","1996","52","5","1098","1101","10.1107/S0108270195016283","","","0.71073","MoKα","","0.048","0.048","","","0.063","","","","","1.619","1.619","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004847","7.909","0.003","12.608","0.009","15.303","0.011","112.13","0.04","104.58","0.05","91.52","0.04","1355.4","1.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(1RS,2SR,6SR,7SR,8SR)1-acetoxy-3-oxatricyclo[6.5.0.0^2,7^]tridecan-6,7-diol","","- C14 H22 O5 -","- C14 H22 O5 -","- C56 H88 O20 -","4","2","BM1024","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.","Structural Aspects of the Transposition Reaction of Oxatricyclo[6.5.0.0^2,7^]tridecane-6,7-diol Monomesylate","Acta Crystallographica Section C","1996","52","5","1243","1248","10.1107/S0108270195014417","","","1.54178","CuKα","","0.0714","0.0343","","0.098","0.0845","","","","0.932","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004848","14.815","0.002","14.264","0.002","10.55","0.002","90","","90","","90","","2229.4","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(1SR,2SR,6RS,7RS) 2-acetoxy-10-oxatricyclo[5.3.1.0^2,6^]undecan-11-one","","- C12 H16 O4 -","- C12 H16 O4 -","- C96 H128 O32 -","8","1","BM1024","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.","Structural Aspects of the Transposition Reaction of Oxatricyclo[6.5.0.0^2,7^]tridecane-6,7-diol Monomesylate","Acta Crystallographica Section C","1996","52","5","1243","1248","10.1107/S0108270195014417","","","1.54178","CuKα","","0.059","0.0493","","0.1309","0.1076","","","","1.123","1.119","1.119","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004849","5.177","0.002","6.41","0.001","11.862","0.002","82.05","0.02","79.38","0.02","76.88","0.02","374.88","0.17","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H12 Cu N6 O12 -","- C8 H12 Cu N6 O12 -","- C8 H12 Cu N6 O12 -","1","0.5","BM1036","Tamaki, K.; Okabe, N.","Redetermination of a Copper(II) Complex of Violuric Acid","Acta Crystallographica Section C","1996","52","5","1125","1127","10.1107/S0108270195015496","","","0.7107","MoKα","","","0.051","","","0.052","","","","","1.53","1.53","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004850","9.33","0.001","9.339","0.001","12.805","0.001","82.51","0.01","77.38","0.01","84.75","0.01","1077.2","0.19","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Cr N3 O4 S3 -","- C18 H18 Cr N3 O4 S3 -","- C36 H36 Cr2 N6 O8 S6 -","2","1","BM1038","Wen, T.-B.; Shi, J.-C.; Liu, Q.-T.; Kang, B.-S.; Wu, B.-M.; Mak, T. C. W.","Tris(2-sulfidopyridine <i>N</i>-oxide-<i>O</i>,<i>S</i>)chromium(III) Acetone Solvate (1/1)","Acta Crystallographica Section C","1996","52","5","1204","1206","10.1107/S0108270195014958","","","0.71073","MoKα","","","0.044","","","0.058","","","","","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004851","8.925","0.005","10.301","0.003","8.179","0.004","94.06","0.03","115.89","0.04","98.45","0.03","661.4","0.6","153","","153","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 N O4 S -","- C14 H11 N O4 S -","- C28 H22 N2 O8 S2 -","2","1","BM1042","Brigas, A. F.; Johnstone, R. A. W.","3-(4-Methoxyphenoxy)-1,2-benzisothiazole 1,1-Dioxide: its Relation to Mechanistic Behaviour in Catalytic Transfer Hydrogenolysis","Acta Crystallographica Section C","1996","52","5","1293","1296","10.1107/S0108270195016507","","","0.7107","MoKα","","","0.0358","","","0.0423","","","","","1.609","1.609","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004852","12.709","0.002","12.709","0.002","28.667","0.006","90","","90","","120","","4009.9","1.2","293","2","293","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","Tetramethylammonium trithiobenzoatotin(II)","","- C25 H27 N O3 S3 Sn -","- C25 H26.97 N O3 S3 Sn -","- C150 H161.82 N6 O18 S18 Sn6 -","6","0.333333","BM1045","Vittal, J. J.; Dean, P. A. W.","Tetramethylammonium Tris(thiobenzoato-<i>O</i>,<i>S</i>)tin(II)","Acta Crystallographica Section C","1996","52","5","1180","1182","10.1107/S0108270196000583","","","0.71073","MoKα","","0.0266","0.0251","","0.0635","0.0626","","","","1.056","1.07","1.07","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2004853","7.512","0.002","11.599","0.002","12.928","0.003","90","","102.14","0.03","90","","1101.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","none","Catena-[Triamminezinc(II)-tri-μ-cyano-cyano-dicuprate(I)]","","- C4 H9 Cu2 N7 Zn -","- C4 H9 Cu2 N7 Zn -","- C16 H36 Cu8 N28 Zn4 -","4","1","BR1113","Černák, J.; Kappenstein, C.; Zák, Z.; Chomič, J.","Copper‒Zinc Oxide Catalysts. III. Structure of [Zn(NH~3~)~3~][Cu(CN)~2~]~2~","Acta Crystallographica Section C","1996","52","5","1067","1070","10.1107/S0108270195015654","","","0.71073","MoKα","","0.0901","0.0297","","0.0944","0.0785","","","","0.945","1.081","1.081","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004854","5.034","0.002","13.281","0.002","11.507","0.003","90","","92.04","0.03","90","","768.8","0.4","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Mercury(II) Selenite Hemihydrate","Mercury(II) Selenite - Water (2/1)","","- H2 Hg2 O7 Se2 -","- Hg2 O7 Se2 -","- Hg8 O28 Se8 -","4","1","BR1119","Koskenlinna, M.; Valkonen, J.","Mercury(II) Selenite Hemihydrate","Acta Crystallographica Section C","1996","52","5","1070","1072","10.1107/S0108270195016428","","","0.71073","Mo_Kα","","","0.036","","","0.04","","","","","0.855","0.855","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004855","6.456","0.001","4.969","0.001","14.658","0.002","90","","101.82","0.01","90","","460.26","0.13","294","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","amminemercury(II) selenite","monoamminemercury(II) selenate(IV)","","- H3 Hg N O3 Se -","- Hg N O3 Se -","- Hg4 N4 O12 Se4 -","4","1","BR1136","Koskenlinna, M.; Valkonen, J.; Fröhlich, R.","Amminemercury(II) Selenite","Acta Crystallographica Section C","1996","52","5","1072","1074","10.1107/S0108270195016568","","","0.71073","Mo_Kα","","","0.029","","","0.036","","","","","1.192","1.192","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004856","24.282","0.005","9.544","0.002","7.412","0.0015","90","","106.6","0.03","90","","1646.1","0.6","128","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C7 H15 O3.5 -","- C7 H15 O3.5 -","- C56 H120 O28 -","8","1","CF1021","Murray, R. W.; Singh, M.; Rath, N. P.","Chiral α-Hydroxy Acids: Racemic 2-Hydroxy-2,3,3-trimethylbutanoic Acid and 2-Hydroxy-2-trimethylsilylpropanoic Acid","Acta Crystallographica Section C","1996","52","5","1282","1285","10.1107/S0108270195015769","","","0.71073","MoKα","","0.1571","0.0726","","0.1879","0.1573","","","","0.846","1.086","1.086","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004857","13.141","0.003","13.741","0.003","11.551","0.002","90","","112.36","0.03","90","","1928.9","0.8","298","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 O3 Si -","- C6 H14 O3 Si -","- C48 H112 O24 Si8 -","8","2","CF1021","Murray, R. W.; Singh, M.; Rath, N. P.","Chiral α-Hydroxy Acids: Racemic 2-Hydroxy-2,3,3-trimethylbutanoic Acid and 2-Hydroxy-2-trimethylsilylpropanoic Acid","Acta Crystallographica Section C","1996","52","5","1282","1285","10.1107/S0108270195015769","","","0.71073","MoKα","","0.1327","0.0799","","0.3425","0.2416","","","","1.018","1.239","1.239","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004858","13.314","0.005","10.077","0.005","36.51","0.01","90","","94.85","0.03","90","","4881","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Tris(triphenylphosphine)copper(I) chloride, tetrahydrofuran solvate","Chlorotris(triphenylphosphine)copper(I)-Tetrahydrofuran (1/1)","","- C58 H53 Cl Cu O P3 -","- C58 H53 Cl Cu O P3 -","- C232 H212 Cl4 Cu4 O4 P12 -","4","1","CF1023","Carlson, T. F.; Fackler, Jnr, J. P.; Kresinski, R. A.","Chlorotris(triphenylphosphine)copper(I) Tetrahydrofuran Solvate","Acta Crystallographica Section C","1996","52","5","1117","1119","10.1107/S0108270195012819","","","0.71073","MoKα","","0.1214","0.0609","","0.1372","0.1","","","","0.945","1.14","1.14","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2004859","7.402","0.005","13.172","0.006","13.686","0.006","82.9","0.04","77.85","0.04","86.53","0.04","1293.7","1.2","287","2","287","2","","","","","","","","5","P -1","-P 1","2","","calcium bis(9,10-dihydro-9-oxo-10-acridineacetate) dihydrate","","- C30 H24 Ca N2 O8 -","- C30 H24 Ca N2 O8 -","- C60 H48 Ca2 N4 O16 -","2","1","CF1027","Miernik, D.; Lis, T.","Isomorphous Polymeric Complexes of Ca^2+^ and Pb^2+^ with 9,10-Dihydro-9-oxo-10-acridineacetate (CMA^{-^}) Ligands: [<i>M</i>(CMA)~2~(H~2~O)~2~]","Acta Crystallographica Section C","1996","52","5","1171","1174","10.1107/S0108270195015757","","","1.5418","CuKα","","","0.0307","","","0.0847","","","","","1.066","1.066","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004860","7.637","0.005","13.174","0.007","13.749","0.005","82.35","0.04","78","0.04","85.04","0.05","1338.5","1.3","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","lead(II) bis(9,10-dihydro-9-oxo-10-acridineacetate) dihydrate","","- C30 H24 N2 O8 Pb -","- C30 H20 N2 O8 Pb -","- C60 H40 N4 O16 Pb2 -","2","1","CF1027","Miernik, D.; Lis, T.","Isomorphous Polymeric Complexes of Ca^2+^ and Pb^2+^ with 9,10-Dihydro-9-oxo-10-acridineacetate (CMA^{-^}) Ligands: [<i>M</i>(CMA)~2~(H~2~O)~2~]","Acta Crystallographica Section C","1996","52","5","1171","1174","10.1107/S0108270195015757","","","0.71069","MoKα","","","0.0284","","","0.0724","","","","","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004861","5.466","0.001","6.128","0.001","39.841","0.009","90","","90","","90","","1334.5","0.4","292","2","292","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Dinaphtho[2,1-b.2',3'-d]furan-8-13-dione","","- C20 H10 O3 -","- C20 H10 O3 -","- C80 H40 O12 -","4","1","CF1045","Farrugia, L. J.; Scott, C. F.; Peacock, R. D.","A Naphthofuranoquinone","Acta Crystallographica Section C","1996","52","5","1310","1311","10.1107/S010827019501660X","","","0.71073","MoKα","","0.076","0.0428","","0.14","0.1016","","","","1.088","1.051","1.051","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004862","4.922","0.0005","7.7525","0.0006","16.3663","0.0011","90","","90","","90","","624.5","0.09","294","1","294","1","","","","","","","","3","P 21 c n","P -2n 2a","33","Furan-2,5-dimethanol","Furan-2,5-dimethanol","","- C6 H8 O3 -","- C6 H8 O3 -","- C24 H32 O12 -","4","1","CF1049","Glidewell, C.; Zakaria, C. M.; Ferguson, G.","Multiple Hydrogen-Bonding Modes in Furan-2,5-dimethanol and Furan-2,5-diylbis(diphenylmethanol)","Acta Crystallographica Section C","1996","52","5","1305","1309","10.1107/S0108270195014521","","","0.7107","MoKα","","0.0445","0.0301","","0.0834","0.0783","","","","1.045","1.113","1.113","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004863","9.1669","0.0012","24.06","0.003","41.768","0.004","90","","90","","90","","9212.2","1.9","294","1","294","1","","","","","","","","3","F 2 d d","F -2d 2","43","furan-2,5-diylbis(diphenylmethanol)","furan-2,5-diylbis(diphenylmethanol)","","- C30 H24 O3 -","- C30 H24 O3 -","- C480 H384 O48 -","16","1","CF1049","Glidewell, C.; Zakaria, C. M.; Ferguson, G.","Multiple Hydrogen-Bonding Modes in Furan-2,5-dimethanol and Furan-2,5-diylbis(diphenylmethanol)","Acta Crystallographica Section C","1996","52","5","1305","1309","10.1107/S0108270195014521","","","0.7107","MoKα","","0.0982","0.0394","","0.0989","0.0874","","","","0.93","1.231","1.231","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004864","9.84","0.007","16.198","0.012","5.69","0.004","90","","90","","90","","906.9","1.1","210","2","210","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2,6-dichloro-3,5-dimethoxy-2,5-cyclohexadiene-1,4-dione","","- C8 H6 Cl2 O4 -","- C8 H6 Cl2 O4 -","- C32 H24 Cl8 O16 -","4","0.5","CF1054","Mukherjee, S.; Bisht, K. S.; Parmar, V. S.; Errington, W.","3,5-Dichloro-2,6-dimethoxycyclohexa-2,5-diene-1,4-dione","Acta Crystallographica Section C","1996","52","5","1211","1213","10.1107/S0108270195015745","","","0.71073","MoKα","","0.0361","0.0342","","0.0895","0.0875","","","","1.07","1.086","1.086","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004865","14.157","0.009","9.891","0.006","9.312","0.006","90","","106.85","0.05","90","","1247.9","1.4","210","2","210","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[3-(4-chlorophenyl)-5-thiomethyl-4,5-dihydroisoxazol-5-yl]acetonitrile","","- C12 H11 Cl N2 O S -","- C12 H11 Cl N2 O S -","- C48 H44 Cl4 N8 O4 S4 -","4","1","CF1060","Kumar, N.; Vats, A.; Parmar, V. S.; Errington, W.","[3-(4-Chlorophenyl)-5-methylthio-4,5-dihydro-5-isoxazolyl]acetonitrile","Acta Crystallographica Section C","1996","52","5","1239","1241","10.1107/S0108270195016076","","","0.71073","MoKα","","0.0402","0.0304","","0.0897","0.0746","","","","1.041","1.054","1.054","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2004866","11.952","0.002","6.255","0.001","11.708","0.002","90","","90","","90","","875.3","0.3","292","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C7 H5 N5 O3 -","- C7 H5 N5 O3 -","- C28 H20 N20 O12 -","4","0.5","CR1142","Caracelli, I.; Stamato, F. M. L. G.; Mester, B.; Paulino, M.; Cerecetto, H.","A New Analogue of Nifurtimox","Acta Crystallographica Section C","1996","52","5","1281","1282","10.1107/S0108270195015824","","","0.71073","MoKα","","","0.0417","","","0.0449","","","","","1.68","1.68","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004867","10.234","0.004","6.023","0.002","18.478","0.007","90","","94.55","0.02","90","","1135.4","0.7","295","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H16 Cl10 Cu5 O2 -","- C6 H18 Cl10 Cu5 O2 -","- C12 H36 Cl20 Cu10 O4 -","2","0.5","CR1198","Pon, G.; Willett, R. D.","Redetermination of [Cu~5~Cl~10~(<i>n</i>-C~3~H~7~OH)~2~]","Acta Crystallographica Section C","1996","52","5","1122","1123","10.1107/S0108270195012418","","","1.54178","CuKα","","","0.0682","","","0.0874","","","","","1.43","1.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004868","5.76","0.001","11.043","0.002","18.974","0.001","90","","90","","90","","1206.9","0.3","289","2","289","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,5-anhydro-2,3-dideoxy-2-(guanin-9-yl)-D-arabino-hexitol","","- C11 H15 N5 O4 -","- C11 H15 N5 O4 -","- C44 H60 N20 O16 -","4","1","DE1015","Declercq, R.; Herdewijn, P.; Van Meervelt, L.","1,5-Anhydro-2,3-dideoxy-2-(guanin-9-yl)-<small>D</small>-<i>arabino</i>-hexitol","Acta Crystallographica Section C","1996","52","5","1213","1215","10.1107/S0108270195015101","","","1.54178","CuKα","","0.0366","0.0359","","0.0968","0.0961","","","","1.086","1.096","1.096","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004869","10.1856","0.0001","10.8535","0.0001","23.1658","0.0002","90","","94.77","0.01","90","","2552.1","0.06","300","1","300","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Phenyl) (pyrrolidino) (dicyclohexylamino) phosphiniminocyclotrithiazene","","- C22 H35 N6 P S3 -","- C22 H35 N6 P S3 -","- C88 H140 N24 P4 S12 -","4","1","DE1019","Janaswamy, S.; Sreenivasa Murthy, G.; Mohan, T.; Sudheendra Rao, M. N.","<i>S</i>-[(Dicyclohexylamino)(phenyl)(1-pyrrolidinyl)phosphinimino]cyclotrithiazene","Acta Crystallographica Section C","1996","52","5","1250","1252","10.1107/S0108270195015381","","","0.71069","MoKα","","0.0551","0.0551","","0.147","0.147","","","","1.093","1.093","1.093","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004870","25.234","0.003","5.017","0.004","12.588","0.005","90","","108.83","0.02","90","","1508.3","1.4","296","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H6 Co0.5 N3 O6 -","- C4 H6 Co0.5 N3 O6 -","- C32 H48 Co4 N24 O48 -","8","1","DE1024","Tamaki, K.; Okabe, N.","Diaquabis(5-isonitrosobarbiturato)cobalt(II) Dihydrate","Acta Crystallographica Section C","1996","52","5","1124","1125","10.1107/S0108270195015903","","","0.71069","MoKα","","","0.046","","","0.05","","","","","1.5","1.5","","","","","has coordinates","198476","2020-10-21","18:00:00",""
"2004871","10.197","0.002","9.086","0.002","17.807","0.005","90","","90","","90","","1649.8","0.7","291","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 B N2 P -","- C17 H22 B N2 P -","- C68 H88 B4 N8 P4 -","4","1","DU1093","Brunel, J. M.; Buono, G.; Baldy, A.; Feneau-Dupont, J.; Declercq, J.-P.","(2<i>R</i>,5<i>S</i>)-2,3-Diphenyl-1,3,2-diazaphosphabicyclo[3.3.0]octane‒Borane","Acta Crystallographica Section C","1996","52","5","1316","1317","10.1107/S0108270195013631","","","1.5418","CuKα","","","0.05","","","0.061","","","","","0.47","0.47","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004872","15.32","0.003","7.915","0.001","8.763","0.001","90","","90","","93.5","0.1","1060.6","0.3","293","2","293","2","","","","","","","","5","P 1 1 21/b","-P 2bc","14","","m-Anisidinium Dihydrogenmonoarsenate","","- C7 H12 As N O5 -","- C7 H12 As N O5 -","- C28 H48 As4 N4 O20 -","4","1","DU1130","Abdellahi, M. O.; Jouini, T.","<i>m</i>-Anisidinium Dihydrogenmonoarsenate","Acta Crystallographica Section C","1996","52","5","1198","1200","10.1107/S0108270195012947","","","0.712","MoKα","","0.0707","0.0507","","0.1525","0.1359","","","","1.304","1.331","1.331","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004873","8.786","0.002","9.382","0.002","12.703","0.003","94.89","0.02","103.18","0.02","93.4","0.02","1012.5","0.4","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N4 O S -","- C22 H22 N4 O S -","- C44 H44 N8 O2 S2 -","2","1","DU1140","Toledano, P.; Ait Itto, M. Y.; Hasnaoui, A.","3-Mésityl-6-méthyl-7-méthylthio-4-phényl-6<i>H</i>-isoxazolo[5,4-<i>e</i>][1,2,4]triazépine","Acta Crystallographica Section C","1996","52","5","1230","1232","10.1107/S0108270195012741","","","0.71069","MoKα","","","0.0558","","","0.0568","","","","","4.47","4.47","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004874","11.095","0.003","10.098","0.003","11.607","0.004","90","","91.34","0.03","90","","1300.1","0.7","295","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 B F4 Fe O3 -","- C10 H11 B F4 Fe O3 -","- C40 H44 B4 F16 Fe4 O12 -","4","1","FG1014","Rheingold, A. L.; Haggerty, B. S.; Ma, H.; Ernst, R. D.","Tricarbonyl(η^5^-2,4-dimethylpentadienyl)iron Tetrafluoroborate","Acta Crystallographica Section C","1996","52","5","1110","1112","10.1107/S010827019501465X","","","0.71073","MoKα","","","0.0742","","","0.0773","","","","","1.6","1.6","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004875","9.474","0.001","9.529","0.002","12.16","0.002","99.98","0.01","97.16","0.01","115.92","0.01","947.2","0.3","296","","","","","","","","","","","4","P -1","-P 1","2","","","","- C22.5 H22.5 Ga N1.5 -","- C22.5 H23 Ga N1.5 -","- C45 H46 Ga2 N3 -","2","1","FG1063","Sun, H.-S.; Wang, X.-M.; Sun, X.-Z.; You, X.-Z.; Wang, J.-Z.","(Acridine)trimethylgallium‒Acridine (2/1)","Acta Crystallographica Section C","1996","52","5","1184","1186","10.1107/S0108270195014661","","","0.71073","MoKα","","","0.0385","","","0.0393","","","","","1.534","1.534","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2004876","13.131","0.003","7.541","0.001","14.758","0.003","90","","96.03","0.02","90","","1453.3","0.5","170","","170","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 S5 -","- C12 H14 S5 -","- C48 H56 S20 -","4","1","FG1108","Parvez, M.; Mesher, S. T. E.; Clark, P. D.","2,3,6,7-Tetrakis(methylthio)benzo[<i>b</i>]thiophene","Acta Crystallographica Section C","1996","52","5","1248","1250","10.1107/S0108270195015630","","","0.71069","MoKα","","","0.0638","","","0.0641","","","","","2.838","2.838","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004877","17.892","0.001","11.115","0.003","18.279","0.001","90","","114.431","0.004","90","","3309.6","0.9","294","","294","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","mer-Dihydrido(iodo){bis[dimethyl(diphenylphosphino\-methyl)silyl]\- amine}\-iridium(III)","","- C30 H39 I Ir N P2 Si2 -","- C30 H39 I Ir N P2 Si2 -","- C120 H156 I4 Ir4 N4 P8 Si8 -","4","1","FG1124","Fryzuk, M. D.; MacNeil, P. A.; Rettig, S. J.; Stephan, M.","<i>mer</i>-{Bis[dimethyl(diphenylphosphinomethyl)silyl]amine-<i>N</i>,<i>P</i>,<i>P</i>'}dihydrido(iodo)iridium(III)","Acta Crystallographica Section C","1996","52","5","1115","1117","10.1107/S0108270195016544","","","0.7107","MoKα","","","0.027","","","0.022","","","","","1.32","1.32","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004878","9.809","0.004","10.011","0.004","21.975","0.008","91.77","0.01","91.62","0.01","113.03","0.02","1983.1","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[Bis(benzimidazol-2ylethyl)sulfide] Nickel(II)nitrate","","","- C36 H36 N10 Ni O6 S2 -","- C36 H36 N10 Ni O6 S2 -","- C72 H72 N20 Ni2 O12 S4 -","2","1","FG1136","Pandiyan, T.; Panneerselvam, K.; Soriano-García, M.; Durán de Bazúa, C.; Holt, E. M.","Bis[bis(2-benzimidazol-2-ylethyl) sulfide]nickel(II) Dinitrate","Acta Crystallographica Section C","1996","52","5","1137","1139","10.1107/S0108270195016398","","","0.71073","MoKα","","0.0829","0.0533","","0.1364","0.1181","","","","1.073","1.156","1.156","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004879","9.1293","0.0007","7.2499","0.0006","10.0753","0.0008","90","","100.793","0.006","90","","655.05","0.09","296","","296","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","Octahydrochrysene","1,2,3,4,7,8,9,10-octahydrochrysene","","- C18 H20 -","- C18 H20 -","- C36 H40 -","2","0.5","FG1138","Burd, C. J.; Dobson, A. J.; Gerkin, R. E.","Redetermination of Octahydrochrysene","Acta Crystallographica Section C","1996","52","5","1241","1243","10.1107/S0108270195015460","","","0.71073","MoKα","","","0.045","","","0.053","","","","","1.76","1.76","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004880","8.539","0.002","5.229","0.006","10.268","0.003","90","","97.2","0.02","90","","454.9","0.5","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(2-deoxy-α-D-erythro-pentopyranosyl) 1-(R),2-(R),4-triazolidine-3,5-dione","","- C7 H11 N3 O5 -","- C7 H11 N3 O5 -","- C14 H22 N6 O10 -","2","1","FG1140","Robinson, P. D.; Meyers, C. Y.; Kolb, V. M.; Colloton, P. A.","First Example of a Crystalline Urazole Nucleoside: (1<i>R</i>,2<i>R</i>)-Urazole-α-<small>D</small>-pyranosyl-2-deoxyriboside","Acta Crystallographica Section C","1996","52","5","1215","1218","10.1107/S0108270195015873","","","0.71069","MoKα","","","0.027","","","0.029","","","","","1.23","1.23","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004881","15.822","0.004","12.66","0.004","16.657","0.002","90","","91.7","0.02","90","","3335","1.4","294.2","","294.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 Mo2 N2 O4 -","- C34 H46 Mo2 N2 O4 -","- C136 H184 Mo8 N8 O16 -","4","1","FG1147","Legzdins, P.; Lundmark, P. J.; Rettig, S. J.","Bis-μ-hydroxo-bis[(benzyl)(nitrosyl-<i>N</i>)(η^5^-pentamethylcyclopentadienyl)molybdenum]","Acta Crystallographica Section C","1996","52","5","1113","1115","10.1107/S0108270196001096","","","0.7107","MoKα","","","0.04","","","0.0399","","","","","2.01","2.01","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004882","8.444","0.002","5.015","0.002","12.5573","0.0009","90","","100.345","0.009","90","","523.1","0.2","290","","290","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N4 -","- C4 H4 N4 -","- C16 H16 N16 -","4","1","HA1153","Frampton, C. S.","1,1-Diamino-2,2-dicyanoethene","Acta Crystallographica Section C","1996","52","5","1218","1220","10.1107/S0108270195015721","","","0.7107","MoKα","","0.0474","0.032","","0.0403","0.039","","","","","2.59","2.59","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004883","12.049","0.003","17.018","0.003","17.071","0.003","90","","90","","90","","3500.4","1.2","293","","","","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C10 H31 Br2 Cr N4 O3 -","- C10 H30 Br2 Cr N4 O3 -","- C80 H240 Br16 Cr8 N32 O24 -","8","1","HU1105","Palmer, R. A.; Potter, B. S.; Tanriverdi, S.; Lisgarten, J. N.; Flint, C. D.; Gazi, D. M.","Structures of Chromium(III) Cyclam Complexes. 6. <i>trans</i>-Aquahydroxy(1,4,8,11-tetraazacyclotetradecane)chromium(III) Dibromide Hydrate","Acta Crystallographica Section C","1996","52","5","1177","1180","10.1107/S0108270195012996","","","1.54178","CuKα","","","0.0629","","","0.1485","","","","","1.063","1.063","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004884","10.38719","0.00008","6.03925","0.00002","15.29563","0.00007","90","","102.825","0.0004","90","","935.572","0.009","4","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","Trirubidiumhydrogendiselenide","","- H O8 Rb3 Se2 -","- H2 O8 Rb3 Se2 -","- H8 O32 Rb12 Se8 -","4","0.5","JZ1057","Melzer, R.; Sonntag, R.; Knight, K. S.","Rb~3~H(SeO~4~)~2~ at 4K by Neutron Powder Diffraction","Acta Crystallographica Section C","1996","52","5","1061","1063","10.1107/S0108270195011085","","","","","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004885","9.69","0.003","21.62","0.004","12.835","0.003","90","","106.26","0.03","90","","2581.4","1.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,3,5-Trideoxy-1,3,5-tris(trimethylammonio)-cis-inositol triiodide sesquihydrate","","- C15 H39 I3 N3 O4.5 -","- C15 H37 I3 N3 O4.5 -","- C60 H148 I12 N12 O18 -","4","1","JZ1076","Schmalle, H. W.; Hegetschweiler, K.","Hydrogen Bonding <i>versus</i> van der Waals Repulsion in 1,3,5-Trideoxy-1,3,5-tris(trimethylammonio)-<i>cis</i>-inositol Triiodide Sesquihydrate, C~15~H~36~N~3~O~3~^3+^.3I^{-^}.1.5H~2~O","Acta Crystallographica Section C","1996","52","5","1288","1293","10.1107/S0108270195013497","","","0.71073","MoKα","","0.0868","0.0472","","0.1637","0.115","","","","1.285","1.149","1.149","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004886","10.719","0.007","14.198","0.005","9.773","0.003","90.05","0.03","96.31","0.04","89.32","0.04","1478.2","1.2","","","","","","","","","","","","8","P -1","-P 1","2","","[{1,1'-bis(methylphenylphosphino)ferrocene}(pentane-2,4-dionato)palladium] tetrafluoroborate","","- C29 H31 B F4 Fe O2 P2 Pd -","- C29 H31 B F4 Fe O2 P2 Pd -","- C58 H62 B2 F8 Fe2 O4 P4 Pd2 -","2","1","JZ1104","Herberich, G. E.; Moss, S.; Schultz, A.","[1,1'-Bis(methylphenylphosphino)ferrocene-<i>P</i>,<i>P</i>'](pentane-2,4-dionato-<i>O</i>,<i>O</i>')palladium Tetrafluoroborate","Acta Crystallographica Section C","1996","52","5","1080","1082","10.1107/S0108270195016775","","","0.71073","MoKα","","","0.04","","","0.049","","","","","1.366","1.366","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2004887","37.086","0.009","16.045","0.005","12.128","0.005","90","","101.425","0.015","90","","7074","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tris(1,10-phenanthroline)ruthenium(II) dihexafluorophosphate","","- C36 H24 F12 N6 P2 Ru -","- C36 H24 F12 N6 P2 Ru -","- C288 H192 F96 N48 P16 Ru8 -","8","1","JZ1107","Breu, J.; Stoll, A. J.","Tris(1,10-phenanthroline)ruthenium(II) Bis(hexafluorophosphate)","Acta Crystallographica Section C","1996","52","5","1174","1177","10.1107/S0108270195017057","","","0.71069","MoKα","","0.0715","0.0435","","0.1142","0.1039","","","","0.914","1.034","1.034","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004888","13.103","0.004","7.734","0.001","13.392","0.004","90","","119.09","0.01","90","","1185.9","0.5","198","2","198","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[tert-Butyl(methyl)ether-O]-lithium phenylmethanide","","- C12 H19 Li O -","- C12 H19 Li O -","- C48 H76 Li4 O4 -","4","1","JZ1111","Müller, G.; Lutz, M.; Waldkircher, M.","Benzyllithium <i>tert</i>-Butyl Methyl Etherate","Acta Crystallographica Section C","1996","52","5","1182","1184","10.1107/S0108270196000923","","","0.71069","MoKα","","0.1607","0.0526","","0.1379","0.1058","","","","1.006","1.128","1.128","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004889","20.756","0.001","6.16","0.001","21.475","0.001","90","","97.32","0.01","90","","2723.4","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 N2 Ni O2 -","- C36 H28 N2 Ni O2 -","- C144 H112 N8 Ni4 O8 -","4","0.5","KA1135","Elerman, Y.; Kabak, M.; Tahir, M. N.","Bis(<i>N</i>-benzyl-2-hydroxy-1-naphthaldiminato)nickel(II)","Acta Crystallographica Section C","1996","52","5","1154","1156","10.1107/S0108270195016015","","","0.71073","MoKα","","0.123","0.045","","0.211","0.075","","","","2.42","1.18","1.18","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004890","15.187","0.005","12.883","0.003","11.468","0.003","90","","90","","90","","2243.8","1.1","293","","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","4,5-ethylenedioxy-1,3-dimethyl-dihydrouric acid","cis-4,5-ethylenedioxy-1,3-dimethyltetrahydropurine-2,6,8-trione","","- C9 H12 N4 O5 -","- C9 H12 N4 O5 -","- C72 H96 N32 O40 -","8","2","KA1144","Poje, N.; Poje, M.; Vickovic, I.","<i>cis</i>-Perhydro-1,3-dimethyl-4,5-(epoxyethanoxy)purine-2,6,8-trione","Acta Crystallographica Section C","1996","52","5","1311","1313","10.1107/S0108270195011322","","","1.54178","CuKα","","0.0465","0.0426","","0.0725","0.0711","","","","0.982","1.013","1.013","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004891","12.461","0.006","6.454","0.004","13.621","0.005","90","","107.57","0.01","90","","1044.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-hydroxyantipyrine","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C44 H48 N8 O8 -","4","1","KA1148","Panneerselvam, K.; Jayanthi, N.; Rudiño-Piñera, E.; Soriano-García, M.","4-Hydroxyantipyrine","Acta Crystallographica Section C","1996","52","5","1257","1258","10.1107/S0108270195015459","","","1.54178","CuKα","","0.0506","0.047","","0.1226","0.1177","","","","1.073","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004892","14.819","0.001","10.765","0.001","20.673","0.002","90","","92.28","","90","","3295.3","0.5","158","2","158","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Hexakis(N,N-dimethylformamide)-nickel(II) Diperchlorate","","- C18 H42 Cl2 N6 Ni O14 -","- C18 H42 Cl2 N6 Ni O14 -","- C72 H168 Cl8 N24 Ni4 O56 -","4","1","KA1163","McKee, V.; Metcalfe, T.; Wikaira, J.","Hexakis(<i>N</i>,<i>N</i>-dimethylformamide)nickel(II) Diperchlorate","Acta Crystallographica Section C","1996","52","5","1139","1141","10.1107/S010827019501523X","","","0.71073","MoKα","","0.0588","0.0407","","0.1109","0.0931","","","","1.035","1.07","1.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004893","13.926","0.002","32.8","0.004","6.283","0.004","90","","90","","90","","2869.9","1.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 O5 -","- C30 H48 O5 -","- C120 H192 O20 -","4","1","KA1164","Böcskei, Z.; Szendi, Z.; Sweet, F.","A Side-Chain Substituted Cholesterol Analog","Acta Crystallographica Section C","1996","52","5","1302","1304","10.1107/S0108270195016295","","","1.5418","CuKα","","0.2176","0.0705","","0.3207","0.1907","","","","1.051","1.2","1.2","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004894","21.64","0.002","7.866","0.001","6.72","0.01","90","0.01","96.16","0.01","90","0.009","1137.3","1.7","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","ethyl p-methoxycinnamate","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","KA1167","Luger, P.; Weber, M.; Dung, N. X.; Tuyet, N. T. B.","Ethyl <i>p</i>-Methoxycinnamate from <i>Kaempferia galanga L</i>. in Vietnam","Acta Crystallographica Section C","1996","52","5","1255","1257","10.1107/S0108270195016027","","","1.5418","CuKαradiation,Nifiltered","","0.053","0.039","","0.044","0.034","","","","0.497","0.418","0.418","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004895","20.054","0.004","13.005","0.003","9.611","0.002","90","","90","","90","","2506.6","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","bis[(benzoato-O,O')bis(nicotinamide-N)]copper(II)","","- C26 H22 Cu N4 O6 -","- C26 H22 Cu N4 O6 -","- C104 H88 Cu4 N16 O24 -","4","0.5","KA1172","Leban, I.; Segedin, P.; Gruber, K.","Bis(benzoato-<i>O</i>,<i>O</i>')bis(nicotinamide-<i>N</i>)copper(II)","Acta Crystallographica Section C","1996","52","5","1096","1098","10.1107/S0108270195017240","","","0.71073","MoKα","","0.1098","0.0531","","0.1785","0.1224","","","","1.074","1.063","1.063","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2004896","12.464","0.003","14.934","0.003","17.46","0.003","90","","90","","90","","3250","1.2","293","","293","","","","","","","","","7","C 2 2 21","C 2c 2","20","","bis[bis(4-methylthiazolinylidene)gold(I)] tetrachlorozincate dichloromethane","","- C8.5 H11 Au Cl3 N2 S2 Zn0.5 -","- C10 H8 Au Cl2 N2 S2 Zn0.5 -","- C80 H64 Au8 Cl16 N16 S16 Zn4 -","8","1","KH1025","Kruger, G. J.; Olivier, P. J.; Otte, R.; Raubenheimer, H. G.","Bis[bis(4-methylthiazolin-2-ylidene)gold(I)] Tetrachlorozincate Dichloromethane","Acta Crystallographica Section C","1996","52","5","1159","1161","10.1107/S0108270195015514","","","0.7093","MoKα","","0.078","0.05","","0.055","0.054","","","","3.587","4.045","4.045","","","","","has coordinates","188742","2020-10-21","18:00:00",""
"2004897","9.46","0.002","19.572","0.004","20.017","0.006","90","","92.58","0.02","90","","3702.4","1.6","300","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Ag Cl N2 P2 S2 -","- C38 H34 Ag Cl N2 P2 S2 -","- C152 H136 Ag4 Cl4 N8 P8 S8 -","4","1","KH1051","Long, D.-L.; Xin, X.-Q.; Huang, X.-Y.; Kang, B.-S.","Chloro(ethanedithioamide-<i>S</i>)bis(triphenylphosphine)silver(I)","Acta Crystallographica Section C","1996","52","5","1161","1163","10.1107/S0108270195013813","","","0.71073","MoKα","","","0.037","","","0.049","","","","","1.35","1.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004898","8.215","0.001","17.387","0.002","10.042","0.001","90","","101.92","0.01","90","","1403.4","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H19 Li N2 O4 -","- C12 H19 Li N2 O4 -","- C48 H76 Li4 N8 O16 -","4","1","KH1058","Näther, C.; John, A.; Ruppert, K.; Bock, H.","Bis(<i>N</i>,<i>N</i>-dimethylformamide)(pyrocatecholato-<i>O</i>,<i>O</i>')lithium","Acta Crystallographica Section C","1996","52","5","1166","1168","10.1107/S010827019501571X","","","0.71073","MoKα","","0.101","0.0453","","0.0894","0.0788","","","","0.974","1.136","1.136","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004899","9.358","0.001","13.408","0.001","13.755","0.001","90","","90","","90","","1725.9","0.3","298","3","","","","","","","","","","5","P m c n","-P 2n -21","","","","","- C12 H24 Cu N6 S2 -","- C6.5 H12 Cu0.5 N3.5 S1.5 -","- C26 H48 Cu2 N14 S6 -","4","0.5","KH1068","Lu, T.-H.; Tahirov, T. H.; Liu, Y.-L.; Chung, C.-S.; Huang, C.-C.; Hong, Y.-S.","(Isothiocyanato)[(1<i>RS</i>,4<i>RS</i>,8<i>SR</i>,11<i>SR</i>)-1,4,8,11-tetraazacyclotetradecane]copper(II) Thiocyanate, [Cu(NCS)(cyclam)](SCN)","Acta Crystallographica Section C","1996","52","5","1093","1095","10.1107/S0108270195016519","","","0.71073","MoKα","","","0.041","","","0.048","","","","","1.53","1.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004900","6.374","0.001","9.917","0.002","26.743","0.003","90","","90","","90","","1690.5","0.5","293","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C7 H12 O5 -","- C7 H12 O5 -","- C56 H96 O40 -","8","1","LI1141","Zukerman-Schpector, J.; Caracelli, I.; Varanda, N. A.; Brockson, U.","Synthesis and Relative Configuration of (±)-(1α,2β,3β,4α)-1,2,3,4-Cyclopentanetetrol 1-Acetate","Acta Crystallographica Section C","1996","52","5","1298","1299","10.1107/S0108270195015812","","","0.71073","MoKα","","0.0711","0.0472","","0.3476","0.1185","","","","1.082","1.068","1.068","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2004901","25.99","0.002","7.078","0.001","13.203","0.001","90","","103.82","0.05","90","","2358.5","0.7","296","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis-(N-4-chlorobenzilydene 2-mercaptoaniline)nickel(II)","","- C26 H18 Cl2 N2 Ni S2 -","- C26 H18 Cl2 N2 Ni S2 -","- C104 H72 Cl8 N8 Ni4 S8 -","4","0.5","MU1204","Ercan, F.; Ülkü, D.; Ancin, N.; Oztas, S. G.; Tüzün, M.","Bis[<i>N</i>-(4-chlorobenzylidene)-2-mercaptoanilinato]nickel(II)","Acta Crystallographica Section C","1996","52","5","1141","1143","10.1107/S0108270195014594","","","0.71073","MoKα","","","0.047","","","0.05","","","","","0.73","0.73","","","","","has coordinates","198476","2020-10-21","18:00:00",""
"2004902","14.644","0.006","15.644","0.004","23.085","0.004","90","","90","","90","","5289","3","296","","","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C24 H24 N2 Ni O2 S4 -","- C24 H24 N2 Ni O2 S4 -","- C192 H192 N16 Ni8 O16 S32 -","8","0.5","MU1212","Xiong, R.-G.; Zuo, J.-L.; You, X.-Z.; Huang, X.-Y.","<i>trans</i>-Bis(<i>O</i>-ethyl dithiocarbonato-<i>S</i>,<i>S</i>')bis(isoquinoline)nickel(II)","Acta Crystallographica Section C","1996","52","5","1157","1159","10.1107/S0108270195014727","","","0.71073","MoKα","","","0.056","","","0.068","","","","","1.69","1.69","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004903","13.012","0.002","14.133","0.002","11.856","0.002","92.96","0.01","112.946","0.009","77.55","0.01","1959.3","0.5","293.2","","293.2","","","","","","","","","7","P -1","-P 1","2","","","","- C8 H42 Co2 Mo6 N2 O37 P4 -","- C8 H24 Co2 Mo6 N2 O37 P4 -","- C16 H48 Co4 Mo12 N4 O74 P8 -","2","1","MU1218","Lightfoot, P.; Masson, D.","[N(CH~3~)~4~]~2~[Co~2~Mo~6~O~12~(OH)~4~(PO~4~)(HPO~4~)~2~(H~2~PO~4~)].5H~2~O, a New One-Dimensional Molybdenum Phosphate","Acta Crystallographica Section C","1996","52","5","1077","1080","10.1107/S0108270195015551","","","0.71073","MoKα","","","0.041","","","0.057","","","","","4.91","4.91","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004904","8.601","0.001","8.768","0.001","15.008","0.002","89.32","0.01","83.97","0.01","81.22","0.01","1112.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(S-methyl-β-N-(4-methoxyphenyl)methylendithiocarbazide) nickel(II).","","- C20 H22 N4 Ni O2 S4 -","- C20 H22 N4 Ni O2 S4 -","- C40 H44 N8 Ni2 O4 S8 -","2","1","MU1220","Fun, H.-K.; Sivakumar, K.; Tian, Y.-P.; Duan, C.-Y.; Lu, Z.-L.; You, X.-Z.","Bis[methyl <i>N</i>^{β^}-(4-methoxyphenylmethylene)dithiocarbazato]nickel(II)","Acta Crystallographica Section C","1996","52","5","1143","1145","10.1107/S0108270195015290","","","0.71073","MoKα","","0.0367","0.0328","","0.0942","0.0914","","","","1.063","1.109","1.109","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004905","8.534","0.001","8.765","0.001","9.975","0.001","87.56","0.01","64.89","0.01","72.26","0.01","640.23","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(1-methyl-4-methylpyridinium) bis(maleonitriledithiolate) nickel(II).","","- C22 H20 N6 Ni S4 -","- C22 H20 N6 Ni S4 -","- C22 H20 N6 Ni S4 -","1","0.5","MU1222","Shan, B.-Z.; Zhang, X.-M.; You, X.-Z.; Fun, H.-K.; Sivakumar, K.","Bis(1,4-dimethylpyridinium) Bis(maleonitriledithiolato)nickelate(II)","Acta Crystallographica Section C","1996","52","5","1148","1150","10.1107/S0108270195014429","","","0.71073","MoKα","","0.0347","0.0327","","0.0984","0.0971","","","","1.077","1.112","1.112","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004906","27.858","0.005","8.094","0.002","9.951","0.002","90","","90","","90","","2243.8","0.8","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-Morpholinyl-3-phenylthiourea.","","- C11 H14 N2 O S -","- C11 H14 N2 O S -","- C88 H112 N16 O8 S8 -","8","2","MU1225","Ramnathan, A.; Sivakumar, K.; Srinivasan, N.; Janarthanan, N.; Ramadas, K.; Fun, H.-K.","<i>N</i>-Phenyl-4-morpholinecarbothioamide and <i>N</i>-(2-Tolyl)-4-morpholinecarbothioamide","Acta Crystallographica Section C","1996","52","5","1285","1288","10.1107/S0108270195015010","","","0.71073","MoKα","","0.063","0.047","","0.1401","0.1309","","","","1.065","1.173","1.173","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004907","40.201","0.005","7.59","0.001","7.829","0.001","90","","90","","90","","2388.8","0.5","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","1-Morpholinyl-3-tolylthiourea.","","- C12 H16 N2 O S -","- C12 H16 N2 O S -","- C96 H128 N16 O8 S8 -","8","1","MU1225","Ramnathan, A.; Sivakumar, K.; Srinivasan, N.; Janarthanan, N.; Ramadas, K.; Fun, H.-K.","<i>N</i>-Phenyl-4-morpholinecarbothioamide and <i>N</i>-(2-Tolyl)-4-morpholinecarbothioamide","Acta Crystallographica Section C","1996","52","5","1285","1288","10.1107/S0108270195015010","","","0.71073","MoKα","","0.094","0.0507","","0.305","0.1396","","","","0.966","1.036","1.036","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004908","13.3698","0.0002","8.5803","0.0001","16.5573","0.0001","90","","109.459","0.001","90","","1790.91","0.04","153","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-methyl-8-quinolinolato) Molybdenum","","- C20 H16 Mo N2 O4 -","- C20 H16 Mo N2 O4 -","- C80 H64 Mo4 N8 O16 -","4","1","MU1231","Fun, H.-K.; Sivakumar, K.; Niu, J.-Y.; Wang, J.-P.; You, X.-Z.","<i>cis</i>-Bis(2-methyl-8-quinolinolato-<i>N</i>,<i>O</i>)dioxomolybdenum(VI)","Acta Crystallographica Section C","1996","52","5","1150","1152","10.1107/S0108270195016933","","","0.71073","MoKα","","0.0238","0.0229","","0.0556","0.0552","","","","1.143","1.144","1.144","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004909","7.438","0.001","15.332","0.002","17.722","0.003","103.36","0.01","92.14","0.01","101.7","0.01","1917.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis-4-{(p-dimethylamino)styryl}pyridinium bis(maleonitriledithiolate) nickelate(II).","","- C40 H38 N8 Ni S4 -","- C40 H38 N8 Ni S4 -","- C80 H76 N16 Ni2 S8 -","2","1","MU1233","Fun, H.-K.; Sivakumar, K.; Shan, B.-Z.; You, X.-Z.","Bis[4-(4-dimethylaminostyryl)-<i>N</i>-methylpyridinium] Bis[maleonitriledithiolato(2‒)-<i>S</i>,<i>S</i>']nickelate(II)","Acta Crystallographica Section C","1996","52","5","1152","1154","10.1107/S0108270195016921","","","0.71073","MoKα","","0.0566","0.0368","","0.1059","0.0975","","","","0.934","1.049","1.049","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004910","9.431","0.002","11.27","0.002","15.781","0.003","90","","91.13","0.03","90","","1677","0.6","193","2","193","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","Dichlorophenyl imino Zirconium dimer THF adduct","Zr,Zr,Zr',Zr'-TetrachloroDi(μ-Phenyl-imino)Zr,Zr,Zr',Zr'- Tetrakis(Tetrahydrofurane)DiZirconium(IV)","","- C28 H42 Cl4 N2 O4 Zr2 -","- C28 H42 Cl4 N2 O4 Zr2 -","- C56 H84 Cl8 N4 O8 Zr4 -","2","0.5","MU1234","Polamo, M.; Mutikainen, I.; Leskelä, M.","A 1:4 Adduct of Tetrachlorobis(μ-phenylimido)dizirconium(IV) and Tetrahydrofuran","Acta Crystallographica Section C","1996","52","5","1082","1084","10.1107/S0108270195016891","","","0.71069","MoKα","","0.0408","0.0362","","0.0896","0.0871","","","","1.037","1.064","1.064","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004911","11.755","0.008","14.521","0.003","15.884","0.005","89.333","0.001","77.715","0.001","67.027","0.001","2431.4","1.9","298","","","","","","","","","","","6","P -1","-P 1","2","","Bis(Tetraphenylphosphonium)Tetrachloro-dioxouranium(VI).dichloromethane","","- C49 H42 Cl6 O2 P2 U -","- C49 H42 Cl6 O2 P2 U -","- C98 H84 Cl12 O4 P4 U2 -","2","1","MU1235","Brown, D. R.; Chippindale, A. M.; Denning, R. G.","Bis(tetraphenylphosphonium) Tetrachlorodioxouranate(VI) Dichloromethane Solvate","Acta Crystallographica Section C","1996","52","5","1164","1166","10.1107/S0108270195016908","","","0.71069","MoKα","","","0.0461","","","0.0491","","","","","1.0864","1.0864","","","","","has coordinates","189213","2020-10-21","18:00:00",""
"2004912","8.131","0.003","10.052","0.004","18.473","0.004","100.75","0.04","101.52","0.04","99.03","0.04","1423.6","0.9","297","2","295","2","","","","","","","","5","P -1","-P 1","2","","(3,8,12,17-Me~4~-(9,10,11)(18,1,2)pyo~2~-[18]-3,7,12,16-tetraene- 1,4,7,10,13,16-N~6~)tris(isothiocyanato-N)europium tris(isocyanato-N)(2,7,13,18-tertamethyl-3,6,14,17,23,24-hexaazatricyclo [17.3.1.1^8,12^]tetracosa-1(23),8(24),9,11,19,21-hexaene-N^3^,N^6^,N^14^, N^17^,N^23^,N^24^)europium","","- C25 H26 Eu N9 S3 -","- C25 H26 Eu N9 S3 -","- C50 H52 Eu2 N18 S6 -","2","1","NA1202","Benetollo, F.; Bombieri, G.; Vallarino, L. M.","The β Form of the Macrocyclic Complex [Eu(NCS)~3~(C~22~H~26~N~6~)]","Acta Crystallographica Section C","1996","52","5","1190","1193","10.1107/S0108270195015484","","","0.71069","MoKα","","0.0293","0.0276","","0.0731","0.0696","","","","1.103","1.103","1.103","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004913","10.6262","0.001","18.101","0.002","14.1962","0.0014","90","","107.376","0.008","90","","2606","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tricarbonyl(cyclopentadienyl)(selenotriphenylphosphonium)tungsten(I) Perchlorate","","- C26 H20 Cl O7 P Se W -","- C26 H20 Cl O7 P Se W -","- C104 H80 Cl4 O28 P4 Se4 W4 -","4","1","NA1204","Thöne, C.; Jones, P. G.","Tricarbonyl(cyclopentadienyl)(selenotriphenylphosphonium)tungsten(I) Perchlorate, [W(C~5~H~5~)(C~18~H~15~PSe)(CO)~3~](ClO~4~)","Acta Crystallographica Section C","1996","52","5","1084","1086","10.1107/S0108270195015289","","","0.71073","MoKα","","0.0461","0.0275","","0.056","0.0524","","","","0.905","0.992","0.992","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004914","6.8415","0.0003","24.411","0.003","19.377","0.001","90","","95.888","0.006","90","","3219","0.5","298","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methoxy-9-methyl-9H-carbazol-1,2-dimethyldicarboxalat","","- C18 H17 N O5 -","- C18.5 H17 N O4.5 -","- C148 H136 N8 O36 -","8","2","NA1206","Schollmeyer, D.; Fischer, G.; Pindur, U.","Pyrrolo-Annellated Carbazoles as Potential Antitumour-Active Compounds: Dimethyl 4-Methoxy-9-methyl-9<i>H</i>-carbazole-1,2-dicarboxylate and 5-Hydroxy-2-phenyl-10-methyl-1,2,3,10-tetrahydropyrrolo[3,4-<i>a</i>]carbazole-1,3-dione Methanol Solvate","Acta Crystallographica Section C","1996","52","5","1277","1280","10.1107/S010827019501609X","","","1.5416","CuKα","","","0.06","","0.07","","","","","6.88","","","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2004915","22.028","0.002","11.698","0.001","7.0116","0.0003","90","","90","","90","","1806.8","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-Benzene-9-hydroxy-4-methyl-2H,4H-pyrrolo-[2,3-b]carbazole-1,3-dione","","- C22 H18 N2 O4 -","- C22 H18 N2 O4 -","- C88 H72 N8 O16 -","4","1","NA1206","Schollmeyer, D.; Fischer, G.; Pindur, U.","Pyrrolo-Annellated Carbazoles as Potential Antitumour-Active Compounds: Dimethyl 4-Methoxy-9-methyl-9<i>H</i>-carbazole-1,2-dicarboxylate and 5-Hydroxy-2-phenyl-10-methyl-1,2,3,10-tetrahydropyrrolo[3,4-<i>a</i>]carbazole-1,3-dione Methanol Solvate","Acta Crystallographica Section C","1996","52","5","1277","1280","10.1107/S010827019501609X","","","1.5418","CuKα","","0.098","0.0628","","0.1852","0.1619","","","","1.009","1.047","1.047","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004916","10.044","0.003","10.044","0.003","10.044","0.003","90","","90","","90","","1013.3","0.5","296","","23","","","","","","","","","3","F 2 2 2","F 2 2","22","","","","- Re4 S4 Te4 -","- Re4 S4 Te4 -","- Re16 S16 Te16 -","4","0.25","OH1089","Fedorov, V. E.; Mironov, Y. V.; Fedin, V. P.; Imoto, H.; Saito, T.","Re~4~S~4~Te~4~","Acta Crystallographica Section C","1996","52","5","1065","1067","10.1107/S0108270195016763","","","0.7107","MoKα","","","0.0286","","","0.0224","","","","","4.27","4.27","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004917","3.908","0.001","3.908","0.001","11.16","0.004","90","","90","","90","","170.44","0.09","296","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Cs La Nb2 O7 -","- Cs La Nb2 O7 -","- Cs La Nb2 O7 -","1","0.0625","OH1090","Kumada, N.; Kinomura, N.; Sleight, A. W.","CsLaNb~2~O~7~","Acta Crystallographica Section C","1996","52","5","1063","1065","10.1107/S0108270195015848","","","0.71069","MoKα","","","0.026","","","0.031","","","","","1.79","1.79","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004918","6.5901","0.0008","9.4434","0.0009","14.983","0.002","90","","90","","90","","932.44","0.19","291","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H14 N2 O5 Pt -","- C5 H14 N2 O5 Pt -","- C20 H56 N8 O20 Pt4 -","4","0.5","PA1135","Bréhin, P.; Chottard, J. C.; Kozelka, J.; Bois, C.","Diammine(dimethylmalonato)platinum(II) Monohydrate","Acta Crystallographica Section C","1996","52","5","1186","1188","10.1107/S010827019501482X","","","0.7107","MoKα","","","0.029","","","0.037","","","","","1.05","1.05","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004919","19.238","0.005","24.477","0.003","15.79","0.02","90","","109.52","0.02","90","","7008","9","123","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","β-Cyclodextrin-Z-9-dodecenol complex","cyclomaltoheptaose-Z-9-dodecen-1-ol complex","","- C49 H104 O46 -","- C48.81 H52.43 O45.37 -","- C195.24 H209.72 O181.48 -","4","1","PA1191","Mentzafos, D.; Mavridis, I. M.; Hursthouse, M. B.","β-Cyclodextrin (<i>Z</i>)-9-Dodecen-1-ol 2:1 Complex","Acta Crystallographica Section C","1996","52","5","1220","1223","10.1107/S0108270195014703","","","0.071069","MoKα","","0.0901","0.0679","","0.2204","0.1842","","","","0.596","0.732","0.732","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004920","19.825","0.005","16.714","0.002","4.905","0.001","90","","90","","90","","1625.3","0.6","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","5,6-BENZO-4,7-DIOXA-1,10,14-TRIAZACYCLOHEPTADECANE-2,9-DIONE","","- C16 H23 N3 O4 -","- C16 H23 N3 O4 -","- C64 H92 N12 O16 -","4","0.5","PA1212","","Structure-Based Rationalization of the Ionophore Character of Lead-Selective Amide‒Ether‒Amine-Containing Macrocycles: 2,3-Benzo-1,4-dioxa-7,11,15-triazacycloheptadec-2-ene-6,16-dione and 2,3-Benzo-1,4-dioxa-7,10,13-triazacyclopentadec-2-ene-6,14-dione‒Water (1/2)","Acta Crystallographica C","1996","52","","1232","1236","10.1107/S0108270195015198","","","1.5418","CuKα","","0.133","0.039","","0.108","0.039","","","","1.918","1.219","1.219","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004921","7.3684","0.0009","22.641","0.003","10.479","0.002","90","","110.44","0.01","90","","1638.1","0.4","293","","293","","","","","","","","","4","I 1 a 1","I -2ya","9","","Diaqua 5,6-benzo-4,7-dioxa-1,10,13-triazacyclopentadecane-2,9-dione","","- C14 H23 N3 O6 -","- C14 H23 N3 O6 -","- C56 H92 N12 O24 -","4","1","PA1212","","Structure-Based Rationalization of the Ionophore Character of Lead-Selective Amide‒Ether‒Amine-Containing Macrocycles: 2,3-Benzo-1,4-dioxa-7,11,15-triazacycloheptadec-2-ene-6,16-dione and 2,3-Benzo-1,4-dioxa-7,10,13-triazacyclopentadec-2-ene-6,14-dione‒Water (1/2)","Acta Crystallographica C","1996","52","","1232","1236","10.1107/S0108270195015198","","","1.5418","CuKα","","0.05","0.041","","0.052","0.045","","","","1.191","1.128","1.128","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004922","9.484","0.002","7.812","0.002","26.171","0.005","90","","94.64","0.03","90","","1932.6","0.7","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,3-bis(2-imidazolyl)propionic acid hemihydrate","","- C9 H11 N4 O2.5 -","- C9 H11 N4 O2.5 -","- C72 H88 N32 O20 -","8","2","PA1214","Gimeno, B.; Sancho, A.; Soto, L.; Legros, J.-P.","3,3-Bis(2-imidazolyl)propionic Acid Hemihydrate","Acta Crystallographica Section C","1996","52","5","1226","1228","10.1107/S0108270195016222","","","0.71069","MoKα","","","0.04","","","0.043","","","","","2.44","2.44","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004923","9.16","0.006","7.819","0.005","9.57","0.004","80.49","0.05","113.72","0.04","98.97","0.05","615.9","0.7","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N O3 S -","- C13 H11 N O3 S -","- C26 H22 N2 O6 S2 -","2","1","PT1031","Howie, R. A.; Wardell, J. L.","4-Methoxyphenyl 2-Nitrophenyl Sulfide","Acta Crystallographica Section C","1996","52","5","1228","1230","10.1107/S0108270195015587","","","0.71073","MoKα","","","0.032","","","0.037","","","","","1.24","1.24","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004924","7.852","0.002","13.714","0.002","13.265","0.003","90","","118.98","0.01","90","","1249.6","0.5","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Cu2 N8 O4 -","- C28 H16 Cu2 N8 O4 -","- C56 H32 Cu4 N16 O8 -","2","0.5","PT1036","Parker, O. J.; Wolther, M. P.; Breneman, G. L.","Di-μ-isocyanato-bis[isocyanato(1,10-phenanthroline)copper(II)]","Acta Crystallographica Section C","1996","52","5","1089","1091","10.1107/S0108270195016799","","","0.71073","MoKα","","","0.028","","","0.036","","","","","1.44","1.44","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004925","11.36","0.002","35.845","0.005","11.495","0.002","90","","90.95","0.02","90","","4680.1","1.3","293","","","","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 B Br Cl2 D10 F4 O P2 Pt -","- C49 H38 B Br Cl2 F4 P2 Pt -","- C196 H152 B4 Br4 Cl8 F16 P8 Pt4 -","4","1","SZ1018","Klosin, J.; Jones, W. M.; Abboud, K. A.","Two Forms of Bromo(cycloheptatrienylidene)bis(triphenylphosphine)platinum(II)","Acta Crystallographica Section C","1996","52","5","1101","1104","10.1107/S010827019501016X","","","0.71073","MoKα","","","0.0509","","","0.0578","","","","","1.57","1.57","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004926","10.943","0.003","15.861","0.004","27.756","0.007","90","","90","","90","","4818","2","293","","","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C47 H44 B Br F4 O P2 Pt -","- C51 B Br F4 O2 P2 Pt -","- C204 B4 Br4 F16 O8 P8 Pt4 -","4","1","SZ1018","Klosin, J.; Jones, W. M.; Abboud, K. A.","Two Forms of Bromo(cycloheptatrienylidene)bis(triphenylphosphine)platinum(II)","Acta Crystallographica Section C","1996","52","5","1101","1104","10.1107/S010827019501016X","","","0.71073","MoKα","","","0.0646","","","0.0736","","","","","2.05","2.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004927","11.792","0.002","8.563","0.002","13.061","0.004","90","","90","","90","","1318.8","0.6","296","1","296","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H12 Cl2 N4 Ru -","- C8 H12 Cl2 N4 Ru -","- C32 H48 Cl8 N16 Ru4 -","4","0.5","TA1049","Bown, M.; Hockless, D. C. R.","<i>trans</i>-Tetrakis(acetonitrile)dichlororuthenium(II), [RuCl~2~(MeCN)~4~]","Acta Crystallographica Section C","1996","52","5","1105","1106","10.1107/S0108270195015320","","","0.7107","MoKα","","","0.0208","","","0.0165","","","","","1.577","1.577","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004928","8.802","0.006","9.517","0.005","10.989","0.008","100.15","0.05","106.51","0.06","101.75","0.05","836.8","1","298","","298","","","","","","","","","5","P -1","-P 1","2","","Trikis-(piperizinium) octamolybdate","","- C12 H36 Mo8 N6 O27 -","- C12 H36 Mo8 N6 O27 -","- C12 H36 Mo8 N6 O27 -","1","0.5","TA1054","Harrison, W. T. A.; Dussack, L. L.; Jacobson, A. J.","Tris(piperazinium) Octamolybdate, (C~4~H~12~N~2~)~3~[Mo~8~O~27~]","Acta Crystallographica Section C","1996","52","5","1075","1077","10.1107/S0108270195015642","","","0.71073","MolybdenumKα","","0.033","0.033","","0.026","0.026","","","","1.03","1.03","1.03","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004929","9.734","0.001","17.075","0.001","9.764","0.001","90","","96.4","0.01","90","","1612.7","0.3","295","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(trimethylsilyl)-3-methyl-3H-benz[f]indolyl-3-hydroperoxide","","- C16 H19 N O2 Si -","- C16 H19 N O2 Si -","- C64 H76 N4 O8 Si4 -","4","2","TA1061","Morales, G. A.; Fronczek, F. R.","A Kryptoracemic Hydroperoxide","Acta Crystallographica Section C","1996","52","5","1266","1268","10.1107/S010827019501537X","","","1.54184","CuKα","","","0.041","","","0.048","","","","","2.146","2.146","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2004930","8.075","0.003","8.382","0.002","22.978","0.007","90","","90","","90","","1555.3","0.8","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,2S,4R)-2-benzoyloxy-4-methoxy-5-(1-methylethyl)-6,8- dioxabicyclo[3.2.1]octane","","- C17 H24 O4 -","- C17 H24 O4 -","- C68 H96 O16 -","4","1","TA1065","Gainsford, G. J.; Tyler, P. C.; Furneaux, R. H.","(1<i>R</i>,2<i>S</i>,4<i>R</i>)-2-Benzyloxy-4-methoxy-5-(1-methylethyl)-6,8-dioxabicyclo[3.2.1]octane and (1<i>R</i>,2<i>S</i>,4<i>R</i>)-2-Benzyloxy-4-methoxy-2-methyl-6,8-dioxabicyclo[3.2.1]octane","Acta Crystallographica Section C","1996","52","5","1274","1277","10.1107/S0108270195015964","","","0.71069","MoKα","","0.0688","0.0524","","0.1316","0.1231","","","","1.041","1.11","1.11","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004931","5.934","0.003","6.907","0.003","32.751","0.018","90","","90","","90","","1342.3","1.2","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,6-anhydro-4-O-benzyl-3-deoxy-4-C-methyl-2-O-methyl-β-D-ribo-hexopyranose","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","TA1065","Gainsford, G. J.; Tyler, P. C.; Furneaux, R. H.","(1<i>R</i>,2<i>S</i>,4<i>R</i>)-2-Benzyloxy-4-methoxy-5-(1-methylethyl)-6,8-dioxabicyclo[3.2.1]octane and (1<i>R</i>,2<i>S</i>,4<i>R</i>)-2-Benzyloxy-4-methoxy-2-methyl-6,8-dioxabicyclo[3.2.1]octane","Acta Crystallographica Section C","1996","52","5","1274","1277","10.1107/S0108270195015964","","","0.71069","MoKα","","0.0969","0.0585","","0.1374","0.1131","","","","0.983","1.094","1.094","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004932","8.978","0.002","8.689","0.002","10.702","0.002","90","","106.98","0.03","90","","798.5","0.3","295","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 N2 O4 -","- C14 H24 N2 O4 -","- C28 H48 N4 O8 -","2","0.5","VJ1033","Zhang, S.-W.; Liu, Q.; Wei, Y. G.; Shao, M.-C.","Anti-Cancer Agents. I. <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetraacetylhexamethylenediamine","Acta Crystallographica Section C","1996","52","5","1238","1239","10.1107/S0108270195014892","","","0.71073","MoKα","","","0.0563","","","0.0534","","","","","0.5","0.5","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004933","31.208","0.002","8.7588","0.0004","10.9435","0.0011","90","","101.706","0.003","90","","2929.1","0.4","298","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 O2 -","- C17 H24 O2 -","- C136 H192 O16 -","8","1","CF1040","Harmata, M.; Elomari, S.; Barnes, C. L.","(±)-(3a<i>R</i>*,6<i>S</i>*,7<i>S</i>*,14a<i>R</i>*)-2,3,3a,7,8,9,10,11,12,13,14,14a-Dodecahydro-1<i>H</i>,6<i>H</i>-3a,6-epoxy-7,14a-methanocyclopentacyclotridecen-15-one","Acta Crystallographica Section C","1996","52","5","1209","1211","10.1107/S0108270195015782","","","1.54184","CuKα","","","0.054","","","0.09","","","","","3.18","3.18","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004934","7.701","0.002","40.02","0.005","4.6437","0.0006","90","","107.34","0.01","90","","1366.1","0.4","123","","123","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C11 H28 Cl N O -","- C11 H28 Cl N O -","- C44 H112 Cl4 N4 O4 -","4","1","CF1038","Silver, J.; Martin, S.; Marsh, P. J.; Frampton, C. S.","<i>n</i>-Undecylammonium Chloride Monohydrate","Acta Crystallographica Section C","1996","52","5","1261","1263","10.1107/S0108270195015770","","","0.7107","MoKα","","","0.0293","","","0.0324","","","","","1.67","1.67","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004935","7.802","0.003","12.138","0.002","14.748","0.002","95.77","0.01","99.33","0.02","104.28","0.02","1321.1","0.6","293","","293","","","","","","","","","4","P -1","-P 1","2","(Me~3~TTF)~2~C(OH)Me","[1,1'-bis(3',4,4'-trimethyl-tetrathiafulvalen-3-yl)] hemi-ethanol solvate","","- C21 H25 O1.5 S8 -","- C22 H22 O2 S8 -","- C44 H44 O4 S16 -","2","1","AB1303","Dolbecq, A.; Fourmigué, M.; Batail, P.","1,1-Bis(3',4,4'-trimethyltetrathiafulvalen-3-yl)ethanol Ethanol Hemisolvate; a New Bifunctional π-Donor Molecule","Acta Crystallographica Section C","1996","52","6","1543","1545","10.1107/S0108270196000509","","","0.71073","MoKα","","0.094","0.053","","0.081","0.057","","","","1.527","1.373","1.373","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004936","9.692","0.003","13.232","0.004","29.968","0.007","90","","91.31","0.03","90","","3842.2","1.9","178","2","178","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","(Z)-2,3-Bis-4'-[2.2.2]paracyclophanyl-but-2-ene","","- C52 H52 -","- C52 H52 -","- C208 H208 -","4","1","AB1325","Jones, P. G.; Bubenitschek, P.; Heirtzler, F.; Hopf, H.","(<i>Z</i>)-2,3-Bis(4'-[2.2.2]paracyclophanyl)but-2-ene and μ-η6:η6-[(<i>Z</i>)-2,3-Bis(4'-[2.2.2]paracyclophanyl)but-2-ene]-bis[(hexafluoroantimonato-<i>F</i>)silver(I)] Toluene Dichloromethane (1/1/1)","Acta Crystallographica Section C","1996","52","6","1380","1384","10.1107/S0108270195017008","","","0.71073","MoKα","","0.1151","0.0693","","0.1957","0.1506","","","","1.069","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004937","17.288","0.003","12.159","0.002","27.527","0.004","90","","97.06","0.02","90","","5742.4","1.6","163","2","163","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","{(Z)-2,3-Bis-4'-[2.2.2]paracyclophanyl-but-2-ene}-bis{silver(I) hexafluoroantimonate toluene dichloromethane (1:1:1)","","- C60 H62 Ag2 Cl2 F12 Sb2 -","- C60 H59 Ag2 Cl2 F12 Sb2 -","- C240 H236 Ag8 Cl8 F48 Sb8 -","4","0.5","AB1325","Jones, P. G.; Bubenitschek, P.; Heirtzler, F.; Hopf, H.","(<i>Z</i>)-2,3-Bis(4'-[2.2.2]paracyclophanyl)but-2-ene and μ-η6:η6-[(<i>Z</i>)-2,3-Bis(4'-[2.2.2]paracyclophanyl)but-2-ene]-bis[(hexafluoroantimonato-<i>F</i>)silver(I)] Toluene Dichloromethane (1/1/1)","Acta Crystallographica Section C","1996","52","6","1380","1384","10.1107/S0108270195017008","","","0.71073","MoKα","","0.0523","0.0429","","0.1131","0.0994","","","","1.052","1.046","1.046","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004938","14.8208","0.0012","8.1939","0.0004","17.4844","0.0009","90","","91.185","0.004","90","","2122.9","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N-dibenzoyl-2-phenylbenzylamine","","- C27 H21 N O2 -","- C27 H21 N O2 -","- C108 H84 N4 O8 -","4","1","AB1326","Blake, A. J.; Cullen, K. E.; Sharp, J. T.","<i>N</i>,<i>N</i>-Dibenzoyl-2-phenylbenzylamine","Acta Crystallographica Section C","1996","52","6","1546","1548","10.1107/S0108270195017033","","","0.71073","MoKα","","0.0558","0.0347","","0.1044","0.0936","","","","1.034","1.086","1.086","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004939","26.319","0.007","16.313","0.004","17.842","0.004","90","","90","","90","","7660","3","178","2","178","2","","","","","","","","2","F d d 2","F 2 -2d","43","","1,4-bis-4'-[2.2.2]Paracyclophanyl-buta-1,3-diyne","","- C52 H46 -","- C52 H46 -","- C416 H368 -","8","0.5","AB1332","Jones, P. G.; Heirtzler, F.; Hopf, H.","1,4-Bis(4'-[2.2.2]paracyclophanyl)buta-1,3-diyne and its Bis[silver(I) hexafluoroantimonate] Complex","Acta Crystallographica Section C","1996","52","6","1384","1388","10.1107/S0108270195016994","","","0.71073","MoKα","","0.0916","0.0411","","0.1182","0.0902","","","","0.989","1.016","1.016","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004940","13.662","0.005","11.267","0.005","18.225","0.007","90","","105.83","0.03","90","","2699","1.9","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{(1,4-bis-4'-[2.2.2]Paracyclophanyl-buta-1,3-diyne)bis(silver(I)} Bis-Hexafluoroantimonate Dichloromethane Solvate (1:2)","","- C54 H50 Ag2 Cl4 F12 Sb2 -","- C54 H50 Ag2 Cl4 F12 Sb2 -","- C108 H100 Ag4 Cl8 F24 Sb4 -","2","0.5","AB1332","Jones, P. G.; Heirtzler, F.; Hopf, H.","1,4-Bis(4'-[2.2.2]paracyclophanyl)buta-1,3-diyne and its Bis[silver(I) hexafluoroantimonate] Complex","Acta Crystallographica Section C","1996","52","6","1384","1388","10.1107/S0108270195016994","","","0.71073","MoKα","","0.1038","0.0662","","0.1824","0.1466","","","","1.044","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004941","9.781","0.002","10.597","0.002","20.216","0.004","101.49","0.03","93.85","0.03","109.53","0.03","1914.8","0.8","193","2","193","2","","","","","","","","4","P -1","-P 1","2","Tetrakis(diphenylamido)hafnium","Tetrakis(diphenylamido)hafnium","","- C48 H40 Hf N4 -","- C48 H40 Hf N4 -","- C96 H80 Hf2 N8 -","2","1","AB1336","Polamo, M.; Mutikainen, I.; Leskelä, M.","Tetrakis(diphenylamido-<i>N</i>)hafnium","Acta Crystallographica Section C","1996","52","6","1348","1350","10.1107/S0108270196001035","","","0.71073","MoKα","","0.032","0.0305","","0.0757","0.0741","","","","1.038","1.037","1.037","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004942","6.9936","0.0006","13.1255","0.0012","17.988","0.006","90","","90","","90","","1651.2","0.6","294","1","294","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Diiodobis(phenylsulfonyl)methane","","- C13 H10 I2 O4 S2 -","- C13 H10 I2 O4 S2 -","- C52 H40 I8 O16 S8 -","4","1","AB1343","Glidewell, C.; Ferguson, G.; Nikas, S.; Varvoglis, A.","Accurate Redetermination of Diiodobis(phenylsulfonyl)methane, (PhSO~2~)~2~CI~2~","Acta Crystallographica Section C","1996","52","6","1488","1490","10.1107/S0108270195016647","","","0.7107","MolybdenumKα","","0.0964","0.0481","","0.1115","0.1001","","","","0.961","1.125","1.125","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004943","18.629","0.002","18.629","0.002","29.863","0.005","90","","90","","120","","8975","2","150","0.2","150","0.2","","","","","","","","7","R -3 :H","-R 3","148","","Tris(1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane)ruthenium(II) bis(hexafluorophosphate) dihydrate methanol solvate","","- C37 H80 F12 O15 P2 Ru S6 -","- C36.99 H79.94 F12 O14.98 P2 Ru S6 -","- C221.94 H479.64 F72 O89.88 P12 Ru6 S36 -","6","0.333333","AB1354","Blake, A. J.; Radek, C.; Schröder, M.","Tris(1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane-<i>S</i>,<i>S</i>')ruthenium(II) Bis(hexafluorophosphate)‒Water‒Methanol (1/2/1)","Acta Crystallographica Section C","1996","52","6","1401","1403","10.1107/S0108270196001497","","","0.71073","MoKα","","0.0453","0.0361","","0.1275","0.1002","","","","1.039","1.052","1.052","","","","","has coordinates","191017","2020-10-21","18:00:00",""
"2004944","7.386","0.001","11.81","0.001","17.197","0.002","90","","90","","90","","1500.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","p-N,N-Dimethylaminobenzaldehyde Isonicotinylhydrazone Monohydrate.","","- C15 H18 N4 O2 -","- C15 H18 N4 O2 -","- C60 H72 N16 O8 -","4","1","AS1221","Fun, H.-K.; Sivakumar, K.; Lu, Z.-L.; Duan, C.-Y.; Tian, Y.-P.; You, X.-Z.","<i>p</i>-(Dimethylamino)benzaldehyde Isonicotinoylhydrazone Monohydrate","Acta Crystallographica Section C","1996","52","6","1505","1507","10.1107/S0108270196000303","","","0.71073","MoKα","","0.0536","0.0336","","0.0864","0.0789","","","","0.928","1.049","1.049","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004945","6.417","0.001","8.378","0.001","12.503","0.002","94.02","0.01","92.19","0.01","91.66","0.01","669.7","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","p-Nitrobenzaldehyde Nictonylhydrazone Monohydrate.","","- C13 H12 N4 O4 -","- C13 H12 N4 O4 -","- C26 H24 N8 O8 -","2","1","AS1222","Lu, Z.-L.; Duan, C.-Y.; Tian, Y.-P.; You, X.-Z.; Fun, H.-K.; Sivakumar, K.","<i>p</i>-Nitrobenzaldehyde Nicotinoylhydrazone Monohydrate","Acta Crystallographica Section C","1996","52","6","1507","1509","10.1107/S0108270195016702","","","0.71073","MoKα","","0.0624","0.0486","","0.1599","0.1492","","","","1.108","1.22","1.22","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004946","11.6086","0.0015","7.7966","0.0009","15.2545","0.0014","90","","104.52","0.007","90","","1336.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 I N O2 S -","- C13 H12 I N O2 S -","- C52 H48 I4 N4 O8 S4 -","4","1","BK1198","Protasiewicz, J. D.","(Tosyliminoiodo)benzene at 298K","Acta Crystallographica Section C","1996","52","6","1570","1572","10.1107/S0108270195016659","","","0.71073","MoKα","","0.0385","0.028","","0.106","0.0598","","","","1.11","1.147","1.147","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004947","14.498","0.005","9.263","0.003","14.703","0.004","90","","103.16","0.02","90","","1922.7","1.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","DADLE HCl","[D-Ala^2^,D-Leu^5^]-enkephalin hydrochloride","","- C33 H48 Cl N5 O8 -","- C33 H47 Cl N5 O8 -","- C66 H94 Cl2 N10 O16 -","2","1","BK1199","Deschamps, J. R.; George, C.; Flippen-Anderson, J. L.","[ <small>D</small>-Ala^2^, <small>D</small>-Leu^5^]-Enkephalin Hydrochloride","Acta Crystallographica Section C","1996","52","6","1583","1585","10.1107/S0108270196000534","","","1.54178","CuKα","","0.1279","0.0811","","0.2138","0.1824","","","","1.094","1.236","1.236","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004948","6.752","0.001","12.44","0.001","16.251","0.001","90","","90","","90","","1365","0.2","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","β-isopipitzol","(1R,3R,6r,11R)-1,2,2,6,-tetramethyl-8-hydroxytriciclo[5.2.2.0^3,11^] undec-7-en-9,10-dione","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","BK1206","Hernández-Ortega, S.; Yuste, F.; Ortiz, B.; Barrios, H.; Sánchez-Obregón, R.; Walls, F.","β-Isopipitzol","Acta Crystallographica Section C","1996","52","6","1452","1454","10.1107/S0108270195015988","","","1.5418","CuKα","","0.0619","0.057","","0.0823","0.075","","","","","1.32","1.32","","","","","has coordinates","198488","2020-10-21","18:00:00",""
"2004949","10.082","0.002","10.912","0.002","12.228","0.002","98.105","0.015","108.339","0.014","106.541","0.015","1184.1","0.4","130","2","","","","","","","","","","3","P -1","-P 1","2","","5,8-Bis(trimethylsilyl)-6,7-dihydroindeno[2,1c]fluorene","","- C26 H32 Si2 -","- C26 H32 Si2 -","- C52 H64 Si4 -","2","1","BK1209","Olmstead, M. M.; Hitchcock, S. R.; Nantz, M. H.","Cyclohexane-Linked Indenyl Rings in 5,8-Bis(trimethylsilyl)-6,7,12b,12c-tetrahydroindeno[2,1-<i>c</i>]fluorene","Acta Crystallographica Section C","1996","52","6","1523","1525","10.1107/S0108270196000054","","","0.71073","MoKα","","0.0708","0.052","","0.1357","0.1231","","","","1.034","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004950","14.963","0.006","6.093","0.003","12.228","0.005","90","","100.14","0.02","90","","1097.4","0.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(4aRS,4bSR,6RS,8aRS,8bSR) 6-methyl-3,4,4a,4b,5,6,7,8,8a,8b-decahydro- 2H-benzofuro[2,3,b]pyran","","- C12 H20 O2 -","- C12 H20 O2 -","- C48 H80 O8 -","4","1","BM1023","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.","New Routes to Pyranotetrahydrofuran Derivatives","Acta Crystallographica Section C","1996","52","6","1530","1532","10.1107/S0108270195014405","","","1.54178","CuKα","","0.0607","0.054","","0.1109","0.1064","","","","1.222","1.227","1.227","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004951","15.875","0.009","13.09","0.01","13.771","0.008","90","","90","","90","","2862","3","153","","153","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H11 N O3 S -","- C17 H11 N O3 S -","- C136 H88 N8 O24 S8 -","8","2","BM1049","Alves, J. A. C.; Brigas, A. F.; Johnstone, R. A. W.","3-(1-Naphthyloxy)-1,2-benzisothiazole 1,1-Dioxide: Electronic Effects of Conjugation","Acta Crystallographica Section C","1996","52","6","1576","1579","10.1107/S0108270196000935","","","0.7107","MoKα","","","0.0449","","","0.0491","","","","","1.586","1.586","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004952","7.204","0.001","11.752","0.002","15.057","0.001","103.14","0.01","98.37","0.01","92.45","0.01","1224.3","0.3","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 Co N4 O20 -","- C14 H22 Co N4 O20 -","- C28 H44 Co2 N8 O40 -","2","1","BM1053","Tahir, M. N.; Ülkü, D.; Mövsümov, E. M.","Tetraaquabis(3,5-dinitrobenzoato-<i>O</i>)cobalt(II) Tetrahydrate","Acta Crystallographica Section C","1996","52","6","1392","1394","10.1107/S010827019600128X","","","0.71073","MoKα","","","0.036","","","0.042","","","","","1.27","1.27","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004953","13.702","0.002","12.498","0.002","7.894","0.001","90","","90","","90","","1351.8","0.3","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","Hexaiododisilane","Hexaiododisilane","","- I6 Si2 -","- I6 Si2 -","- I24 Si8 -","4","0.5","BR1117","Jansen, M.; Friede, B.","Hexaiododisilane","Acta Crystallographica Section C","1996","52","6","1333","1334","10.1107/S0108270196000820","","","0.71073","MoKα","","0.071","0.0608","","0.1712","0.165","","","","1.232","1.306","1.306","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004954","13.298","0.002","10.08","0.002","13.637","0.004","90","","92.39","0.02","90","","1826.4","0.7","292","","292","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sr (ReO4)2 . 2H2O","","- H4 O10 Re2 Sr -","- H4 O10 Re2 Sr -","- H32 O80 Re16 Sr8 -","8","2","BR1122","Todorov, T.; Angelova, O.; Macícek, J.","The Covert Water in the Structure of Sr(ReO~4~)~2~.2H~2~O: a Revision of the Sesquihydrate Model","Acta Crystallographica Section C","1996","52","6","1319","1323","10.1107/S0108270195016362","","","0.71073","MoKα","","0.102","0.038","","0.191","0.05","","","","2.998","0.808","0.808","","","","","has coordinates","191094","2020-10-21","18:00:00",""
"2004955","4.024","0.003","4.024","0.003","5.113","0.004","90","","90","","120","","71.7","0.09","113","2","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Pd Te2 -","- Pd Te2 -","- Pd Te2 -","1","0.0833333","BR1127","Pell, M. A.; Mironov, Y. V.; Ibers, J. A.","PdTe~2~","Acta Crystallographica Section C","1996","52","6","1331","1332","10.1107/S0108270195016246","","","0.7107","MoKα","","","0.0262","","","0.0648","","","","","1.325","1.325","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004956","4.555","0.002","4.555","","9.772","0.006","90","","90","","90","","202.75","0.15","293","","20","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Bi2 Ce Cu0.71 -","- Bi2 Ce Cu0.7055 -","- Bi4 Ce2 Cu1.411 -","2","0.125","BR1129","Ye, J.; Huang, Y. K.; Kadowaki, K.; Matsumoto, T.","A Novel Intermetallic Compound, CeCu~1{-~<i>x</i>}Bi~2~","Acta Crystallographica Section C","1996","52","6","1323","1325","10.1107/S0108270195016738","","","0.7107","MoKα","","","0.0483","","","0.0482","","","","","1.16","1.16","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004957","6.499","0.001","14.191","0.004","7.607","0.002","90","","93.95","0.02","90","","699.9","0.3","296","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- As2 H4 Mg2 O9 -","- As2 H4 Mg2 O9 -","- As8 H16 Mg8 O36 -","4","1","BR1130","Wu, C.-H.; Chen, T.-C.; Wang, S.-L.","Two Hydrous Divalent-Metal Diarsenates","Acta Crystallographica Section C","1996","52","6","1326","1329","10.1107/S0108270195016350","","","","MoKα","","","0.0253","","","0.0278","","","","","0.997","0.997","","","","","has coordinates","278315","2022-10-03","11:11:45",""
"2004958","6.496","0.021","14.211","0.006","7.628","0.004","90","","93.91","0.04","90","","703","2","296","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- As2 H4 O9 Zn2 -","- As2 O9 Zn2 -","- As8 O36 Zn8 -","4","1","BR1130","Wu, C.-H.; Chen, T.-C.; Wang, S.-L.","Two Hydrous Divalent-Metal Diarsenates","Acta Crystallographica Section C","1996","52","6","1326","1329","10.1107/S0108270195016350","","","","MoKα","","","0.059","","","0.0616","","","","","0.76","0.76","","","","","has coordinates","278318","2022-10-03","11:48:11",""
"2004959","7.429","0.002","13.906","0.009","9.157","0.002","90","","110.72","0.02","90","","884.8","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Potassium Molybdenyl Diarsenate","","- As2 K2 Mo O9 -","- As2 K2 Mo O9 -","- As8 K8 Mo4 O36 -","4","1","BR1131","Zid, M. F.; Jouini, T.","K~2~MoO~2~As~2~O~7~","Acta Crystallographica Section C","1996","52","6","1334","1336","10.1107/S0108270195016726","","","0.71069","MoKα","","0.0368","0.0247","","0.052","0.0494","","","","1.221","1.29","1.29","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004960","9.491","0.003","12.201","0.006","18.786","0.012","81.27","0.03","81.02","0.02","71.12","0.02","2021.2","1.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","barium decavanadate enneahydrate","","- Ba3 H6 O31 V10 -","- Ba3 O47 V10 -","- Ba6 O94 V20 -","2","1","BR1133","Kamenar, B.; Cindrić, M.; Strukan, N.","Ba~3~[V~10~O~28~].19H~2~O","Acta Crystallographica Section C","1996","52","6","1338","1341","10.1107/S0108270195017124","","","0.71069","MoKα","","0.081","0.0587","","0.1869","0.1557","","","","1.031","1.051","1.051","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004961","17.797","0.003","10.2594","0.0006","7.4438","0.0005","90","","98.44","0.01","90","","1344.4","0.3","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","p-nitrophenyl-α-D-mannopyranoside hemihydrate","","- C24 H32 N2 O17 -","- C24 H32 N2 O17 -","- C48 H64 N4 O34 -","2","1","CF1032","Fernandez-Castaño, C.; Foces-Foces, C.","<i>p</i>-Nitrophenyl α-<small>D</small>-Mannopyranoside Hemihydrate","Acta Crystallographica Section C","1996","52","6","1586","1588","10.1107/S0108270196000728","","","1.5418","CuKα","","0.069","0.069","","0.069","0.069","","","","1.017","1.017","1.017","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004962","6.7341","0.0006","19.76","0.002","8.1797","0.0015","90","","102.085","0.009","90","","1064.3","0.2","294","1","294","1","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1,3-adamantanedicarboxylic acid","","- C12 H16 O4 -","- C12 H15.806 O4 -","- C48 H63.224 O16 -","4","1","CF1046","Glidewell, C.; Ferguson, G.","1,3-Adamantanedicarboxylic Acid and 1,3-Adamantanediacetic Acid","Acta Crystallographica Section C","1996","52","6","1466","1470","10.1107/S0108270195016593","","","0.7107","MoKα","","0.1444","0.0499","","0.1458","0.1233","","","","0.863","1.186","1.186","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004963","23.677","0.014","7.739","0.005","14.73","0.014","90","","110.23","0.05","90","","2533","3","294","1","294","1","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1,3-Adamantanediacetic acid","","- C14 H20 O4 -","- C14 H20 O4 -","- C112 H160 O32 -","8","2","CF1046","Glidewell, C.; Ferguson, G.","1,3-Adamantanedicarboxylic Acid and 1,3-Adamantanediacetic Acid","Acta Crystallographica Section C","1996","52","6","1466","1470","10.1107/S0108270195016593","","","0.7107","MoKα","","0.1517","0.0654","","0.186","0.1641","","","","0.967","1.327","1.327","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004964","9.548","0.007","11.924","0.011","12.714","0.01","90","","94.68","0.06","90","","1443","2","298","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 I2 Sn -","- C12 H10 I2 Sn -","- C48 H40 I8 Sn4 -","4","1","CF1048","Howie, R. A.; Wardell, J. L.","Diphenyltin Diiodide","Acta Crystallographica Section C","1996","52","6","1424","1426","10.1107/S0108270195016945","","","0.71073","MoKα","","","0.048","","","0.066","","","","","0.75","0.75","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004965","7.839","0.007","8.281","0.007","13.113","0.009","92.77","0.06","104.85","0.06","120.82","0.06","689.9","1.1","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 N2 O4 S3 -","- C12 H8 N2 O4 S3 -","- C24 H16 N4 O8 S6 -","2","1","CF1050","Howie, R. A.; Wardell, J. L.","Bis(2-nitrophenyl) Trisulfide","Acta Crystallographica Section C","1996","52","6","1533","1534","10.1107/S010827019600073X","","","0.71073","MoKα","","","0.049","","","0.042","","","","","1.45","1.45","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004966","6.884","0.001","8.809","0.002","12.17","0.002","90","","91.99","0.03","90","","737.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,6R,9S)-6-Benzamido-9-hydroxymethyl-8-oxabicyclo[4.3.0]non-3-en-7-one","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C32 H34 N2 O8 -","2","1","CF1053","Buñuel, E.; Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.","A Lactone Derived from an Amino Acid with a Cyclohexyl Skeleton: (1<i>S</i>,6<i>R</i>,9<i>S</i>)-6-Benzamido-9-hydroxymethyl-8-oxabicyclo[4.3.0]non-3-en-7-one","Acta Crystallographica Section C","1996","52","6","1456","1458","10.1107/S0108270195016581","","","0.71073","MoKα","","0.0637","0.0396","","0.133","0.0908","","","","1.039","1.077","1.077","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004967","10.359","0.002","12.218","0.002","13.53","0.003","90","","110.64","0.03","90","","1602.5","0.6","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Flurtamone","Flurtamone, 5-methylamino-2-phenyl-4 (a,a,a,-trifluoro-m-tolyl) furan-3(2H)-one.","","- C18 H14 F3 N O2 -","- C18 H14 F3 N O2 -","- C72 H56 F12 N4 O8 -","4","1","CF1058","Pèpe, G.; Pfefer, G.; Astier, J. P.; Marchal, P.; Bossy, A.","Flurtamone","Acta Crystallographica Section C","1996","52","6","1514","1516","10.1107/S0108270196000868","","","1.5418","CuKα","","0.056","0.056","","0.056","0.056","","","","0.78","0.78","0.78","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2004968","3.841","0.001","27.234","0.003","7.3616","0.0008","90","","102.09","0.014","90","","753","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","potassium phthalimide","","","- C8 H4 K N O2 -","- C8 H4 K N O2 -","- C32 H16 K4 N4 O8 -","4","1","CF1066","Nagel, N.; Bock, H.; Bats, J. W.","Potassium Phthalimide","Acta Crystallographica Section C","1996","52","6","1344","1346","10.1107/S0108270196002387","","","1.5418","CuKα","","0.038","0.0323","","0.1007","0.0894","","","","1.092","1.087","1.087","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004969","9.803","0.002","10.467","0.003","23.386","0.004","90","","95.69","0.01","90","","2387.8","0.9","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 O3 P S -","- C28 H21 O3 P S -","- C112 H84 O12 P4 S4 -","4","1","DE1007","Mani Naidu, S.; Krishnaiah, M.; Sivakumar, K.","8-(4-Methylphenoxy)-16<i>H</i>-dinaphtho[2,1-<i>d</i>:1',2'-<i>g</i>][1,3,2]dioxaphosphocine 8-sulfide","Acta Crystallographica Section C","1996","52","6","1556","1558","10.1107/S0108270195015538","","","0.71073","MoKα","","","0.042","","","0.051","","","","","1.35","1.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004970","7.63","0.001","35.156","0.005","8.505","0.001","90","","90","","90","","2281.4","0.5","293","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C96 H112 N16 O32 -","8","1","DE1008","Magotra, D. K.; Gupta, V. K.; Rajnikant; Goswami, K. N.; Thappa, R. K.; Agarwal, S. G.","7-Methoxyvasicinone Hydrate","Acta Crystallographica Section C","1996","52","6","1491","1493","10.1107/S0108270195010870","","","0.71073","MoKα","","","0.049","","","0.149","","","","","0.703","0.703","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004971","10.683","0.002","16.996","0.005","18.77","0.003","90","","90","","90","","3408","1.3","295","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H25 N O2 -","- C19 H25 N O2 -","- C152 H200 N8 O16 -","8","1","DE1018","Thiruvalluvar, A.; Parthasarathi, V.; Natarajan, D.; Bhavani, N.; Bhadbhade, M.","<i>N</i>-Acetyl-3-ethyl-2-phenyldecahydroquinolin-4-one, C~19~H~25~NO~2~","Acta Crystallographica Section C","1996","52","6","1563","1565","10.1107/S0108270195015149","","","1.54184","CuKα","","","0.045","","","0.053","","","","","1.57","1.57","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004972","21.04","0.002","7.936","0.002","20.444","0.002","90","","116.44","0.01","90","","3056.5","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Spermine dilithium cyclohexaphosphate tetrahydrate","4,9,12-triazoniadoceylammonium Dilithiumcyclohexaphosphate Tetrahydrate","","- C10 H38 Li2 N4 O22 P6 -","- C10 H38 Li2 N4 O22 P6 -","- C40 H152 Li8 N16 O88 P24 -","4","0.5","DU1143","Gharbi, A.; Jouini, A.","4,9-Diazonia-1,12-dodecanediammonium Dilithium <i>cyclo</i>-Hexaphosphate Tetrahydrate","Acta Crystallographica Section C","1996","52","6","1342","1344","10.1107/S0108270196000558","","","0.71069","MoKα","","0.0479","0.0326","","0.1092","0.0948","","","","0.906","0.881","0.881","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004973","9.531","0.001","12.12","0.001","14.327","0.002","64.34","0.02","70.61","0.01","82.9","0.01","1406.8","0.4","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H13 Ce N6 O20 -","- C42 H26 Ce2 N12 O40 -","- C42 H26 Ce2 N12 O40 -","1","0.5","FG1076","Tahir, M. N.; Ülkü, D.; Ünaleroglu, C.; Mövsümov, E. M.","Cerium 3,5-Dinitrobenzoate Dihydrate","Acta Crystallographica Section C","1996","52","6","1449","1451","10.1107/S010827019600011X","","","0.71073","MoKα","","","0.044","","","0.044","","","","","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004974","11.598","0.001","14.526","0.001","10.612","0.001","90","","111.5","0.01","90","","1663.4","0.3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dimethyl 2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate","","- C17 H16 N2 O6 -","- C17 H16 N2 O6 -","- C68 H64 N8 O24 -","4","1","FG1105","Rowan, K. R.; Holt, E. M.","Dimethyl 2,6-Dimethyl-4-(3-nitrophenyl)-pyridine-3,5-dicarboxylate, Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, and Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","Acta Crystallographica Section C","1996","52","6","1565","1570","10.1107/S0108270196000091","","","0.71073","MoKα","","0.0641","0.0471","","0.0699","0.0648","","","","","1.53","1.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004975","14.328","0.004","15.292","0.003","8.673","0.002","90","","90","","90","","1900.3","0.8","298","","298","","","","","","","","","4","P n a 21","P 2c -2n","33","","diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate","","- C19 H22 N2 O6 -","- C19 H22 N2 O6 -","- C76 H88 N8 O24 -","4","1","FG1105","Rowan, K. R.; Holt, E. M.","Dimethyl 2,6-Dimethyl-4-(3-nitrophenyl)-pyridine-3,5-dicarboxylate, Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, and Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","Acta Crystallographica Section C","1996","52","6","1565","1570","10.1107/S0108270196000091","","","0.71073","MoKα","","0.1097","0.0482","","0.0745","0.0537","","","","","1.16","1.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004976","12.018","0.001","19.517","0.002","8.606","0.001","90","","109.92","0.01","90","","1897.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","diethyl 2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate","","- C19 H20 N2 O6 -","- C19 H21 N2 O6 -","- C76 H84 N8 O24 -","4","1","FG1105","Rowan, K. R.; Holt, E. M.","Dimethyl 2,6-Dimethyl-4-(3-nitrophenyl)-pyridine-3,5-dicarboxylate, Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, and Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","Acta Crystallographica Section C","1996","52","6","1565","1570","10.1107/S0108270196000091","","","0.71073","MoKα","","0.1452","0.0587","","0.1605","0.1064","","","","0.984","1.134","1.134","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004977","14.021","0.002","15.613","0.002","15.43","0.002","116.34","0.01","124.84","0.01","75.36","0.01","2484.5","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[NBDRh(II-phophos)~2~](BF~4~)~3~","Bis{2-(diphenylphosphinoethyl)trimethylphosphonium}(norbornadiene)rhodium(I) Fluoroborate","","- C43 H58 B3 F12 P4 Rh -","- C43 H58 B3 F12.003 P4 Rh -","- C86 H116 B6 F24.006 P8 Rh2 -","2","1","FG1107","Roszak, A. W.; Renaud, E.; Baird, M. C.","Bis{[3-(diphenylphosphino)propyl]trimethylphosphonium-<i>P</i>}[(2,3,5,6-η)-norbornadiene]rhodium(I) Tris(tetrafluoroborate)","Acta Crystallographica Section C","1996","52","6","1359","1362","10.1107/S0108270195017069","","","0.71069","MoKα","","0.0962","0.0495","","0.1591","0.1228","","","","1.112","1.155","1.155","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004978","23.144","0.003","4.036","0.001","20.956","0.003","90","","103.89","0.01","90","","1900.2","0.6","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C9 H4 S4 -","- C9 H4 S4 -","- C72 H32 S32 -","8","1","FG1109","Parvez, M.; Mesher, S. T. E.; Clark, P. D.","[1,3]Dithiolo[4,5-<i>b</i>][1]benzothiophene-2-thione","Acta Crystallographica Section C","1996","52","6","1503","1505","10.1107/S0108270195016532","","","0.71069","MoKα","","","0.0562","","","0.0569","","","","","2.856","2.856","","","","","has coordinates","199444","2020-10-21","18:00:00",""
"2004979","12.2102","0.0008","31.464","0.002","8.368","0.002","90","","90","","90","","3214.8","0.8","294","","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H48 N4 O4 -","- C31 H48 N4 O5 -","- C124 H192 N16 O20 -","4","1","FG1120","Coleman, J. E.; Patrick, B. O.; Andersen, R. J.; Rettig, S. J.","Hemiasterlin Methyl Ester","Acta Crystallographica Section C","1996","52","6","1525","1527","10.1107/S0108270195016556","","","1.5418","CuKα","","","0.0391","","","0.0375","","","","","2.207","2.207","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004980","3.756","0.001","14.191","0.001","10.911","0.001","90","","99.18","0.01","90","","574.12","0.17","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-aminopyrazine-2-carboxylic acid","","","- C5 H5 N3 O2 -","- C5 H5 N3 O2 -","- C20 H20 N12 O8 -","4","1","FG1125","A. J. Dobson; R. E. Gerkin","3-Aminopyrazine-2-carboxylic Acid","Acta Crystallographica Section C","1996","52","6","1512","1514","10.1107/S0108270195016416","","","0.71073","MoKα","","","0.045","","","0.053","","","","","1.8","1.8","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004981","10.454","0.002","5.507","0.002","18","0.002","90","","99.9","0.01","90","","1020.8","0.4","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Alpha-fluorene-4-carboxylic acid","","","- C14 H10 O2 -","- C14 H10 O2 -","- C56 H40 O8 -","4","1","FG1130","Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.","Two <i>P</i>2~1~/<i>n</i> Monoclinic Phases of Fluorene-4-carboxylic Acid at 296K","Acta Crystallographica Section C","1996","52","6","1482","1486","10.1107/S0108270195016179","","","0.71073","MoKα","","","0.048","","","0.037","","","","","1.9","1.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004982","9.308","0.002","12.464","0.002","17.833","0.002","90","","95.29","0.01","90","","2060.1","0.6","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Beta-fluorene-4-carboxylic acid","","","- C14 H10 O2 -","- C14 H10 O2 -","- C112 H80 O16 -","8","2","FG1130","Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.","Two <i>P</i>2~1~/<i>n</i> Monoclinic Phases of Fluorene-4-carboxylic Acid at 296K","Acta Crystallographica Section C","1996","52","6","1482","1486","10.1107/S0108270195016179","","","0.71073","MoKα","","","0.045","","","0.047","","","","","1.5","1.5","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004983","12.129","0.001","11.116","0.001","9.716","0.001","90","","93.95","0.01","90","","1306.9","0.2","298","","298","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","(Author's name) catena-Poly[(μ2-O,μ-N'(di-2-pyridyl ketone)-N,O)μ2-O,μ-N(di-2- pyridyl ketone)-N',O]silver(I) tetrafluoroborate","","- C11 H8 Ag B F4 N2 O -","- C11 H8 Ag B F8 N2 O -","- C44 H32 Ag4 B4 F32 N8 O4 -","4","0.5","FG1132","Sommerer, S. O.; Westcott, B. L.; Jircitano, A. J.; Abboud, K. A.","<i>catena</i>-Poly[silver-μ-(di-2-pyridyl ketone)-<i>N</i>,<i>O</i>:<i>N</i>',<i>O</i>] Tetrafluoroborate","Acta Crystallographica Section C","1996","52","6","1426","1428","10.1107/S0108270196001503","","","0.71073","MoKα","","0.0598","0.0456","","0.0671","0.0584","","","","","2.06","2.06","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004984","16.139","0.001","5.117","0.001","26.887","0.002","90","","90","","90","","2220.4","0.5","296","","296","","","","","","","","","3","P n a 21","P 2c -2n","33","Xanthene-9-carboxylic acid","","","- C14 H10 O3 -","- C14 H10 O3 -","- C112 H80 O24 -","8","2","FG1134","Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.","Xanthene-9-carboxylic Acid","Acta Crystallographica Section C","1996","52","6","1486","1488","10.1107/S0108270195016167","","","0.71073","MoKα","","","0.058","","","0.046","","","","","1.32","1.32","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004985","3.809","0.001","19.911","0.002","13.206","0.002","90","","91.28","0.01","90","","1001.3","0.3","296","1","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 O3 -","- C14 H8 O3 -","- C56 H32 O12 -","4","1","FG1139","Coté, M. L.; Lalancette, R. A.; Thompson, H. W.","1-Carboxyfluorenone: an Intramolecularly Hydrogen-Bonded γ-Keto Acid","Acta Crystallographica Section C","1996","52","6","1535","1537","10.1107/S0108270195016155","","","0.71073","MoKα","","0.129","0.047","","0.117","0.091","","","","0.75","1.02","1.02","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004986","8.031","0.002","10.583","0.002","14.655","0.004","90","","96.25","0.03","90","","1238.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Pt(MeIm)~4~](ClO~4~)~2~","Tetrakis(1-methylimidazole)platinum(II) Perchlorate","","- C16 H24 Cl2 N8 O8 Pt -","- C16 H24 Cl2 N8 O8 Pt -","- C32 H48 Cl4 N16 O16 Pt2 -","2","0.5","FG1141","Roszak, A. W.; Clement, O.; Buncel, E.","A Monoclinic Form of Tetrakis(1-methylimidazole-<i>N</i>^3^)platinum(II) Diperchlorate","Acta Crystallographica Section C","1996","52","6","1362","1365","10.1107/S0108270196000984","","","0.71069","MoKα","","0.058","0.0313","","0.0995","0.0847","","","","1.052","1.14","1.14","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004987","12.214","0.003","3.0371","0.0009","5.7981","0.0009","90","","103.83","0.02","90","","208.85","0.09","273.2","","273","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Ga2 O3 -","- Ga2 O3 -","- Ga8 O12 -","4","0.5","FG1144","Åhman, J.; Svensson, G.; Albertsson, J.","A Reinvestigation of β-Gallium Oxide","Acta Crystallographica Section C","1996","52","6","1336","1338","10.1107/S0108270195016404","","","0.7107","MoKα","","","0.022","","","0.032","","","","","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004988","14.204","0.002","16.381","0.003","11.878","0.002","96.13","0.01","92.42","0.01","64.94","0.01","2489.2","0.7","294.2","","294.2","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Cl3.86 O0.14 P2 Re -","- C36 H30 Cl4 O0.666667 P2 Re -","- C108 H90 Cl12 O2 P6 Re3 -","3","1.5","FG1149","Luo, H.; Orvig, C.; Rettig, S. J.","<i>trans</i>-Tetrachlorobis(triphenylphosphine-<i>P</i>)rhenium(IV)‒<i>mer</i>-<i>trans</i>-Trichlorooxobis(triphenylphosphine-<i>P</i>)rhenium(V) (0.86/0.14)","Acta Crystallographica Section C","1996","52","6","1377","1380","10.1107/S0108270196001710","","","0.71069","MoKα","","","0.032","","","0.025","","","","","1.24","1.24","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004989","11.105","0.002","8.978","0.002","17.219","0.001","90","","90.13","0.01","90","","1716.7","0.5","296","","296","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H20 Cl N3 -","- C19 H20 Cl N3 -","- C76 H80 Cl4 N12 -","4","1","FG1153","Parvez, M.; Sabir, A. P.","Clemizole","Acta Crystallographica Section C","1996","52","6","1572","1574","10.1107/S0108270196000819","","","0.71069","MoKα","","","0.0473","","","0.0472","","","","","2.825","2.825","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004990","9.45","0.002","12.383","0.003","14.453","0.002","90","","90","","90","","1691.3","0.6","294.2","","294.2","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H26 O2 Si W -","- C14 H26 O2 Si W -","- C56 H104 O8 Si4 W4 -","4","0.5","FG1161","Legzdins, P.; Rettig, S. J.; Sayers, S. F.","Dioxo(η^5^-pentamethylcyclopentadienyl)(trimethylsilylmethyl)tungsten(VI)","Acta Crystallographica Section C","1996","52","6","1355","1357","10.1107/S0108270196001217","","","0.71069","MoKα","","0.0962","0.0284","","0.0313","0.0257","","","","","1.267","1.267","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004991","8.744","0.002","11.087","0.002","14.511","0.003","106.16","0.02","102.98","0.02","75.31","0.02","1288.9","0.5","295","","295","","","","","","","","","4","P -1","-P 1","2","","2-(4-nitrophenyl)-6[4-(6-acrylyloxy-hexyloxy)-benzoyloxy]benzoxazole","","- C29 H26 N2 O8 -","- C29 H26 N2 O8 -","- C58 H52 N4 O16 -","2","1","HA1148","Centore, R.; Ciajolo, M. R.; Tuzi, A.","Two Mesogenic Nitrobenzoxazoles","Acta Crystallographica Section C","1996","52","6","1499","1503","10.1107/S0108270195014314","","","1.54178","CuKα","","0.1","0.049","","","0.064","","","","","1.758","1.758","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2004992","11.477","0.001","15.123","0.002","17.242","0.002","105.78","0.01","99.22","0.01","107.83","0.01","2642.9","0.6","295","","295","","","","","","","","","4","P -1","-P 1","2","","2-[4-(6-acrylyloxy-hexyloxy)-benzoyloxy]phenyl-6-nitrobenzoxazole","","- C29 H26 N2 O8 -","- C29 H26 N2 O8 -","- C116 H104 N8 O32 -","4","2","HA1148","Centore, R.; Ciajolo, M. R.; Tuzi, A.","Two Mesogenic Nitrobenzoxazoles","Acta Crystallographica Section C","1996","52","6","1499","1503","10.1107/S0108270195014314","","","1.54178","CuKα","","0.211","0.069","","","0.093","","","","","2.505","2.505","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2004993","7.392","0.001","9.888","0.002","10.814","0.002","90","","99.59","0.03","90","","779.4","0.2","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-nitroacetophenone","1-(3-nitrophenyl)-ethanone","","- C8 H7 N O3 -","- C8 H7 N O3 -","- C32 H28 N4 O12 -","4","1","HA1154","Feeder, N.; Jones, W.; Chorlton, A. P.; Docherty, R.","3-Nitroacetophenone","Acta Crystallographica Section C","1996","52","6","1454","1456","10.1107/S0108270195015939","","","0.71073","MoKα","","0.2084","0.0613","","0.2315","0.1592","","","","1.003","1.207","1.207","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004994","7.022","0.002","9.532","0.002","15.811","0.009","90","","99.03","0.03","90","","1045.2","0.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-phthalimidoperpropanoic acid","1,3-dihydro-1,3-dioxo-2H-isoindole-2-propaneperoxoic acid","","- C11 H9 N O5 -","- C11 H8 N O5 -","- C44 H32 N4 O20 -","4","1","HA1155","Feeder, N.; Jones, W.","Four ω-Phthalimidoaliphatic Peracids","Acta Crystallographica Section C","1996","52","6","1516","1520","10.1107/S010827019501701X","","","0.71069","MoKα","","0.1976","0.0707","","0.2769","0.1978","","","","1.001","1.24","1.24","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004995","7.968","0.002","8.463","0.002","9.4295","0.001","85.473","0.01","113.31","0.02","105.37","0.02","562.8","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","4-phthalimidoperbutanoic acid","1,3-dihydro-1,3-dioxo-2H-isoindole-2-butaneperoxoic acid","","- C12 H11 N O5 -","- C12 H10 N O5 -","- C24 H20 N2 O10 -","2","1","HA1155","Feeder, N.; Jones, W.","Four ω-Phthalimidoaliphatic Peracids","Acta Crystallographica Section C","1996","52","6","1516","1520","10.1107/S010827019501701X","","","0.71069","MoKα","","0.0975","0.0439","","0.1378","0.1121","","","","1","1.088","1.088","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004996","6.7773","0.001","4.7222","0.001","19.935","0.004","90","","98.22","0.02","90","","631.4","0.2","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","5-phthalimidoperpentanoic acid","1,3-dihydro-1,3-dioxo-2H-isoindole-2-pentaneperoxoic acid","","- C13 H13 N O5 -","- C13 H12 N O5 -","- C26 H24 N2 O10 -","2","1","HA1155","Feeder, N.; Jones, W.","Four ω-Phthalimidoaliphatic Peracids","Acta Crystallographica Section C","1996","52","6","1516","1520","10.1107/S010827019501701X","","","0.71069","MoKα","","0.1621","0.0611","","0.202","0.1526","","","","1.014","1.144","1.144","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004997","19.028","0.005","4.5724","0.001","15.517","0.006","90","","90.16","0.03","90","","1350","0.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-phthalimidoperhexanoic acid","1,3-dihydro-1,3-dioxo-2H-isoindole-2-hexaneperoxoic acid","","- C14 H15 N O5 -","- C14 H14 N O5 -","- C56 H56 N4 O20 -","4","1","HA1155","Feeder, N.; Jones, W.","Four ω-Phthalimidoaliphatic Peracids","Acta Crystallographica Section C","1996","52","6","1516","1520","10.1107/S010827019501701X","","","0.71069","MoKα","","0.214","0.0497","","0.16","0.1055","","","","0.914","1.113","1.113","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004998","9.681","0.005","5.301","0.003","13.956","0.006","90","","96.16","0.04","90","","712.1","0.6","153","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-isoleucine","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","2","HA1156","Görbitz, Carl Henrik; Dalhus, Bjørn","L-Isoleucine, Redetermination at 120 K","Acta Crystallographica Section C","1996","52","6","1464","1466","10.1107/S0108270195016386","","","0.71069","MoKα","","0.0717","0.0524","","0.1316","0.1223","","","","1.009","1.065","1.065","","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2004999","8.696","0.003","10.421","0.004","17.113","0.008","76.63","0.05","87.31","0.06","72.23","0.05","1436.3","1.1","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H38 N4 O4 P Rh -","- C30 H38 N4 O4 P Rh -","- C60 H76 N8 O8 P2 Rh2 -","2","1","HR1052","Kettmann, V.; Dunaj-Jurčo, M.; Steinborn, D.; Ludwig, M.","<i>tert</i>-Butylbis(dimethylglyoximato-<i>N</i>,<i>N</i>')(triphenylphosphine-<i>P</i>)rhodium","Acta Crystallographica Section C","1996","52","6","1399","1401","10.1107/S0108270195010912","","","0.71073","MoKα","","","0.055","","","0.068","","","","","1.27","1.27","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2005000","7.442","0.003","10.255","0.005","16.128","0.008","90","","90.92","0.05","90","","1230.7","1","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 N2 O3 S -","- C13 H14 N2 O3 S -","- C52 H56 N8 O12 S4 -","4","1","JZ1026","Kettmann, V.; Svetlik, J.","Methyl 9-Methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0^2,7^]trideca-2,4,6-triene-13-carboxylate","Acta Crystallographica Section C","1996","52","6","1496","1499","10.1107/S0108270195008924","","","0.71073","MoKα","","","0.057","","","0.065","","","","","1.23","1.23","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005001","8.233","0.002","10.953","0.002","11.636","0.007","63.85","0.03","80.76","0.02","84.79","0.02","929.4","0.7","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H12 Cl6 Cu N4 S2 -","- C8 H12 Cl6 Cu N4 S2 -","- C16 H24 Cl12 Cu2 N8 S4 -","2","1","JZ1065","Fernández, V.; Doadrio, J. C.; García-Granda, S.; Pertierra, P.","Bis(2-amino-4-chloromethylthiazolium) Tetrachlorocuprate at 200 and 100K and Bis(2-amino-4-methylthiazolium) Tetrachlorocuprate at 100K","Acta Crystallographica Section C","1996","52","6","1412","1415","10.1107/S010827019501225X","","","0.71073","MoKα","","0.0624","0.0426","","0.1324","0.1269","","","","1.126","1.247","1.247","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005002","8.168","0.002","10.919","0.004","11.437","0.008","64.24","0.05","80.03","0.03","84.72","0.03","904.6","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H12 Cl6 Cu N4 S2 -","- C8 H12 Cl6 Cu N4 S2 -","- C16 H24 Cl12 Cu2 N8 S4 -","2","1","JZ1065","Fernández, V.; Doadrio, J. C.; García-Granda, S.; Pertierra, P.","Bis(2-amino-4-chloromethylthiazolium) Tetrachlorocuprate at 200 and 100K and Bis(2-amino-4-methylthiazolium) Tetrachlorocuprate at 100K","Acta Crystallographica Section C","1996","52","6","1412","1415","10.1107/S010827019501225X","","","0.71073","MoKα","","0.0355","0.0283","","0.0816","0.0797","","","","1.032","1.087","1.087","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005003","7.75","0.003","8.474","0.003","13.683","0.007","104.49","0.04","100.02","0.03","102.83","0.03","822.8","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H14 Cl4 Cu N4 S2 -","- C8 H14 Cl4 Cu N4 S2 -","- C16 H28 Cl8 Cu2 N8 S4 -","2","1","JZ1065","Fernández, V.; Doadrio, J. C.; García-Granda, S.; Pertierra, P.","Bis(2-amino-4-chloromethylthiazolium) Tetrachlorocuprate at 200 and 100K and Bis(2-amino-4-methylthiazolium) Tetrachlorocuprate at 100K","Acta Crystallographica Section C","1996","52","6","1412","1415","10.1107/S010827019501225X","","","0.71073","MoKα","","0.0404","0.0284","","0.0774","0.0758","","","","1.03","1.128","1.128","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005004","7.7451","0.0007","7.7451","0.0007","5.6351","0.0006","90","","90","","90","","338.03","0.06","295","2","","","","","","","","","","3","P 42/n m c :1","P 4n 2n -1n","137","","","","- Bi7.5 O12 Y0.5 -","- Bi8 O12 -","- Bi8 O12 -","1","0.0625","JZ1066","Ducke, J.; Trömel, M.; Hohlwein, D.; Kizler, P.","Yttrium and Titanium Bismuthates with Structures Related to β-Bi~2~O~3~","Acta Crystallographica Section C","1996","52","6","1329","1331","10.1107/S0108270195011267","","neutron","1.2167","neutron","","","0.041","","","","","","","","","","","","","","has coordinates","209442","2020-10-21","18:00:00",""
"2005005","7.7069","0.0006","7.7069","0.0006","5.6735","0.0004","90","","90","","90","","336.98","0.04","295","2","","","","","","","","","","3","P 42/n m c","","","","","","- Bi7.68 O12.16 Ti0.32 -","- Bi8 O12.16 -","- Bi8 O12.16 -","1","","JZ1066","Ducke, J.; Trömel, M.; Hohlwein, D.; Kizler, P.","Yttrium and Titanium Bismuthates with Structures Related to β-Bi~2~O~3~","Acta Crystallographica Section C","1996","52","6","1329","1331","10.1107/S0108270195011267","","neutron","1.2167","neutron","","","0.043","","","","","","","","","","","","","","has coordinates","208743","2020-10-21","18:00:00",""
"2005006","10.456","0.002","12.237","0.002","9.531","0.001","90","","111","0.01","90","","1138.5","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2R^*^,4S^*^,6S^*^)-4-chloro-4-methyl-8-oxo-1-azabicyclo[4.2.0]octane -2-carboxylic acid methyl ester","","- C10 H14 Cl N O3 -","- C10 H14 Cl N O3 -","- C40 H56 Cl4 N4 O12 -","4","1","JZ1068","De Ridder, D. J. A.; Goubitz, K.; Reiss, C. A.; Schenk, H.; Hiemstra, H.","One Bicyclic β-Lactam and Two Bicyclic γ-Lactam Compounds","Acta Crystallographica Section C","1996","52","6","1473","1479","10.1107/S0108270195014788","","","0.71069","MoKα","","0.049","0.049","","0.049","0.049","","","","0.87","0.87","0.87","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005007","9.732","0.002","13.903","0.003","9.116","0.002","90","","99.99","0.01","90","","1214.7","0.5","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(5R^*^,7S^*^,9S^*^)-7-chloro-7-methyl-3-oxo-octahydro-indolizidine-5- carboxylic acid methyl ester","","- C11 H16 Cl N O3 -","- C11 H16 Cl N O3 -","- C44 H64 Cl4 N4 O12 -","4","1","JZ1068","De Ridder, D. J. A.; Goubitz, K.; Reiss, C. A.; Schenk, H.; Hiemstra, H.","One Bicyclic β-Lactam and Two Bicyclic γ-Lactam Compounds","Acta Crystallographica Section C","1996","52","6","1473","1479","10.1107/S0108270195014788","","","0.71069","MoKα","","0.048","0.048","","0.047","0.047","","","","0.783","0.783","0.783","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005008","10.5793","0.0005","13.524","0.0008","10.4365","0.0006","90","","118.305","0.005","90","","1314.66","0.14","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(5R^*^,6S^*^,10R^*^)-3oxo-6-vinyl-oactahydro-pyrrolo[1,2-a]azepine-5- carboxylic acid methyl ester","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C52 H76 N4 O12 -","4","1","JZ1068","De Ridder, D. J. A.; Goubitz, K.; Reiss, C. A.; Schenk, H.; Hiemstra, H.","One Bicyclic β-Lactam and Two Bicyclic γ-Lactam Compounds","Acta Crystallographica Section C","1996","52","6","1473","1479","10.1107/S0108270195014788","","","1.5418","CuKα","","0.047","0.047","","0.042","0.042","","","","0.643","0.643","0.643","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005009","7.418","0.001","10.814","0.002","14.039","0.002","105.4","0.01","90.26","0.01","109.97","0.01","1014.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Mer-(2'-benzoylisopropylidene-1-naphthohydrazido)-methanol-cis-dioxo- molybdenum(VI)","","- C22 H20 Mo N2 O5 -","- C22 H20 Mo N2 O5 -","- C44 H40 Mo2 N4 O10 -","2","1","JZ1096","Prelesnik, B.; Ivanovic, I.; Leovac, V. M.; Andjelkovic, K.","<i>mer</i>-[2'-(2-Benzoyl-1-methylethylidene)-1-naphthohydrazido(2‒)](methanol)-<i>cis</i>-dioxo-molybdenum(VI)","Acta Crystallographica Section C","1996","52","6","1375","1377","10.1107/S010827019600039X","","","0.71069","MoKα","","","0.03","","","0.035","","","","","0.88","0.88","","","","","has coordinates","192027","2020-10-21","18:00:00",""
"2005010","11.533","0.003","20.585","0.006","12.217","0.002","90","","97.2","0.02","90","","2877.5","1.2","213","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H102 Li4 O2 P4 -","- C46 H102 Li4 O2 P4 -","- C92 H204 Li8 O4 P8 -","2","0.5","JZ1099","Rabe, G. W.; Riede, J.; Schier, A.","[Li~2~(μ~3~-^<i>t^</i>Bu~2~ P)(μ~2~-^<i>t^</i>Bu~2~P)(thf)]~2~: a Redetermination","Acta Crystallographica Section C","1996","52","6","1350","1352","10.1107/S0108270195017094","","","0.71073","MoKα","","","0.0552","","","0.1216","","","","","1.004","1.004","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005011","6.086","0.001","11.99","0.001","23.831","0.002","90","","90","","90","","1739","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3β-hydroxy-20methyl-pregn-5,14-dien-16-on(18‒20) lactone","","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","JZ1101","Luger, P.; Weber, M.; Dung, N. X.; Ky, P. T.; The, C. L.","The New Pentacyclic Saponine Ecdysantherin [3β-Hydroxy-20-methylpregn-5,14-dien-16-one-(18‒20)-lactone] from <i>Ecdysanthera rosea Hook</i>. <i>et Arn</i>. (<i>Apocynaceae</i>) of Vietnam","Acta Crystallographica Section C","1996","52","6","1574","1576","10.1107/S0108270195017045","","","1.5418","CuKα,Nifilter","","0.0909","0.0436","","0.1323","0.1081","","","","1.052","1.103","1.103","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005012","10.166","0.001","12.206","0.001","20.873","0.002","90","","102.2","0.01","90","","2531.6","0.4","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,3-Dicyclohexyl-2,4-bis(cyclohexylimino)1,3-diazetidine","","- C26 H44 N4 -","- C26 H44 N4 -","- C104 H176 N16 -","4","1","JZ1103","Goj, O.; Haufe, G.; Fröhlich, R.","1,3-Dicyclohexyl-2,4-bis(cyclohexylimino)-1,3-diazetidine: Dimer of Dicyclohexylcarbodiimide","Acta Crystallographica Section C","1996","52","6","1554","1556","10.1107/S0108270196000522","","","1.54178","CuKα","","0.0634","0.0505","","0.1557","0.1509","","","","1.057","1.154","1.154","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005013","6.73","0.003","12.887","0.003","8.274","0.002","90","","107.26","0.02","90","","685.3","0.4","296","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cu N2 O8 -","- C14 H8 Cu N2 O8 -","- C28 H16 Cu2 N4 O16 -","2","0.5","JZ1106","Suga, T.; Okabe, N.","Bis(pyridine-2,3-dicarboxylato-<i>N</i>,<i>O</i>)copper(II)","Acta Crystallographica Section C","1996","52","6","1410","1412","10.1107/S0108270196001126","","","0.71069","MoKα","","","0.041","","","0.051","","","","","1.56","1.56","","","","","has coordinates","198397","2020-10-21","18:00:00",""
"2005014","11.871","0.002","11.586","0.003","5.707","0.002","90","","98.75","0.02","90","","775.8","0.4","293","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Cl2 Cr2 N2 O6 -","- C10 H10 Cl2 Cr2 N2 O6 -","- C20 H20 Cl4 Cr4 N4 O12 -","2","0.5","KA1153","Lorenzo Luis, P. A.; Martin-Zarza, P.; Gili, P.; Ruiz-Pérez, C.; Hernández-Molina, M.; Solans, X.","Five New Chlorochromates of Organic Bases","Acta Crystallographica Section C","1996","52","6","1441","1448","10.1107/S0108270196000637","","","0.71073","MoKα","","","0.052","","","0.058","","","","","1.32","1.32","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005015","9.685","0.002","11.679","0.002","11.022","0.002","90","","112.28","0.03","90","","1153.6","0.4","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl Cr N O3 -","- C10 H10 Cl Cr N O3 -","- C40 H40 Cl4 Cr4 N4 O12 -","4","1","KA1153","Lorenzo Luis, P. A.; Martin-Zarza, P.; Gili, P.; Ruiz-Pérez, C.; Hernández-Molina, M.; Solans, X.","Five New Chlorochromates of Organic Bases","Acta Crystallographica Section C","1996","52","6","1441","1448","10.1107/S0108270196000637","","","0.71073","MoKα","","","0.0708","","","0.1986","","","","","1.082","1.082","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005016","6.748","0.005","7.957","0.005","11.611","0.002","104.89","0.01","100.34","0.03","92.11","0.03","590.5","0.6","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cl Cr N O3 -","- C10 H10 Cl Cr N O3 -","- C20 H20 Cl2 Cr2 N2 O6 -","2","1","KA1153","Lorenzo Luis, P. A.; Martin-Zarza, P.; Gili, P.; Ruiz-Pérez, C.; Hernández-Molina, M.; Solans, X.","Five New Chlorochromates of Organic Bases","Acta Crystallographica Section C","1996","52","6","1441","1448","10.1107/S0108270196000637","","","0.71073","MoKα","","","0.0601","","","0.1578","","","","","1.341","1.341","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005017","12.157","0.002","12.265","0.003","6.316","0.002","90","","114.5","0.03","90","","857","0.4","293","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2 H10 Cl2 Cr N2 O3 -","- C2 H10 Cl2 Cr N2 O3 -","- C8 H40 Cl8 Cr4 N8 O12 -","4","1","KA1153","Lorenzo Luis, P. A.; Martin-Zarza, P.; Gili, P.; Ruiz-Pérez, C.; Hernández-Molina, M.; Solans, X.","Five New Chlorochromates of Organic Bases","Acta Crystallographica Section C","1996","52","6","1441","1448","10.1107/S0108270196000637","","","0.71073","MoKα","","","0.07","","","0.086","","","","","1.138","1.138","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2005018","6.396","0.002","10.915","0.005","19.192","0.005","90","","92.83","0.03","90","","1338.2","0.8","293","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 Cl2 Cr N3 O3 -","- C10 H7 Cl2 Cr N3 O3 -","- C40 H28 Cl8 Cr4 N12 O12 -","4","1","KA1153","Lorenzo Luis, P. A.; Martin-Zarza, P.; Gili, P.; Ruiz-Pérez, C.; Hernández-Molina, M.; Solans, X.","Five New Chlorochromates of Organic Bases","Acta Crystallographica Section C","1996","52","6","1441","1448","10.1107/S0108270196000637","","","0.71073","MoKα","","","0.056","","","0.073","","","","","1.164","1.164","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005019","11.194","0.002","10.492","0.002","6.976","0.002","94.62","0.02","97.78","0.02","102.54","0.02","787.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","sodium [1,3-propanodiylbis(oximato)cupprate(II)] hexahydrate","","- C7 H18 Cu N2 Na2 O12 -","- C7 H18 Cu N2 Na2 O12 -","- C14 H36 Cu2 N4 Na4 O24 -","2","1","KA1157","Rodríguez-Romero, F. V.; Ruiz-Pérez, C.; Solans, X.","Disodium [<i>N</i>,<i>N</i>'-(1,3-Propanediyl)bis(oxamato-<i>N</i>,<i>O</i>)]cuprate(II) Hexahydrate","Acta Crystallographica Section C","1996","52","6","1415","1417","10.1107/S010827019600114X","","","0.71069","MoKα","","","0.0719","","0.1872","0.0774","","","","1.076","0.948","0.948","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2005020","10.749","0.006","13.068","0.005","22.643","0.009","90","","90","","90","","3181","2","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 N2 O6 -","- C38 H43 N2 O7 -","- C152 H172 N8 O28 -","4","1","KA1162","Sivý, J.; Kettmann, V.; Kostálová, D.; Vrábel, V.","Oxyacanthine","Acta Crystallographica Section C","1996","52","6","1479","1482","10.1107/S0108270195015927","","","0.71073","MoKα","","","0.053","","0.1077","0.055","","","","1.228","0.86","0.86","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005021","11.354","0.005","11.354","0.005","11.354","0.005","107.21","0.05","107.21","0.05","107.21","0.05","1211.9","1.3","293","2","293","2","","","","","","","","3","R -3 :R","-P 3*","148","3,7,10-tribenzyl-3,7,10-triaza[3.3.3]propellane","","","- C29 H33 N3 -","- C29 H33 N3 -","- C58 H66 N6 -","2","0.333333","KA1166","Herbstein, F. H.; Kapon, M.; Reisner, G. M.","Comparison of the Geometries of 3,7,10-Tribenzyl-3,7,10-triaza[3.3.3]propellane, (1), 7,10-Dibenzyl-3-<i>p</i>-tolyl-3,7,10-triaza[3.3.3]propellane, (2), and 7,10-Dibenzyl-3-oxa-7,10-diaza[3.3.3]propellane, (3)","Acta Crystallographica Section C","1996","52","6","1539","1543","10.1107/S0108270195016039","","","0.71069","MoKα","","0.085","0.0544","","0.1357","0.1153","","","","1.131","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005022","13.283","0.007","11.748","0.006","8.533","0.004","103.94","0.05","96.87","0.05","104.87","0.05","1225.5","1.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","3-p-tolyl-7,10-dibenzyl3,7,10-triaza[3.3.3]propellane","","","- C29 H33 N3 -","- C29 H33 N3 -","- C58 H66 N6 -","2","1","KA1166","Herbstein, F. H.; Kapon, M.; Reisner, G. M.","Comparison of the Geometries of 3,7,10-Tribenzyl-3,7,10-triaza[3.3.3]propellane, (1), 7,10-Dibenzyl-3-<i>p</i>-tolyl-3,7,10-triaza[3.3.3]propellane, (2), and 7,10-Dibenzyl-3-oxa-7,10-diaza[3.3.3]propellane, (3)","Acta Crystallographica Section C","1996","52","6","1539","1543","10.1107/S0108270195016039","","","0.71069","MoKα","","0.0982","0.061","","0.1365","0.1159","","","","1.081","1.184","1.184","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005023","35.656","0.02","9.652","0.005","11.018","0.006","90","","90","","90","","3792","4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","3-oxa-7,10-dibenzyl-7,10-triaza[3.3.3]propellane","","","- C22 H26 N2 O -","- C22 H26 N2 O -","- C176 H208 N16 O8 -","8","1","KA1166","Herbstein, F. H.; Kapon, M.; Reisner, G. M.","Comparison of the Geometries of 3,7,10-Tribenzyl-3,7,10-triaza[3.3.3]propellane, (1), 7,10-Dibenzyl-3-<i>p</i>-tolyl-3,7,10-triaza[3.3.3]propellane, (2), and 7,10-Dibenzyl-3-oxa-7,10-diaza[3.3.3]propellane, (3)","Acta Crystallographica Section C","1996","52","6","1539","1543","10.1107/S0108270195016039","","","0.71069","MoKα","","0.1679","0.0702","","0.1691","0.1271","","","","0.982","1.22","1.22","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005024","9.761","0.002","12.422","0.002","12.486","0.002","108.27","0.01","101.26","0.02","100.02","0.02","1364.2","0.5","298","","298","","","","","","","","","6","P -1","-P 1","2","","(N,N-Dimethyldithiocarbamoylacetato)trimethyltin","","- C8 H17 N O2 S2 Sn -","- C8 H17 N O2 S2 Sn -","- C32 H68 N4 O8 S8 Sn4 -","4","2","KH1073","Ng, S. W.; Kumar Das, V. G.","[(<i>N</i>,<i>N</i>-Dimethylthiocarbamoylthio)acetato]trimethyltin","Acta Crystallographica Section C","1996","52","6","1371","1373","10.1107/S0108270196001874","","","0.71073","MoKα","","0.0486","0.0385","","0.0991","0.0928","","","","1.095","1.134","1.134","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005025","9.17","0.001","16.135","0.0009","17.697","0.002","90","","96.98","0.006","90","","2599","0.4","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3-diethylphosphonopropionato)triphenyltin","","- C25 H29 O5 P Sn -","- C25 H29 O5 P Sn -","- C100 H116 O20 P4 Sn4 -","4","1","KH1075","Ng, S. W.; Kumar Das, V. G.","[3-(Diethylphosphono)propionato]triphenyltin","Acta Crystallographica Section C","1996","52","6","1373","1375","10.1107/S0108270196001886","","","0.71073","MoKα","","0.0545","0.0355","","0.0827","0.0767","","","","0.971","1.06","1.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005026","34.086","0.005","10.0389","0.0009","23.778","0.004","90","","110.114","0.006","90","","7640.3","1.9","300","2","300","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","2-triphenylstannyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide triphenylphosphine oxide","","- C43 H34 N O4 P S Sn -","- C43 H34 N O4 P S Sn -","- C344 H272 N8 O32 P8 S8 Sn8 -","8","1","KH1076","Ng, S. W.","2-Triphenylstannyl-1,2-benzisothiazol-3(2<i>H</i>)-one 1,1-Dioxide‒Triphenylphosphine Oxide (1/1)","Acta Crystallographica Section C","1996","52","6","1365","1367","10.1107/S0108270196001898","","","0.71073","MoKα","","0.0768","0.0485","","0.1178","0.1078","","","","1.018","1.143","1.143","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005027","9.1876","0.0006","9.593","0.001","11.0473","0.0007","78.839","0.008","65.036","0.005","86.203","0.009","865.88","0.13","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","butyldiichlorophenyltin.1,2-(diphenylphosphoryl)ehtane","","- C36 H38 Cl2 O2 P2 Sn -","- C36 H38 Cl2 O2 P2 Sn -","- C36 H38 Cl2 O2 P2 Sn -","1","0.5","KH1077","Ng, S. W.; Kumar Das, V. G.","Butyldichlorophenyltin‒1,2-Bis(diphenylphosphoryl)ethane (1/1)","Acta Crystallographica Section C","1996","52","6","1367","1369","10.1107/S0108270196001904","","","0.71073","MoKα","","0.0536","0.0407","","0.1091","0.1006","","","","1.063","1.114","1.114","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005028","9.482","0.002","17.146","0.003","16.931","0.004","90","","98.72","0.02","90","","2720.8","1","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-iso-propylammonium triphenylstannylthiolyacetate","","- C26 H33 N O2 S Sn -","- C26 H33 N O2 S Sn -","- C104 H132 N4 O8 S4 Sn4 -","4","1","KH1078","Ng, S. W.; Kumar Das, V. G.; Yap, G.; Rheingold, A. L.","Diisopropylammonium (Mercaptoacetato-<i>S</i>,<i>O</i>)triphenylstannate","Acta Crystallographica Section C","1996","52","6","1369","1371","10.1107/S0108270196001916","","","0.71073","MoKα","","0.055","0.0351","","0.0834","0.0745","","","","1.02","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005029","21.9","0.007","6.368","0.002","8.939","0.002","90","","93.51","0.02","90","","1244.3","0.6","293","2","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H40 O3 -","- C28 H40 O3 -","- C56 H80 O6 -","2","1","KH1087","Honda, T.; Fujii, I.; Hirayama, N.; Ishikawa, D.; Kawagishi, H.; Song, K.-S.; Yoo, I.-D.","(14α,22<i>E</i>)-14-Hydroxyergosta-4,7,22-triene-3,6-dione, C~28~H~40~O~3~","Acta Crystallographica Section C","1996","52","6","1550","1552","10.1107/S0108270196000030","","","1.54184","CuKα","","","0.039","","","0.047","","","","","2.3","2.3","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005030","10.538","0.001","8.895","0.001","16.031","0.001","90","","102.742","0.009","90","","1465.7","0.2","293","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H23 N O3 -","- C14 H23 N O3 -","- C56 H92 N4 O12 -","4","1","LI1142","Zukerman-Schpector, J.; Caracelli, I.; de Oliveira, S. Ma.; Faria de Medeiros, E.; Brocksom, T. J.","A Key Intermediate in the Synthesis of (+)-Hernandulcin","Acta Crystallographica Section C","1996","52","6","1579","1581","10.1107/S010827019600008X","","","0.71073","MoKα","","0.1881","0.0535","","0.1715","0.1048","","","","1.127","1.154","1.154","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005031","8.37","0.003","8.8948","0.0014","23.441","0.004","90","","90","","90","","1745.2","0.7","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Tris(η^5^-cyclopentadienyl)phenolatoneptunium(IV)","","- C21 H20 Np O -","- C21 H20 Np O -","- C84 H80 Np4 O4 -","4","1","MU1209","De Ridder, D. J. A.; Apostolidis, C.; Rebizant, J.; Kanellakopulos, B.; Maier, R.","Tris(η^5^-cyclopentadienyl)phenolatoneptunium(IV)","Acta Crystallographica Section C","1996","52","6","1436","1438","10.1107/S0108270195014582","","","0.71073","MoKα","","0.0334","0.033","","0.077","0.0765","","","","0.978","0.979","0.979","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005032","17.832","0.002","15.088","0.001","11.023","0.001","90","","103.26","0.01","90","","2886.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1:2 complex of 1,4,10-trioxa-7,13-diazacyclopentadecane and picric acid.","","- C22 H28 N8 O17 -","- C22 H28 N8 O17 -","- C88 H112 N32 O68 -","4","1","MU1223","Saleh, M. I.; Salhin, A.; Saad, B.; Sivakumar, K.; Fun, H.-K.","A 1:2 Host‒Guest Complex of Diaza-15-crown-5 with Picric Acid","Acta Crystallographica Section C","1996","52","6","1509","1512","10.1107/S010827019501691X","","","0.71073","MoKα","","0.0775","0.0466","","0.1343","0.1219","","","","0.981","1.149","1.149","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005033","10.52","0.001","10.89","0.001","12.854","0.001","74.62","0.01","72.55","0.01","64.7","0.01","1253.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Pentacarbonyl Tris-(2-methoxyphenyl)phosphine Chromium(0).","","- C26 H21 Cr O8 P -","- C26 H21 Cr O8 P -","- C52 H42 Cr2 O16 P2 -","2","1","MU1238","bin Shawkataly, O.; Saminathan, T.; Muniswaran, K.; Fun, H.-K.; Sivakumar, K.","Pentacarbonyl[tris(2-methoxyphenyl)phosphine-<i>P</i>]chromium and its Molybdenum Analogue","Acta Crystallographica Section C","1996","52","6","1352","1355","10.1107/S0108270196001527","","","0.71073","MoKα","","0.0374","0.0335","","0.1042","0.1016","","","","1.052","1.093","1.093","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005034","10.889","0.002","16.395","0.002","14.808","0.002","90","","92.57","0.01","90","","2640.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Pentacarbonyl tris(2-methoxyphenyl)phosphine Molybdenum(0).","","- C26 H21 Mo O8 P -","- C26 H21 Mo O8 P -","- C104 H84 Mo4 O32 P4 -","4","1","MU1238","bin Shawkataly, O.; Saminathan, T.; Muniswaran, K.; Fun, H.-K.; Sivakumar, K.","Pentacarbonyl[tris(2-methoxyphenyl)phosphine-<i>P</i>]chromium and its Molybdenum Analogue","Acta Crystallographica Section C","1996","52","6","1352","1355","10.1107/S0108270196001527","","","0.71073","MoKα","","0.0605","0.035","","0.0849","0.0781","","","","0.899","1.02","1.02","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005035","8.682","0.001","13.983","0.001","9.956","0.001","90","","96.66","0.01","90","","1200.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[1-hydroxy-2(1H)-pyridinethionato-O,S']palladium(II).","","- C10 H8 N2 O2 Pd S2 -","- C10 H8 N2 O2 Pd S2 -","- C40 H32 N8 O8 Pd4 S8 -","4","1","MU1242","Song, B.-L.; Xiong, R.-G.; Wang, H.; Zuo, J.-L.; You, X.-Z.; Fun, H.-K.; Sivakumar, K.","Bis[1-hydroxy-2(1<i>H</i>)-pyridinethionato-<i>O</i>,<i>S</i>]palladium(II)","Acta Crystallographica Section C","1996","52","6","1403","1405","10.1107/S0108270196001539","","","0.71073","MoKα","","0.0288","0.0257","","0.0702","0.0687","","","","1.024","1.065","1.065","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005036","7.941","0.003","12.81","0.004","13.509","0.004","90","","90.93","","90","","1374","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Br2 Cu N3 -","- C12 H11 Br2 Cu N3 -","- C48 H44 Br8 Cu4 N12 -","4","1","NA1146","Garland, M. T.; Manzur, J.; Moreno, Y.; Spodine, E.; Baggio, R.; González, O.","Dibromo[<i>N</i>-(2-pyridylmethylidene)-2-pyridylmethylamine-<i>N</i>,<i>N</i>',<i>N</i>'']copper(II) Complex","Acta Crystallographica Section C","1996","52","6","1405","1407","10.1107/S0108270195017021","","","0.71073","MoKα","","0.0432","0.0301","","0.077","0.0731","","","","1.013","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005037","7.826","0.002","14.606","0.004","8.83","0.003","90","","96.58","0.02","90","","1002.7","0.5","298","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 Au Cl3 N O -","- C6 H7 Au Cl3 N O -","- C24 H28 Au4 Cl12 N4 O4 -","4","1","NA1179","Bruni, B.; Ferraroni, M.; Orioli, P.; Speroni, G.","A Biologically Active Gold Complex: Trichloro[(2-pyridyl)methanol-<i>N</i>]gold(III)","Acta Crystallographica Section C","1996","52","6","1423","1424","10.1107/S0108270195008067","","","0.71073","MoKα","","","0.0515","","","0.141","","","","","1.265","1.265","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005038","19.649","0.003","19.649","0.003","10.704","0.002","90","","90","","90","","4132.6","1.2","111","2","","","","","","","","","","5","I 41/a :2","-I 4ad","88","","Tetrakis[(μu3-5-methylthiophene-C2)-(diethylether-O)-lithium","","- C36 H60 Li4 O4 S4 -","- C36 H60 Li4 O4 S4 -","- C144 H240 Li16 O16 S16 -","4","0.25","NA1208","Powell, D. R.; Whipple, W. L.; Reich, H. J.","Tetrakis(μ~3~-2-methyl-5-thienyl)tetrakis(diethyl ether-<i>O</i>)-<i>tetrahedro</i>-tetralithium","Acta Crystallographica Section C","1996","52","6","1346","1348","10.1107/S0108270196000546","","","1.54184","CuKα","","","0.0727","","0.1918","0.1701","","","","1.097","1.243","1.243","","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2005039","11.059","0.002","32.367","0.006","18.933","0.003","90","","97.41","0.03","90","","6720","2","294","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H14 Fe4 O12 Se3 -","- C26 H14 Fe4 O12 Se3 -","- C208 H112 Fe32 O96 Se24 -","8","2","NA1209","Song, L.-C.; Hu, Q.-M.; Yan, C.-G.; Wang, R.-J.; Mak, T. C. W.","The First μ~4~-Se Spiro-Type Fe~4~Se~3~ Cluster: [(μ-4-CH~3~-C~6~H~4~Se)Fe~2~(CO)~6~]~2~(μ~4~-Se)","Acta Crystallographica Section C","1996","52","6","1357","1359","10.1107/S0108270196000613","","","0.71073","MoKα","","","0.06","","","0.053","","","","","1.19","1.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005040","14.664","0.013","7.697","0.008","5.08","0.005","90","","96.71","0.01","90","","569.4","1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C10 H9 Cl2 Cu N3 -","- C10 H9 Cl2 Cu N3 -","- C20 H18 Cl4 Cu2 N6 -","2","0.5","NA1211","Spodine, E.; Atria, A. M.; Baggio, R.; Garland, M. T.","Dichloro(di-2-pyridylamine-<i>N</i>,<i>N</i>')copper(II)","Acta Crystallographica Section C","1996","52","6","1407","1410","10.1107/S0108270196000601","","","0.71073","MoKα","","0.0387","0.0377","","0.0886","0.0877","","","","1.148","1.151","1.151","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005041","9.099","0.004","9.52","0.003","16.753","0.006","102.46","0.03","92.34","0.03","102.22","0.03","1379.2","0.9","298","","298","","","","","","","","","6","P -1","-P 1","2","","disodium [4-carboxy-4,8,11-tris(carboxymethyl)-1-phenyl-2-oxa-5,8,11- triazatridecan-13-oato(5^-^)]europate(2^-^)","","- C22 H31 Eu N3 Na2 O13.5 -","- C22 H31 Eu N3 Na2 O13.5 -","- C44 H62 Eu2 N6 Na4 O27 -","2","1","NA1216","Dapporto, P.; Fedeli, F.; Paoli, P.; Uggeri, F.","Disodium Aqua[2,5,8-tris(carboxymethyl)-12-phenyl-2,5,8-triaza-11-oxa-1,9-dodecanedicarboxylato(5–)]europate Sesquihydrate","Acta Crystallographica Section C","1996","52","6","1438","1441","10.1107/S0108270196000972","","","0.71069","MoKα","","","0.066","","","0.148","","","","","1.14","1.14","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2005042","5.858","0.003","8.171","0.003","24.367","0.007","90","","90","","90","","1166.3","0.8","293","1","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1-O-benzyl-β-L-arabinopyranose","1-O-benzyl-β-L-arabinopyranose","","- C12 H16 O5 -","- C12 H16 O5 -","- C48 H64 O20 -","4","1","NS1003","Popek, T.; Mazurek, J.; Lis, T.","1-<i>O</i>-Benzyl-β-<small>L</small>-arabinopyranose, 1-<i>O</i>-Benzyl-3,4-<i>O</i>-isopropylidene-β-<small>L</small>-arabinopyranose and 1-<i>O</i>-Benzyl-2-<i>O</i>-benzoyl-3,4-<i>O</i>-isopropylidene-β-<small>L</small>-arabinopyranose","Acta Crystallographica Section C","1996","52","6","1558","1563","10.1107/S0108270195016143","","","1.5418","CuKα","","0.0426","0.0327","","0.095","0.0913","","","","1.041","1.102","1.102","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005043","12.565","0.008","5.692","0.003","10.584","0.005","90","","102.66","0.05","90","","738.6","0.7","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","1-O-benzyl-3,4-O-isopropylidene-β-L-arabinopyranose","1-O-benzyl-3,4-O-isopropylidene-β-L-arabinopyranose","","- C15 H20 O5 -","- C15 H20 O5 -","- C30 H40 O10 -","2","1","NS1003","Popek, T.; Mazurek, J.; Lis, T.","1-<i>O</i>-Benzyl-β-<small>L</small>-arabinopyranose, 1-<i>O</i>-Benzyl-3,4-<i>O</i>-isopropylidene-β-<small>L</small>-arabinopyranose and 1-<i>O</i>-Benzyl-2-<i>O</i>-benzoyl-3,4-<i>O</i>-isopropylidene-β-<small>L</small>-arabinopyranose","Acta Crystallographica Section C","1996","52","6","1558","1563","10.1107/S0108270195016143","","","1.5418","CuKα","","0.0885","0.0373","","0.0971","0.0796","","","","1.03","1.131","1.131","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005044","8.106","0.004","11.353","0.006","11.546","0.006","90","","106.83","0.04","90","","1017","0.9","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","1-O-benzyl-2-O-benzoyl-3,4-O-isopropylidene-β-L-arabinopyranose","1-O-benzyl-2-O-benzoyl-3,4-O-isopropylidene-β-L-arabinopyranose","","- C22 H24 O6 -","- C22 H24 O6 -","- C44 H48 O12 -","2","1","NS1003","Popek, T.; Mazurek, J.; Lis, T.","1-<i>O</i>-Benzyl-β-<small>L</small>-arabinopyranose, 1-<i>O</i>-Benzyl-3,4-<i>O</i>-isopropylidene-β-<small>L</small>-arabinopyranose and 1-<i>O</i>-Benzyl-2-<i>O</i>-benzoyl-3,4-<i>O</i>-isopropylidene-β-<small>L</small>-arabinopyranose","Acta Crystallographica Section C","1996","52","6","1558","1563","10.1107/S0108270195016143","","","1.5418","CuKα","","0.0408","0.0352","","0.1086","0.1059","","","","1.085","1.132","1.132","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005045","8.738","0.002","9.998","0.002","15.307","0.003","90","","91.02","0.03","90","","1337","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S~1~,S~2~,R~4~,S~S~)-Benzyl 3,3-diethoxycarbonyl-2-(p-tolylsulfinyl)- bicyclo[2.2.1]hept-5-ene-2-carboxylate","","- C28 H30 O7 S -","- C28 H30 O7 S -","- C56 H60 O14 S2 -","2","1","NS1006","Alonso, I.; López-Solera, I.; Raithby, P. R.","The Diels‒Alder Adduct of an Enantiopure Sulfinyl Trialkoxycarbonyl Ethene and Cyclopentadiene","Acta Crystallographica Section C","1996","52","6","1548","1550","10.1107/S0108270196000315","","","1.54178","CuKα","","0.0604","0.0505","","0.1391","0.129","","","","1.04","1.065","1.065","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005046","12.502","0.005","7.533","0.002","13.04","0.004","90","","112.97","0.03","90","","1130.7","0.7","295","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Cl3 Co N5 -","- C4 H12 Cl3 Co N5 -","- C16 H48 Cl12 Co4 N20 -","4","1","PA1186","Lemoine, P.; Chiadmi, M.; Bissery, V.; Tomas, A.; Viossat, B.","Les Composés de la Metformine avec les Ions Co^II^, Cu^II^ et Ni^II^","Acta Crystallographica Section C","1996","52","6","1430","1436","10.1107/S0108270195008377","","","0.7107","MoKα","","","0.031","","","0.031","","","","","1.28","1.28","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005047","7.727","0.001","16.675","0.005","8.023","0.002","90","","115.25","0.02","90","","935","0.4","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H11 Cl2 Cu N5 -","- C4 H11 Cl2 Cu N5 -","- C16 H44 Cl8 Cu4 N20 -","4","1","PA1186","Lemoine, P.; Chiadmi, M.; Bissery, V.; Tomas, A.; Viossat, B.","Les Composés de la Metformine avec les Ions Co^II^, Cu^II^ et Ni^II^","Acta Crystallographica Section C","1996","52","6","1430","1436","10.1107/S0108270195008377","","","0.71069","MoKα","","","0.045","","","0.049","","","","","1.55","1.55","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005048","15.059","0.009","5.153","0.005","11.57","0.009","90","","90","","95.83","0.06","893.2","1.2","293","1","","","","","","","","","","6","P 1 1 21/n","-P 2n","14","","","","- C8 H26 Cl2 Cu N10 O2 -","- C8 H26 Cl2 Cu N10 O2 -","- C16 H52 Cl4 Cu2 N20 O4 -","2","0.5","PA1186","Lemoine, P.; Chiadmi, M.; Bissery, V.; Tomas, A.; Viossat, B.","Les Composés de la Metformine avec les Ions Co^II^, Cu^II^ et Ni^II^","Acta Crystallographica Section C","1996","52","6","1430","1436","10.1107/S0108270195008377","","","1.5418","CuKα","","","0.047","","","0.047","","","","","1.55","1.55","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005049","13.449","0.004","7.44","0.005","15.811","0.004","90","","104.8","0.1","90","","1529.6","1.4","293","1","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H23 Cl N10 Ni O -","- C8 H23 Cl N10 Ni O -","- C32 H92 Cl4 N40 Ni4 O4 -","4","0.5","PA1186","Lemoine, P.; Chiadmi, M.; Bissery, V.; Tomas, A.; Viossat, B.","Les Composés de la Metformine avec les Ions Co^II^, Cu^II^ et Ni^II^","Acta Crystallographica Section C","1996","52","6","1430","1436","10.1107/S0108270195008377","","","1.5418","CuKα","","","0.038","","","0.038","","","","","1.91","1.91","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005050","23.123","0.004","11.484","0.002","9.22","0.001","90","","95.05","0.03","90","","2438.8","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Chromene","8,8-dimethyl-[8H]-pyrano[3,2-f]quinolene","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C112 H120 N8 O16 -","8","1","PA1202","Aldoshin, S.; Chuev, I.; Philipenko, O.; Pozzo, J. L.; Lokshin, V.; Pèpe, G.; Samat, A.","Photochromic Pyrido-Annelated 2,2-Dimethylchromene","Acta Crystallographica Section C","1996","52","6","1537","1539","10.1107/S0108270195016192","","","0.71069","MoKα","","0.0405","0.0405","","0.047","0.047","","","","0.957","1.188","1.188","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005051","15.312","0.003","5.024","0.001","12.514","0.003","90","","112.23","0.03","90","","891.1","0.4","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-phenyl-4-imidazolidinone (Z)-oxime","","- C9 H11 N3 O -","- C9 H11 N3 O -","- C36 H44 N12 O4 -","4","1","PA1215","Suwinski, J.; Wagner, P.; Holt, E. M.","1-Phenyl-4-imidazolidinone (<i>Z</i>)-Oxime","Acta Crystallographica Section C","1996","52","6","1462","1464","10.1107/S0108270195016210","","","0.71073","MoKα","","","0.047","","","0.0475","","","","","1.06","1.06","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005052","7.556","0.002","11.587","0.002","20.255","0.004","90","","90","","90","","1773.4","0.7","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Boldine hydrochloride","[6a-(S)-1,10-dimethoxy-2-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,","","- C19 H22 Cl N O4 -","- C19 H22 Cl N O4 -","- C76 H88 Cl4 N4 O16 -","4","1","PT1029","Asencio, M.; Cassels, B. K.; Manríquez, V.; Boys, D.","(<i>S</i>)-1,10-Dimethoxy-2,9-dihydroxyaporphinium Chloride (Boldine Hydrochloride), C~19~H~22~NO~4~^+^.Cl^{-^}","Acta Crystallographica Section C","1996","52","6","1581","1583","10.1107/S0108270195016805","","","0.71073","MoKα","","0.0711","0.0409","","0.0512","0.0466","","","","","1.19","1.19","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005053","6.4262","0.001","9.1322","0.001","9.3627","0.001","90","","108.85","0.01","90","","519.98","0.12","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H16 N2 O6 -","- C8 H16 N2 O6 -","- C16 H32 N4 O12 -","2","1","PT1032","Aakeröy, C. B.; Bahra, G. S.; Nieuwenhuyzen, M.","Piperazinium <small>L</small>-Tartrate","Acta Crystallographica Section C","1996","52","6","1471","1473","10.1107/S0108270195016374","","","0.71073","MoKα","","","0.0248","","","0.0658","","","","","1.085","1.085","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005054","6.997","0.001","11.887","0.002","23.201","0.004","90","","90","","90","","1929.7","0.5","296","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 O4 -","- C20 H34 O4 -","- C80 H136 O16 -","4","1","PT1035","Jiménez, M.; González de la Parra, M.; Melendez, E.; Campos, M. P.; Soriano-García, M.","Trinervinol","Acta Crystallographica Section C","1996","52","6","1458","1460","10.1107/S0108270195015599","","","1.54184","CuKα","","","0.037","","","0.056","","","","","1.256","1.256","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005055","8.664","0.002","12.314","0.004","19.763","0.004","90","","90","","90","","2108.5","0.9","296","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 O4 -","- C23 H36 O4 -","- C92 H144 O16 -","4","1","PT1039","Soriano-García, M.; Jiménez, M.; González de la Parra, M.; Navarro, A.; Campos, M. P.","Acetonide-3-trinervinone","Acta Crystallographica Section C","1996","52","6","1460","1462","10.1107/S0108270195015617","","","0.71073","MoKα","","","0.052","","","0.073","","","","","1.208","1.208","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005056","11.653","0.002","12.045","0.001","12.594","0.002","90","","105.156","0.008","90","","1706.2","0.4","296","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H23 Co N2 O7 S2 -","- C11 H23 Co N2 O7 S2 -","- C44 H92 Co4 N8 O28 S8 -","4","2","PT1040","Yonemura, T.; Yasui, T.; Okamoto, K.-I.; Hidaka, J.","<i>trans</i>(S)-(<i>S</i>-Methyl-<small>D</small>-penicillaminato)(<small>D</small>-penicillaminesulfinato)cobalt(III) Monohydrate","Acta Crystallographica Section C","1996","52","6","1390","1392","10.1107/S0108270195015605","","","0.71073","MoKα","","","0.071","","","0.084","","","","","2.39","2.39","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2005057","8.336","0.002","15.044","0.004","17.454","0.006","90","","99.46","0.02","90","","2159.1","1.1","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-2-hydroxyethyl-N,N-bis[1-methyl-2-benzimidazolylmethyl]aminechlorocopper(II) chloride hydrate","","- C20 H25 Cl2 Cu N5 O2 -","- C20 H24 Cl2 Cu N5 O2 -","- C80 H96 Cl8 Cu4 N20 O8 -","4","1","SK1011","Elliot, D.; Price, C. L.; Martin, L. L.; Taylor, M. R.","{2-[Bis(1-methyl-2-benzimidazolylmethyl)amino]-ethanol}chlorocopper(II) Chloride Hydrate","Acta Crystallographica Section C","1996","52","6","1421","1423","10.1107/S0108270196001205","","","0.71073","MoKα","","0.063","0.056","","0.106","0.104","","","","1.765","1.798","1.798","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2005058","13.695","0.004","25.34","0.01","9.128","0.003","90","","90","","90","","3167.7","1.9","291","","291","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H39 N2 O9 P Si -","- C26 H39 N2 O9 P Si -","- C104 H156 N8 O36 P4 Si4 -","4","1","SX1005","McEldoon, W. L.; Swenson, D. C.; Wiemer, D. F.","(2'<i>S</i>,3'<i>S</i>,4'<i>R</i>)-5'-<i>O</i>-Benzoyl-3'-deoxy-3'β-diethylphosphono-2'-<i>O</i>-<i>tert</i>-butyldimethylsilyluridine","Acta Crystallographica Section C","1996","52","6","1552","1554","10.1107/S0108270195014831","","","0.71073","Mo_Kα","","0.15","0.051","","","0.053","","","","","1.054","1.054","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2005059","14.51","0.001","17.248","0.001","11.908","0.002","90","","90","","90","","2980.2","0.6","296","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 O11 -","- C31 H38 O11 -","- C124 H152 O44 -","4","1","SZ1030","Soriano-Garcia, M.; Jimenez, M. A.; Mata, R.; Segura de Correa, R.","Humilinolide D","Acta Crystallographica Section C","1996","52","6","1527","1529","10.1107/S0108270195010109","","","1.54184","CuKα","","","0.0562","","","0.0651","","","","","1.32","1.32","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005060","17.116","0.004","9.96","0.003","21.416","0.005","90","","108.59","0.02","90","","3460.4","1.6","298","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H39 B3 O Os P2 -","- C37 H39 B3 O Os P2 -","- C148 H156 B12 O4 Os4 P8 -","4","1","SZ1031","Bould, J.; Rath, N. P.; Barton, L.","[(CO)H(PPh~3~)~2~-<i>arachno</i>-OsB~3~H~8~]","Acta Crystallographica Section C","1996","52","6","1388","1390","10.1107/S0108270195017239","","","0.71073","MoKα","","","0.0471","","","0.1129","","","","","0.935","0.935","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005061","5.536","0.002","7.901","0.002","16.54","0.003","83.98","0.01","82.55","0.02","76.76","0.02","696.2","0.3","297","","","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H24 O3 -","- C14 H24 O3 -","- C28 H48 O6 -","2","1","SZ1045","Thompson, H. W.; Coté, M. L.; Lalancette, R. A.","(±)-2-Oxocyclododecaneacetic Acid: Structure and Hydrogen-Bonding Pattern of a Large-Ring γ-Keto Acid","Acta Crystallographica Section C","1996","52","6","1520","1523","10.1107/S0108270195010249","","","0.71073","MoKα","","","0.0504","","","0.0582","","","","","1.19","1.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005062","9.293","0.002","12.992","0.003","12.71","0.002","90","","97.67","0.02","90","","1520.8","0.5","213","1","213","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Br5 O2 -","- C12 H11 Br5 O2 -","- C48 H44 Br20 O8 -","4","1","TA1040","Banwell, M. G.; Hockless, D. C. R.; Peters, S. C.","(2α,5α)-1,5,6,9,9-Pentabromo-7-methoxy-2,3,3a,4,5,6-hexahydro-3a,6-methanoazulen-2-ol","Acta Crystallographica Section C","1996","52","6","1589","1591","10.1107/S0108270195017112","","","1.5418","CuKα","","0.0422","0.04","","0.0486","0.0485","","","","","2.92","2.92","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005063","11.379","0.003","12.708","0.002","16.241","0.003","90","","100.11","0.02","90","","2312.1","0.8","141","2","141","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","μ-Chloro-bis-{([9R^*^,12R^*^]-6,8,8,13,13,15-hexamethyl-1,5,9,12- tetraazacyclopentadeca-5,15(1)-diene-N^1^,N^5^,N^9^,N^12^)- perchlorato)copper(II)} perchlorate","","- C17 H34 Cl2 Cu N4 O6 -","- C17 H31 Cl2 Cu N4 O6 -","- C68 H124 Cl8 Cu4 N16 O24 -","4","1","TA1060","Gladkikh, O. P.; Curtis, N. F.","A Chloro-Bridged Dinuclear Copper(II) Cationic Complex of a 15-Membered Tetraaza Macrocyclic Ligand","Acta Crystallographica Section C","1996","52","6","1418","1421","10.1107/S0108270196002004","","","0.71073","MoKα","","0.0953","0.056","","0.1567","0.1387","","","","1.009","1.145","1.145","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005064","22.201","0.005","13.667","0.003","22.087","0.004","90","","90.43","0.02","90","","6701","2","296","","296","","","","","","","","","7","C 1 2 1","C 2y","5","","bis[tris(2,2'-bipyridine)ruthenium(II)] hexacyanocobaltate(III) chloride octahydrate","","- C66 H64 Cl Co N18 O8 Ru2 -","- C66 H64 Cl Co N18 O8 Ru2 -","- C264 H256 Cl4 Co4 N72 O32 Ru8 -","4","1","TA1068","Tamura, H.; Ikeda, N.; Iguro, T.; Ohno, T.; Matsubayashi, G.-E.","The Pseudo-Racemic Complex Bis[tris(2,2'-bipyridine)ruthenium(II)] Hexacyanocobaltate(III) Chloride Octahydrate, [Ru(bpy)~3~]~2~[Co(CN)~6~]Cl.8H~2~O","Acta Crystallographica Section C","1996","52","6","1394","1399","10.1107/S0108270196000042","","","0.7107","MoKα","","","0.035","","","0.06","","","","","1.56","1.56","","","","","has coordinates","189124","2020-10-21","18:00:00",""
"2005065","7.2309","0.0009","29.517","0.004","20.717","0.003","90","","101.98","0.01","90","","4325.4","1","130","2","130","2","","","","","","","","5","P 1 n 1","P -2yac","7","","(4) bis-(p-nitrobenzoate) ester of cis-1,1-dimethylsilacyclohex-3,4-diylbis- p-Nitrobenzoate","","- C21 H22 N2 O8 Si -","- C21 H22 N2 O8 Si -","- C168 H176 N16 O64 Si8 -","8","4","TA1071","White, J. M.; Tham, W.-Y.; Green, A. J.","Bis(<i>p</i>-nitrobenzoate) Ester of <i>cis</i>-1,1-Dimethylsilacyclohexane-3,4-diol","Acta Crystallographica Section C","1996","52","6","1493","1496","10.1107/S0108270195016441","","","1.5418","CuKαradiation(Nifiltered)","","0.0395","0.0358","","0.0956","0.0913","","","","1.007","0.992","0.992","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2005066","13.165","0.003","9.53","0.005","28.924","0.002","90","","98.27","0.01","90","","3591","2","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 N2 O3 Sn -","- C17 H20 N2 O3 Sn -","- C136 H160 N16 O24 Sn8 -","8","1","TA1087","Basu Baul, T. S.; Tiekink, E. R. T.","Polymeric [<i>p</i>-(2-Hydroxy-5-methylphenylazo)benzoato]trimethyltin","Acta Crystallographica Section C","1996","52","6","1428","1430","10.1107/S0108270196001990","","","0.7107","MoKα","","0.0639","0.0639","","0.0848","0.0848","","","","1.572","1.572","1.572","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005067","12.299","0.002","8.046","0.002","11.563","0.002","90","","90.83","0.03","90","","1144.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(p-pethoxy-phenyl)-2-methyl-4-nitro-imidazole","","- C11 H11 N3 O3 -","- C11 H11 N3 O3 -","- C44 H44 N12 O12 -","4","1","AB1279","Kowalski, A.","1-(<i>p</i>-Methoxyphenyl)-2-methyl-4-nitroimidazole and 1-(<i>p</i>-Acetylphenyl)-2-methyl-4-nitroimidazole","Acta Crystallographica Section C","1996","52","7","1784","1787","10.1107/S0108270196001722","","","1.54178","CuKα","","0.0705","0.0409","","0.1628","0.127","","","","1.12","1.251","1.251","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005068","7.493","0.001","8.217","0.002","10.332","0.002","90.46","0.02","105.24","0.02","110.59","0.02","571","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(p-acetyl-phenyl)-2-methyl-4-nitro-imidazole","","- C12 H11 N3 O3 -","- C12 H11 N3 O3 -","- C24 H22 N6 O6 -","2","1","AB1279","Kowalski, A.","1-(<i>p</i>-Methoxyphenyl)-2-methyl-4-nitroimidazole and 1-(<i>p</i>-Acetylphenyl)-2-methyl-4-nitroimidazole","Acta Crystallographica Section C","1996","52","7","1784","1787","10.1107/S0108270196001722","","","1.54178","CuKα","","0.1025","0.0424","","0.2912","0.1147","","","","0.855","0.738","0.738","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005069","11.018","0.007","14.184","0.007","24.78","0.01","90","","94.5","0.05","90","","3861","3","293","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H19 Fe K N2 O10.5 -","- C15 H19 Fe K N2 O10.5 -","- C120 H152 Fe8 K8 N16 O84 -","8","1","AB1280","Hernández-Padilla, M.; Sanchiz, J.; Domínguez, S.; Mederos, A.; Arrieta, J. M.; Zuñiga, F. J.","Potassium Aqua(3,4-toluenediamine-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetraacetato)ferrate(III)‒Water (1/1.5)","Acta Crystallographica Section C","1996","52","7","1618","1621","10.1107/S0108270196002697","","","0.71069","MoKα","","","","","","0.1432","","","","","1.115","1.115","","","","","has coordinates","190595","2020-10-21","18:00:00",""
"2005070","15.89","0.005","13.093","0.004","7.828","0.003","75.48","0.01","78.25","0.01","73.46","0.01","1495.9","0.9","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 Br N2 O -","- C17 H15 Br N2 O -","- C68 H60 Br4 N8 O4 -","4","2","AB1282","Barakat, S. E.-S.; Lindner, H. J.","2-Bromomethyl-3-(2-ethylphenyl)-4(3<i>H</i>)-quinazolinone","Acta Crystallographica Section C","1996","52","7","1703","1705","10.1107/S0108270196001291","","","0.71069","MoKα","","0.0497","0.0348","","0.1185","0.1061","","","","0.957","0.974","0.974","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005071","7.813","0.002","8.058","0.002","10.212","0.002","92.44","0.03","105.51","0.03","106.03","0.03","590.7","0.3","273","2","273","2","","","","","","","","4","P 1","P 1","1","","(5R)-5-[(1''S)-Hydroxybenzyl]-5-(l-menthyloxy)-4-(pyrrolidin-yl)furan-2(5H)- one","","- C25 H35 N O4 -","- C25 H35 N O4 -","- C25 H35 N O4 -","1","1","AB1288","Alonso, I.; López-Solera, I.; Raithby, P. R.","(5<i>R</i>)-5-[(<i>S</i>)-α-Hydroxybenzyl]-5-(<small>L</small>-menthyloxy)-4-(1-pyrrolidinyl)furan-2(5<i>H</i>)-one","Acta Crystallographica Section C","1996","52","7","1743","1745","10.1107/S0108270196001023","","","0.71073","MoKα","","0.1563","0.0742","","0.1683","0.1324","","","","1.02","1.118","1.118","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005072","21.771","0.004","10.608","0.002","16.885","0.003","90","","90","","90","","3899.5","1.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","trans-chloromethylbis(tri-p-tolylarsine)platinum(II)","","- C43 H45 As2 Cl Pt -","- C43 H45 As2 Cl Pt -","- C172 H180 As8 Cl4 Pt4 -","4","1","AB1292","Otto, S.; Roodt, A.","<i>trans</i>-Chloromethylbis(tri-<i>p</i>-tolylarsine)platinum(II)","Acta Crystallographica Section C","1996","52","7","1636","1638","10.1107/S0108270196000510","","","0.71073","MoKα","","0.0226","0.0226","","0.0545","0.0545","","","","1.077","1.077","1.077","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005073","8.71","0.003","12.988","0.002","14.069","0.003","90","","102.44","0.04","90","","1554.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-bis(1'-closo-2'-phenyl-1',2'-dicarbadodecaboryl)-2,3,5,6- tetrafluorobenzene","","- C22 H30 B20 F4 -","- C22 H30 B20 F4 -","- C44 H60 B40 F8 -","2","0.5","AB1305","Thomas, R. Ll.; Welch, A. J.","Haloaryl Carboranes. I. 1,4-Bis[2-phenyl-1,2-dicarba-<i>closo</i>-dodecaboran(12)-1-yl]-2,3,5,6-tetrafluorobenzene","Acta Crystallographica Section C","1996","52","7","1689","1691","10.1107/S0108270196000029","","","0.71069","MoKα","","0.0645","0.0463","","0.1361","0.1312","","","","1.11","1.221","1.221","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005074","4.747","0.007","14.399","0.002","15.191","0.002","90","0.011","90","0.011","90","0.011","1038.3","1.5","293","2","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-alanyl-glycyl-L-alanine","","- C8 H15 N3 O4 -","- C8 H15 N3 O4 -","- C32 H60 N12 O16 -","4","1","AB1324","Padiyar, G. S.; Seshadri, T. P.","The Linear Tripeptide <small>L</small>-Alanylglycyl-<small>L</small>-alanine","Acta Crystallographica Section C","1996","52","7","1693","1695","10.1107/S0108270196001138","","","1.5418","CuKα","","0.0305","0.0279","","0.08","0.078","","","","1.045","1.057","1.057","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005075","6.891","0.002","11.412","0.006","11.78","0.004","101.25","0.04","96.96","0.01","102.06","0.04","875.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Gallium Hexamolybdocobaltate (III)-water (1:16)","","- Co Ga H38 Mo6 O40 -","- Co Ga H38 Mo6 O40 -","- Co Ga H38 Mo6 O40 -","1","0.5","AB1334","Panneerselvam, K.; Soriano-García, M.; Holguin-Quiñones, S.; Holt, E. M.","Hexaaquagallium Hexahydrogenhexamolybdocobaltate(III) Decahydrate","Acta Crystallographica Section C","1996","52","7","1605","1607","10.1107/S0108270195017161","","","0.71073","MoKα","","0.0395","0.0371","","0.0995","0.0981","","","","1.086","1.128","1.128","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005076","8.569","0.003","17.316","0.006","9.968","0.004","90","","109.02","0.02","90","","1398.3","0.9","240","2","240","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3-benzo-1,4-diaza-7,10,13-trioxapentadec-2-ene","","- C14 H22 N2 O3 -","- C14 H22 N2 O3 -","- C56 H88 N8 O12 -","4","1","AB1361","Clegg, W.; Cooper, P. J.; Lockhart, J. C.","A Diaza Analogue of Benzo-15-crown-5","Acta Crystallographica Section C","1996","52","7","1795","1797","10.1107/S0108270196003113","","","1.54184","CuKα","","0.051","0.0508","","0.1492","0.149","","","","1.128","1.135","1.135","","","","","has coordinates","209447","2020-10-21","18:00:00",""
"2005077","5.396","0.002","7.935","0.003","18.311","0.004","90","0.06","93.71","0.03","90","","782.4","0.4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Bandrowski's base","N,N'-(2,5-diamino-2,5-cyclohexadiene-1,4-diylidene)bis-1,4-benzenediamine","","- C18 H18 N6 -","- C18 H18 N6 -","- C36 H36 N12 -","2","0.5","AB1362","Blake, A. J.; Hubberstey, P.; Quinlan, D. J.","Bandrowski's Base","Acta Crystallographica Section C","1996","52","7","1774","1776","10.1107/S0108270196003125","","","0.71073","MoKα","","0.2227","0.0771","","0.2134","0.1403","","","","0.924","1.278","1.278","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2005078","8.679","0.002","7.964","0.001","4.86","0.002","90","","101.1","0.02","90","","329.64","0.16","293","","","","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C6 H9 N S -","- C6 H9 N S -","- C12 H18 N2 S2 -","2","0.5","BK1147","Andras, M. T.; Hepp, A. F.; Fanwick, P. E.; Martuch, R. A.; Duraj, S. A.; Gordon, E. M.","4-Methylpyridinium Hydrogen Sulfide","Acta Crystallographica Section C","1996","52","7","1701","1702","10.1107/S0108270196000078","","","0.71073","MoKα","","","0.039","","","0.048","","","","","1.617","1.617","","","","","has coordinates","189206","2020-10-21","18:00:00",""
"2005079","8.144","0.001","21.772","0.001","6.966","0.001","90","","90","","90","","1235.1","0.2","295","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 B N4 O4 -","- C10 H15 B N4 O4 -","- C40 H60 B4 N16 O16 -","4","1","BK1158","Gao, Q.; Sood, A.; Ramsay Shaw, B.; Williams, L. D.","2'-Deoxycytidine-<i>N</i>3-cyanoborane","Acta Crystallographica Section C","1996","52","7","1823","1825","10.1107/S0108270195013783","","","1.5418","CuKα","","","0.029","","","0.042","","","","","1.505","1.505","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005080","10.9215","0.001","9.54","0.002","11.9604","0.001","90","","107.2","0.01","90","","1190.4","0.3","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O4 -","- C12 H12 N2 O4 -","- C48 H48 N8 O16 -","4","1","BK1163","Moreno-Fuquen, R.; do Gambardella, M. T.; de Santos, R. H.","1:1 Complex Formed by 2-Picoline <i>N</i>-Oxide and 4-Nitrophenol","Acta Crystallographica Section C","1996","52","7","1745","1747","10.1107/S0108270196000066","","","0.71073","MoKα","","0.0978","0.055","","0.1144","0.107","","","","3.302","3.934","3.934","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2005081","7.249","0.002","9.893","0.002","11.247","0.003","90","","102.86","0.02","90","","786.3","0.3","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 N O6 P -","- C4 H10 N O6 P -","- C16 H40 N4 O24 P4 -","4","1","BK1167","Maniukiewicz, W.; Kwiatkowski, W.; Blessing, R. H.","<i>O</i>-Phospho-<small>DL</small>-threonine and <i>O</i>-Phospho-<small>L</small>-threonine Compared with their Serine Analogs","Acta Crystallographica Section C","1996","52","7","1736","1741","10.1107/S0108270195015708","","","0.71069","MoKα","","","0.028","","","0.075","","","","","3.08","3.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005082","6.709","0.001","9.854","0.001","11.766","0.002","90","","90","","90","","777.86","0.19","295","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H10 N O6 P -","- C4 H10 N O6 P -","- C16 H40 N4 O24 P4 -","4","1","BK1167","Maniukiewicz, W.; Kwiatkowski, W.; Blessing, R. H.","<i>O</i>-Phospho-<small>DL</small>-threonine and <i>O</i>-Phospho-<small>L</small>-threonine Compared with their Serine Analogs","Acta Crystallographica Section C","1996","52","7","1736","1741","10.1107/S0108270195015708","","","0.71069","MoKα","","","0.026","","","0.065","","","","","2.38","2.38","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005083","6.141","0.001","19.57","0.002","11.366","0.001","90","","91.64","0.01","90","","1365.4","0.3","296","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Mn N4 O4 -","- C12 H10 Mn N4 O4 -","- C48 H40 Mn4 N16 O16 -","4","1","BK1196","Tamaki, K.; Okabe, N.","Manganese Cupferronate","Acta Crystallographica Section C","1996","52","7","1612","1614","10.1107/S0108270196002661","","","0.71069","MoKα","","","0.04","","","0.041","","","","","1.2","1.2","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005084","17.816","0.002","9.05","0.001","15.468","0.003","90","","98.7","0.01","90","","2465.3","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","cis-4,5-bis(fluorodinitromethyl)-cis-2-methoxy-1,3-dioxolane","","- C6 H6 F2 N4 O11 -","- C6 H6 F2 N4 O11 -","- C48 H48 F16 N32 O88 -","8","1","BK1205","Corbett, J. M.; Dickman, M. H.","4,5-Bis(fluorodinitromethyl)-2-methoxy-1,3-dioxolane","Acta Crystallographica Section C","1996","52","7","1851","1853","10.1107/S010827019600265X","","","0.71073","MoKα","","0.0625","0.0408","","0.1063","0.0946","","","","1.038","1.115","1.115","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005085","10.646","0.003","16.547","0.002","6.899","0.003","90","","90","","90","","1215.3","0.6","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Anthracene-1,8-dicarboxylic acid","anthracene-1,8-dicarboxylic acid","","- C16 H10 O4 -","- C16 H10 O4 -","- C64 H40 O16 -","4","1","BK1211","Fitzgerald, L. J.; Gerkin, R. E.","Anthracene-1,8-dicarboxylic Acid","Acta Crystallographica Section C","1996","52","7","1838","1841","10.1107/S0108270196002703","","","0.71073","MoKα","","","0.051","","","0.05","","","","","1.39","1.39","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005086","8.21","0.002","12.076","0.005","11.949","0.003","90","","99.71","0.02","90","","1167.7","0.6","295","2","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 O4 Ti -","- C12 H12 O4 Ti -","- C48 H48 O16 Ti4 -","4","1","BK1212","Gibson, D. H.; Ding, Y.; Richardson, J. F.; Mashuta, M. S.","Bis(η^5^-cyclopentadienyl)bis(formato-<i>O</i>)titanium","Acta Crystallographica Section C","1996","52","7","1614","1616","10.1107/S0108270196002715","","","0.7107","MoKα","","","0.038","","","0.038","","","","","1.88","1.88","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005087","8.216","0.002","16.164","0.002","12.762","0.002","90","","107.12","0.02","90","","1619.7","0.5","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","lithium isodicyclopentadienide tetramethylethylenediamine","(N,N,N',N'‒tetramethylethylenediamine)lithium(1+) (1,2,3,3a,7a‒η)‒4,5,6,7‒tetrahydro‒4,7‒methanoindenide","","- C16 H27 Li N2 -","- C16 H27 Li N2 -","- C64 H108 Li4 N8 -","4","1","BK1216","Gallucci, J. C.; Sivik, M. R.; Paquette, L. A.; Zaegel, F.; Meunier, P.; Gautheron, B.","Two Derivatives of Lithium Isodicyclopentadienide: [(1,2,3,3a,7a-η)-4,5,6,7-Tetrahydro-4,7-methanoindenido](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine)lithium and Bis(1,4,7,10-tetraoxacyclododecane)lithium(1+) Bis[(1,2,3,3a,7a-η)-4,5,6,7-tetrahydro-4,7-methanoindenido]lithate(1‒)","Acta Crystallographica Section C","1996","52","7","1673","1679","10.1107/S0108270196002454","","","0.71073","MoKα","","0.2548","0.059","","0.189","0.125","","","","1","1.253","1.253","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005088","11.818","0.001","16.129","0.002","9.871","0.001","107.05","0.01","108.23","0.01","88.7","0.01","1703.6","0.3","203","","203","","","","","","","","","4","P -1","-P 1","2","","bis(1,4,7,10‒tetraoxacyclododecane)lithium(1+) bis[(1,2,3,3a,7a‒η)‒4,5,6,7‒tetrahydro‒4,7‒methanoindenido] lithate(1-)","","- C36 H54 Li2 O8 -","- C36 H54 Li2 O8 -","- C72 H108 Li4 O16 -","2","1","BK1216","Gallucci, J. C.; Sivik, M. R.; Paquette, L. A.; Zaegel, F.; Meunier, P.; Gautheron, B.","Two Derivatives of Lithium Isodicyclopentadienide: [(1,2,3,3a,7a-η)-4,5,6,7-Tetrahydro-4,7-methanoindenido](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine)lithium and Bis(1,4,7,10-tetraoxacyclododecane)lithium(1+) Bis[(1,2,3,3a,7a-η)-4,5,6,7-tetrahydro-4,7-methanoindenido]lithate(1‒)","Acta Crystallographica Section C","1996","52","7","1673","1679","10.1107/S0108270196002454","","","0.71073","MoKα","","","0.054","","0.056","0.0555","","","","1.706","1.706","1.706","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005089","11.868","0.007","12.2","0.01","20.746","0.011","96.83","0.05","100.85","0.05","101.16","0.04","2856","3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","Di(N-propallyl-phenylammonium) phenylimidopentachloroniobate(V)","Di(N-propallyl-phenylammonium) phenylimidopentachloroniobate(V)","","- C24 H29 Cl5 N3 Nb -","- C24 H29 Cl5 N3 Nb -","- C96 H116 Cl20 N12 Nb4 -","4","2","BK1221","Polamo, M.; Leskelä, M.","Phenylimidopentachloroniobate(V) Dianion with <i>N</i>-Allylphenylammonium Counterion","Acta Crystallographica Section C","1996","52","7","1631","1634","10.1107/S0108270196003319","","","0.71069","MoKα","","0.0843","0.065","","0.15","0.1403","","","","1.042","1.104","1.104","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2005090","12.062","0.005","11.652","0.004","10.304","0.004","90","","94.13","0.03","90","","1444.4","1","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 O4 S -","- C17 H12 O4 S -","- C68 H48 O16 S4 -","4","1","BK1226","Chen, Y.-S.; Khan, M.; Rao, S. N.; Krishnaiah, M.; Raju, K. V. N.","3-[(2-Phenylsulfonyl)ethenyl]-4<i>H</i>-1-benzopyran-4-one","Acta Crystallographica Section C","1996","52","7","1847","1849","10.1107/S0108270196003526","","","0.71073","MoKα","","","0.039","","","0.042","","","","","1.78","1.78","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005091","9.68","0.003","13.093","0.003","16.607","0.005","90","0.02","91.82","0.03","90","0.02","2103.7","1","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(2-hydroxyethyl)piperidinium[2-[(2,6-dichlorophenyl)amino]phenyl]acetate","","- C21 H26 Cl2 N2 O3 -","- C21 H26 Cl2 N2 O3 -","- C84 H104 Cl8 N8 O12 -","4","1","BM1046","Castellari, C.; Sabatino, P.","Anti-Inflammatory Drugs. III. Salts of Diclofenac with <i>N</i>-(2-Hydroxyethyl)piperidine, <i>N</i>-(2-Hydroxyethyl)morpholine and <i>N</i>-(2-Hydroxyethyl)piperazine","Acta Crystallographica Section C","1996","52","7","1708","1712","10.1107/S0108270196000571","","","0.71069","MoKα","","0.1544","0.0399","","0.1345","0.0961","","","","1.003","1.136","1.136","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005092","9.525","0.002","12.962","0.004","16.579","0.007","90","","91.81","0.03","90","","2045.9","1.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(2-hydroxyethyl)morpholinium[2-[(2,6-dichlorophenyl)amino]phenyl]acetate","","- C20 H24 Cl2 N2 O4 -","- C20 H24 Cl2 N2 O4 -","- C80 H96 Cl8 N8 O16 -","4","1","BM1046","Castellari, C.; Sabatino, P.","Anti-Inflammatory Drugs. III. Salts of Diclofenac with <i>N</i>-(2-Hydroxyethyl)piperidine, <i>N</i>-(2-Hydroxyethyl)morpholine and <i>N</i>-(2-Hydroxyethyl)piperazine","Acta Crystallographica Section C","1996","52","7","1708","1712","10.1107/S0108270196000571","","","0.71069","MoKα","","0.0811","0.0428","","0.1208","0.1006","","","","1.035","1.102","1.102","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005093","9.681","0.005","13.083","0.004","16.582","0.005","90","0.03","91.66","0.04","90","0.03","2099.3","1.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(2-hydroxyethyl)piperazinium[2-[(2,6-dichlorophenyl)amino]phenyl]acetate","","- C20 H25 Cl2 N3 O3 -","- C20 H25 Cl2 N3 O3 -","- C80 H100 Cl8 N12 O12 -","4","1","BM1046","Castellari, C.; Sabatino, P.","Anti-Inflammatory Drugs. III. Salts of Diclofenac with <i>N</i>-(2-Hydroxyethyl)piperidine, <i>N</i>-(2-Hydroxyethyl)morpholine and <i>N</i>-(2-Hydroxyethyl)piperazine","Acta Crystallographica Section C","1996","52","7","1708","1712","10.1107/S0108270196000571","","","0.71069","MoKα","","0.1858","0.0422","","0.159","0.1102","","","","1.011","1.185","1.185","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005094","9.391","0.002","11.14","0.002","20.373","0.004","90","","90","","90","","2131.3","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,2,3,4-tetrahydro-1,4-disulfinylphenanthrene","","- C12 H10 O2 S2 -","- C12 H10 O2 S2 -","- C96 H80 O16 S16 -","8","1","BM1051","Martinez-Alcazar, M. P.; Fonseca, I.; Cano, F. H.","2,3-Dihydro-1,4-dithiaphenanthrene 1,4-Dioxide","Acta Crystallographica Section C","1996","52","7","1787","1789","10.1107/S0108270196001771","","","1.5418","CuKα","","0.0818","0.0435","","0.1058","0.0917","","","","0.883","1.023","1.023","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005095","8.611","0.001","9.848","0.001","9.948","0.001","68.96","0.015","68.3","0.015","89.18","0.015","724.71","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-(3'-Methyl-2'-pyridyl)-3-(-m-bromophenyl)pyrrolidin-2,5-dione","","- C16 H13 Br N2 O2 -","- C16 H13 Br N2 O2 -","- C32 H26 Br2 N4 O4 -","2","1","BM1056","Karolak-Wojciechowska, J.; Kwiatkowski, W.; Obniska, J.; Zejc, A.","3-(<i>m</i>-Bromophenyl)-1-(3-methyl-2-pyridyl)pyrrolidin-2,5-dione","Acta Crystallographica Section C","1996","52","7","1808","1810","10.1107/S0108270196002028","","","1.54178","CuKα","","0.0757","0.0567","","0.1594","0.1399","","","","1.147","1.135","1.135","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005096","9.653","0.003","7.472","0.003","14.627","0.002","90","","107.08","0.02","90","","1008.5","0.5","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H22 Cl6 O4 Sn2 -","- C8 H22 Cl6 O4 Sn2 -","- C16 H44 Cl12 O8 Sn4 -","2","0.5","BM1062","Genge, A. R. J.; Levason, W.; Reid, G.","Redetermination of [(μ-OEt)~2~{SnCl~3~(EtOH)}~2~]","Acta Crystallographica Section C","1996","52","7","1666","1668","10.1107/S0108270196002909","","","0.71073","MoKα","","0.0394","0.0247","","0.0315","0.0291","","","","1.28","1.32","1.32","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005097","4.785","0.002","7.097","0.002","7.851","0.003","89.71","0.02","87.53","0.03","73.54","0.02","255.44","0.16","298","","298","","","","","","","","","4","P -1","-P 1","2","","Lead^II^ Iron^III^ Diphosphate","","- Fe2 O14 P4 Pb -","- Fe2 O14 P4 Pb -","- Fe2 O14 P4 Pb -","1","0.5","BR1123","Boutfessi, A.; Boukhari, A.; Holt, E. M.","Lead(II) Diiron(III) Pyrophosphate and Barium Diiron(III) Pyrophosphate","Acta Crystallographica Section C","1996","52","7","1594","1597","10.1107/S0108270196000340","","","0.71073","MoKα","","","0.0421","","","0.0534","","","","","1.22","1.22","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005098","10.586","0.002","10.463","0.002","9.685","0.002","90","","103.16","0.03","90","","1044.6","0.4","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Barium Iron^III^ Diphosphate","","- Ba Fe2 O14 P4 -","- Ba Fe2 O14 P4 -","- Ba4 Fe8 O56 P16 -","4","0.5","BR1123","Boutfessi, A.; Boukhari, A.; Holt, E. M.","Lead(II) Diiron(III) Pyrophosphate and Barium Diiron(III) Pyrophosphate","Acta Crystallographica Section C","1996","52","7","1594","1597","10.1107/S0108270196000340","","","0.71073","MoKα","","","0.0421","","","0.0534","","","","","1.22","1.22","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005099","13.628","0.003","13.628","0.003","9.096","0.002","90","","90","","120","","1463","0.6","293","","293","","","","","","","","","4","R 3 :H","R 3","146","Lithium Zinc Phosphate","","","- Li O4 P Zn -","- Li O4 P Zn -","- Li18 O72 P18 Zn18 -","18","2","BR1128","Bu, X.; Gier, T. E.; Stucky, G. D.","A New Form of Lithium Zinc Phosphate with an Ordered Phenakite Structure, LiZnPO~4~","Acta Crystallographica Section C","1996","52","7","1601","1603","10.1107/S0108270195015940","","","0.71073","MolybdenumKα","","0.024","0.024","","0.034","0.034","","","","","1.75","1.75","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005100","3.911","0.002","3.911","0.002","11.734","0.001","90","","90","","90","","179.48","0.13","293","2","293","2","","","","","","","","4","P 4/m m m","-P 4 2","123","Lanthanum barium copper oxide","","","- Ba1.5 Cu3 La1.5 O6.66 -","- Ba1.5 Cu3 La1.5 O6.64 -","- Ba1.5 Cu3 La1.5 O6.64 -","1","0.0625","BR1132","Hjorth, M.","Refinement of La~1.5~Ba~1.5~Cu~3~O~7{-~<i>x</i>} from a Twinned Crystal","Acta Crystallographica Section C","1996","52","7","1599","1601","10.1107/S0108270196001692","","","0.71073","MoKα","","0.0857","0.0327","","0.1135","0.0748","","","","1.067","1.141","1.141","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005101","10.5672","0.002","15.9577","0.0012","14.5196","0.0012","90","","90","","90","","2448.4","0.5","294","","294","","","","","","","","","4","P m n b","-P 2bc 2a","62","","Di(μ-hydrido)hexadecacarbonylpentaosmium","","- C16 H2 O16 Os5 -","- C18 O16 Os5 -","- C72 O64 Os20 -","4","0.5","BR1134","Leong, W. K.; Einstein, F. W. B.; Pomeroy, R. K.","[Os~5~(μ-H)~2~(CO)~16~]: a Second Crystal Form","Acta Crystallographica Section C","1996","52","7","1607","1609","10.1107/S0108270196000339","","","0.7107","MolybdenumKα","","0.051","0.051","","0.058","0.058","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005102","6.589","0.001","5.163","0.001","15.633","0.003","90","","91.99","0.03","90","","531.5","0.17","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Copper(II) Iron(III) Diphosphate","","- Cu Fe2 O14 P4 -","- Cu Fe2 O14 P4 -","- Cu2 Fe4 O28 P8 -","2","0.5","BR1137","Boutfessi, A.; Boukhari, A.; Holt, E. M.","Copper(II) Diiron(III) Pyrophosphate","Acta Crystallographica Section C","1996","52","7","1597","1599","10.1107/S0108270196000856","","","0.71073","MoKα","","","0.042","","","0.0541","","","","","1.26","1.26","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005103","7.241","0.002","6.214","0.001","8.643","0.001","90","","101.19","0.01","90","","381.5","0.13","295","1","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H8 As N O3 -","- C6 H7 As N O3 -","- C12 H14 As2 N2 O6 -","2","1","CF1008","Nuttall, R. H.; Hunter, W. N.","<i>p</i>-Arsanilic Acid, a Redetermination","Acta Crystallographica Section C","1996","52","7","1681","1683","10.1107/S010827019501657X","","","1.54178","CuKα","","","0.044","","","0.055","","","","","1.04","1.04","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005104","18.678","0.009","7.627","0.003","19.099","0.01","90","","116.6","0.04","90","","2433","2","198","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H30 I N Sn -","- C24 H30 I N Sn -","- C96 H120 I4 N4 Sn4 -","4","1","CF1055","Howie, R. A.; Wardell, J. L.","Trimethyl[3-(triphenylstannyl)propyl]ammonium Iodide","Acta Crystallographica Section C","1996","52","7","1668","1670","10.1107/S0108270196000881","","","0.71073","MoKα","","","0.043","","","0.043","","","","","1.43","1.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005105","5.739","0.003","14.237","0.002","18.644","0.002","90","","93.65","0.01","90","","1520.2","0.8","296","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,3-dichlor-4-(p-metoxyphenyl)-1-phenyl-2-azetidinone","","- C16 H13 Cl2 N O2 -","- C16 H13 Cl2 N O2 -","- C64 H52 Cl8 N4 O8 -","4","1","CF1057","Ercan, F.; Ülkü, D.; Güner, V.","3,3-Dichloro-4-(<i>p</i>-methoxyphenyl)-1-phenyl-2-azetidinone","Acta Crystallographica Section C","1996","52","7","1779","1780","10.1107/S0108270196002119","","","0.71073","MoKα","","","0.042","","","0.04","","","","","0.64","0.64","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005106","7.4402","0.0008","14.8767","0.0013","11.5652","0.0012","90","","105.539","0.009","90","","1233.3","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","8,9,10,11-Tetrahydrobenz[c]acridine.","","- C17 H15 N -","- C17 H15 N -","- C68 H60 N4 -","4","1","CF1059","Ray, J. K.; Haldar, M. K.; Nigam, G. D.; Sivakumar, K.; Fun, H.-K.","8,9,10,11-Tetrahydrobenz[<i>c</i>]acridine","Acta Crystallographica Section C","1996","52","7","1813","1815","10.1107/S0108270196002132","","","0.71073","MoKα","","0.0585","0.0429","","0.1356","0.1279","","","","1.064","1.187","1.187","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005107","8.193","0.005","10.546","0.006","11.092","0.006","90","","103.21","0.04","90","","933","0.9","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R,3S,4R,5S,6S,7R,8S)-4-chloromethyl-3,4-diyhdroxy- 8-(4-hydroxymethacrylate)-1H,5H,6H,7H-guaia-10(14),11(13)-dien-6,12-olide,","","- C19 H23 Cl O7 -","- C19 H23 Cl O7 -","- C38 H46 Cl2 O14 -","2","1","CF1061","Mattern, G.; Weckert, E.; Youssef, D.; Frahm, A. W.","Absolute Configuration of Chlorojanerin, a Chlorine-Containing Guaianolide from <i>Centaurea scoparia</i>","Acta Crystallographica Section C","1996","52","7","1791","1793","10.1107/S0108270196000741","","","0.71073","MoKα","","0.0381","0.0354","","0.0367","0.0366","","","","2.27","2.34","2.34","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005108","7.2382","0.0005","15.9407","0.0014","13.152","0.0011","90","","93.473","0.007","90","","1514.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,5-Diazafluren-9-one Isonicotinoylhydrozone Monohydrate.","","- C17 H13 N5 O2 -","- C17 H13 N5 O2 -","- C68 H52 N20 O8 -","4","1","CF1063","Lu, Z.-L.; Shan, B.-Z.; Duan, C.-Y.; Tian, Y.-P.; You, X.-Z.; Fun, H.-K.; Sivakumar, K.","4,5-Diaza-9-fluorenone Isonicotinoylhydrazone Monohydrate","Acta Crystallographica Section C","1996","52","7","1720","1722","10.1107/S0108270196002144","","","0.71073","MoKα","","0.0615","0.0404","","0.1149","0.1063","","","","0.966","1.088","1.088","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005109","16.949","0.002","17.907","0.002","19.662","0.003","90","","90","","90","","5967.5","1.3","294","1","294","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(α-Ferrocenylphenacyl)triphenylphosphonium iodide","","- C36 H30 Fe I O P -","- C36 H30 Fe I O P -","- C288 H240 Fe8 I8 O8 P8 -","8","1","CF1086","Ahmed, S. Z.; Glidewell, C.; Ferguson, G.","Racemic (α-Ferrocenylphenacyl)triphenylphosphonium Iodide","Acta Crystallographica Section C","1996","52","7","1634","1636","10.1107/S0108270196003538","","","0.7107","MolybdenumKα","","0.1953","0.0552","","0.1132","0.0911","","","","0.802","1.151","1.151","","","","","has coordinates","192293","2020-10-21","18:00:00",""
"2005110","6.209","0.002","5.023","0.001","10.457","0.003","90","","95.35","0.03","90","","324.71","0.16","160.95","","160.95","","","","","","","","","4","P 1 21 1","P 2yb","4","","p-nitrobenzaldehyde","","- C7 H5 N O3 -","- C7 H6 N O4 -","- C14 H12 N2 O8 -","2","1","CR1179","King, Jnr, J. A.; Bryant, Jnr, G. L.","<i>p</i>-Nitrobenzaldehyde","Acta Crystallographica Section C","1996","52","7","1691","1693","10.1107/S0108270196001254","","","0.71073","MoKα","","0.0619","0.0589","","0.0755","0.0755","","","","","4.39","4.39","","","","","has coordinates","190398","2020-10-21","18:00:00",""
"2005111","11.059","0.004","14.188","0.005","11.996","0.005","90","","102.39","0.03","90","","1838.4","1.2","300","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 O4 -","- C23 H20 O4 -","- C92 H80 O16 -","4","1","DE1017","Mostafa, G.; Ray, S.; Singh, R.; Lahiri, S.","A Multichromophoric Bicyclo[2.2.2]octenone and a Photorearranged Ester Derivative","Acta Crystallographica Section C","1996","52","7","1747","1750","10.1107/S0108270195016696","","","0.7107","MoKα","","","0.047","","","0.052","","","","","1.169","1.169","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005112","6.63","0.003","21.78","0.006","14.759","0.005","90","","98.35","0.03","90","","2108.6","1.3","300","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 O5 -","- C24 H24 O5 -","- C96 H96 O20 -","4","1","DE1017","Mostafa, G.; Ray, S.; Singh, R.; Lahiri, S.","A Multichromophoric Bicyclo[2.2.2]octenone and a Photorearranged Ester Derivative","Acta Crystallographica Section C","1996","52","7","1747","1750","10.1107/S0108270195016696","","","1.5418","CuKα","","","0.063","","","0.064","","","","","1.274","1.274","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005113","20.337","0.003","5.8139","0.0006","13.362","0.002","90","","105.97","0.02","90","","1518.9","0.4","295","2","","","","","","","","","","4","C 1 2 1","C 2y","5","","5'-O-Benzoyl-3'-deoxy-2'-keto-alpha-uridine","","- C16 H14 N2 O6 -","- C16 H14 N2 O6 -","- C64 H56 N8 O24 -","4","1","DE1026","Suresh, C. G.; Sakthivel, K.; Pathak, T.","5'-<i>O</i>-Benzoyl-2',3'-dideoxy-2'-oxo-α-uridine","Acta Crystallographica Section C","1996","52","7","1776","1779","10.1107/S0108270195017082","","","0.71069","MoKα","","0.0823","0.0365","","0.1057","0.0794","","","","0.714","0.776","0.776","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005114","4.8984","0.0004","8.3919","0.0008","7.034","0.001","90","","109.33","0.01","90","","272.83","0.07","294","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Li Mo O7 P2 -","- Li Mo O7 P2 -","- Li2 Mo2 O14 P4 -","2","1","","","LiMoP~2~O~7~","Acta Crystallographica C","1996","52","","1593","1594","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005115","9.666","0.001","8.062","0.001","12.996","0.001","90","","97.262","0.009","90","","1004.62","0.18","299","2","299","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H Ni O14 P5 -","- H Ni O14 P5 -","- H4 Ni4 O56 P20 -","4","1","DU1148","Olbertz, A.; Stachel, D.; Svoboda, I.; Fuess, H.","NiHP~5~O~14~ Ultraphosphate","Acta Crystallographica Section C","1996","52","7","1603","1605","10.1107/S0108270196000595","","","0.71093","MoKα","","0.0737","0.0302","","0.0729","0.0636","","","","1.023","1.066","1.066","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005116","8.042","0.0008","8.4045","0.0008","15.174","0.001","105.021","0.008","95.128","0.009","95.326","0.008","979.39","0.16","298","","298","","","","","","","","","8","P -1","-P 1","2","","trans-dichloloro-triethylphosphine-2-n-propylsulfinylpyridine-palladium(II)","","- C14 H26 Cl2 N O P Pd S -","- C14 H26 Cl2 N O P Pd S -","- C28 H52 Cl4 N2 O2 P2 Pd2 S2 -","2","1","FG1058","Rodrigues, A. M. G. D.; do Gambardella, M. T.; Francisco, R. H. P.; de Sousa, G. F.; Filgueiras, C. A. L.","<i>trans</i>-Dichloro(2-<i>n</i>-propylsulfinylpyridine-<i>N</i>)(triethylphosphine-<i>P</i>)palladium(II)","Acta Crystallographica Section C","1996","52","7","1641","1642","10.1107/S0108270196002478","","","0.71073","MoKα","","0.0612","0.0427","","0.0576","0.0476","","","","1.26","1.33","1.33","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005117","7.851","0.001","10.239","0.002","10.869","0.002","63.03","0.01","80.85","0.01","85.97","0.01","768.8","0.2","298","","298","","","","","","","","","4","P -1","-P 1","2","","(4aα, 8α, 8aα)-(+,-)-Octahydro-8-(4-bromobenzoate)-1 (2H)-naphthalenone","","- C17 H19 Br O3 -","- C17 H19 Br O3 -","- C34 H38 Br2 O6 -","2","1","FG1079","Abboud, K. A.; Xie, Y.; Enholm, E. J.","A <i>cis</i>-Fused Decalone and a Bicyclo[4.3.1]decanone Ring System","Acta Crystallographica Section C","1996","52","7","1829","1831","10.1107/S0108270196000121","","","0.71073","MoKα","","0.0881","0.069","","0.0523","0.0476","","","","","1.41","1.41","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005118","12.01","","7.553","","12.134","","90","","110.34","","90","","1032.06","","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(±)-endo-5-hydroxy-1-methylbicyclo[4.3.1.]decan-7-one","","- C11 H18 O2 -","- C11 H18 O2 -","- C44 H72 O8 -","4","1","FG1079","Abboud, K. A.; Xie, Y.; Enholm, E. J.","A <i>cis</i>-Fused Decalone and a Bicyclo[4.3.1]decanone Ring System","Acta Crystallographica Section C","1996","52","7","1829","1831","10.1107/S0108270196000121","","","0.71073","MoKα","","0.0771","0.0463","","0.0564","0.0526","","","","","1.55","1.55","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005119","16.445","0.002","6.3075","0.0006","21.092","0.003","90","","112.02","0.01","90","","2028.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-dimethyl-cis-dicloro-μ-bis{meso-1,2-di(phenylsulphinyl)ethane}-tin(IV)","","- C16 H20 Cl2 O2 S2 Sn -","- C16 H20 Cl2 O2 S2 Sn -","- C64 H80 Cl8 O8 S8 Sn4 -","4","1","FG1084","Carvalho, C. C.; Francisco, R. H. P.; do Gambardella, M. T.; de Sousa, G. F.; Filgueiras, C. A. L.","<i>catena</i>-Poly[<i>cis</i>-dichloro-<i>trans</i>-dimethyltin(IV)-μ-<i>meso</i>-1,2-bis(phenylsulfinyl)ethane-<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","1996","52","7","1629","1631","10.1107/S0108270196002466","","","0.71073","MoKα","","0.0577","0.0334","","0.1008","0.0836","","","","1.09","1.038","1.038","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005120","11.356","0.001","11.862","0.001","12.989","0.001","106.88","0.01","102.95","0.01","94.38","0.01","1612.8","0.3","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H40 Cu N4 O9 -","- C26 H36 Cu N4 O13 -","- C52 H72 Cu2 N8 O26 -","2","1","FG1104","Neves, A.; Vencato, I.; Verani, C. N.","Bis[2-(2-pyridylmethylaminomethyl)phenol]copper(II) Diacetate Trihydrate [Cu(HBPA)~2~](CH~3~COO)~2~.3H~2~O","Acta Crystallographica Section C","1996","52","7","1648","1651","10.1107/S0108270196000108","","","0.71073","Mo","","0.08","0.0609","","","0.0823","","","","","1.96","1.96","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005121","15.754","0.004","11.468","0.004","15.084","0.003","90","","108.97","0.02","90","","2577.2","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Pt(tpy)(MeIm)](ClO4)2.CH3CN","2,2':6',2''-Terpyridine(1-methylimidazole)platinum(II) Perchlorate Acetonitrile Solvate","","- C21 H20 Cl2 N6 O8 Pt -","- C21 H20 Cl2 N6 O8 Pt -","- C84 H80 Cl8 N24 O32 Pt4 -","4","1","FG1115","Roszak, A. W.; Clement, O.; Buncel, E.","2,2':6',2''-Terpyridine(1-methylimidazole-<i>N</i>^3^)platinum(II) Perchlorate Acetonitrile Solvate","Acta Crystallographica Section C","1996","52","7","1645","1648","10.1107/S0108270196001370","","","0.71069","MoKα","","0.0937","0.0382","","0.1239","0.0939","","","","1.006","1.091","1.091","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2005122","12.365","0.003","13.192","0.003","13.373","0.002","90","","113.38","0.02","90","","2002.3","0.8","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cl3 N3 Zn -","- C19 H20 Cl3 N3 Zn -","- C76 H80 Cl12 N12 Zn4 -","4","1","FG1168","Parvez, M.; Sabir, A. P.","Clemizoledichlorozinc(II)","Acta Crystallographica Section C","1996","52","7","1651","1653","10.1107/S0108270196003605","","","0.71069","MoKα","","","0.033","","","0.031","","","","","1.273","1.273","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005123","9.802","0.007","21.172","0.005","5.504","0.005","90","","90","","90","","1142.2","1.3","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2-deoxy-α-D-erythropentopyranosyl) 1-(R),2-(R)-4,4- dimethylpyrazolidine-3,5-dione","","- C10 H16 N2 O5 -","- C10 H16 N2 O5 -","- C40 H64 N8 O20 -","4","1","FG1174","Kolb, V. M.; Colloton, P. A.; Robinson, P. D.; Lutfi, H. G.; Meyers, C. Y.","(1<i>R</i>,2<i>R</i>)-4,4-Dimethylpyrazolidine-3,5-dione-α-<small>D</small>-pyranosyl-2-deoxyriboside","Acta Crystallographica Section C","1996","52","7","1781","1784","10.1107/S0108270196004416","","","0.71069","MoKα","","","0.058","","","0.048","","","","","1.35","1.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005124","15.312","0.005","10.3","0.003","17.554","0.005","90","","93.68","0.03","90","","2762.8","1.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(Bromodifluoromethyl)diphenylphosphine sulfide","","- C13 H10 Br F2 P S -","- C13 H10 Br F2 P S -","- C104 H80 Br8 F16 P8 S8 -","8","1","FG1182","Jones, P. G.","(Bromodifluoromethyl)diphenylphosphine Sulfide","Acta Crystallographica Section C","1996","52","7","1793","1795","10.1107/S0108270196004489","","","0.71073","MoKα","","0.0432","0.0313","","0.0856","0.0749","","","","1.065","1.043","1.043","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005125","4.098","0.003","25.665","0.002","12.989","0.003","90","","97.22","0.05","90","","1355.3","1.1","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N3 O3 S -","- C14 H11 N3 O3 S -","- C56 H44 N12 O12 S4 -","4","1","HA1152","Zhang, D.-C.; Zhang, Y.-Q.; Cao, Y.; Zhao, B.","1-Benzoyl-3-(4-nitrophenyl)thiourea","Acta Crystallographica Section C","1996","52","7","1716","1718","10.1107/S0108270196001047","","","0.7107","MoKα","","","0.034","","","0.044","","","","","1.63","1.63","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005126","11.614","0.014","5.288","0.005","10.602","0.015","90","","110.02","0.03","90","","611.8","1.3","150","0.2","150","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,6-bis(1,3-dioxolan-2-one)-2,5-dithiahexane","","- C10 H14 O6 S2 -","- C10 H14 O6 S2 -","- C20 H28 O12 S4 -","2","0.5","HA1158","Blake, A. J.; Parsons, S.; Richtzenhain, H.; Schröder, M.","2,5-Dithiahexane-1,6-diyl-4,4'-bis(1,3-dioxolan-2-one)","Acta Crystallographica Section C","1996","52","7","1699","1701","10.1107/S0108270196001515","","","0.71073","MoKα","","0.0903","0.0732","","0.1948","0.1749","","","","1.162","1.217","1.217","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005127","10.492","0.002","11.436","0.002","9.334","0.001","92.04","0.01","97.31","0.02","110.68","0.02","1035.4","0.3","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 N3 S -","- C23 H25 N3 S -","- C46 H50 N6 S2 -","2","1","JZ1081","Ergin, Ö.; Sillanpää, R.; Yeşilada, A.","5-Benzylidene-8-ethylthiocarbamoyl-9-phenyl-7,8-diazabicyclo[4.3.0]non-6-ene","Acta Crystallographica Section C","1996","52","7","1770","1772","10.1107/S0108270195015794","","","0.71069","MoKα","","","0.037","","","0.044","","","","","1.46","1.46","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005128","6.689","0.006","8.79","0.009","9.447","0.008","95.23","0.09","104.88","0.07","92.21","0.06","533.5","0.9","153","2","153","2","","","","","","","","5","P -1","-P 1","2","TAPSO","3-(N-tris(hydroxymethyl) methylamino)-2-hydroxy-propanesulfonic acid","","- C7 H17 N O7 S -","- C7 H17 N O7 S -","- C14 H34 N2 O14 S2 -","2","1","JZ1092","Wouters, J.; Stalke, D.","TAPSO at Low Temperature","Acta Crystallographica Section C","1996","52","7","1684","1686","10.1107/S0108270196001199","","","0.71073","MoKα","","0.0461","0.0379","","0.1401","0.1001","","","","1.074","1.093","1.093","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005129","11.804","0.003","11.392","0.003","16.256","0.004","90","","90","","90","","2186","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H18 N2 O4 S -","- C8 H18 N2 O4 S -","- C64 H144 N16 O32 S8 -","8","1","JZ1093","Wouters, J.; Häming, L.; Sheldrick, G.","HEPES","Acta Crystallographica Section C","1996","52","7","1687","1688","10.1107/S0108270196001187","","","1.54178","CuKα","","0.0501","0.0487","","0.1362","0.1334","","","","1.103","1.114","1.114","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005130","5.579","0.002","8.014","0.002","12.014","0.002","95.72","0.01","95.72","0.01","92.54","0.02","531","0.2","102","","","","","","","","","","","3","P -1","-P 1","2","","","","- C9 H21 P -","- C9 H21 P -","- C18 H42 P2 -","2","1","JZ1100","Bruckmann, J.; Krüger, C.","Tris(<i>n</i>-propyl)phosphine and Tris(isopropyl)phosphine","Acta Crystallographica Section C","1996","52","7","1733","1736","10.1107/S0108270195017100","","","0.71073","MoKα","","","0.051","","","0.068","","","","","1.73","1.73","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005131","8.622","0.003","14.368","0.002","8.928","0.002","90","","106.19","0.02","90","","1062.1","0.5","102","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H21 P -","- C9 H21 P -","- C36 H84 P4 -","4","1","JZ1100","Bruckmann, J.; Krüger, C.","Tris(<i>n</i>-propyl)phosphine and Tris(isopropyl)phosphine","Acta Crystallographica Section C","1996","52","7","1733","1736","10.1107/S0108270195017100","","","0.71073","MoKα","","","0.078","","","0.101","","","","","1.75","1.75","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005132","10.741","0.002","20.532","0.004","8.776","0.002","90","","90","","90","","1935.4","0.7","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","Bis(1,3-diaminopropane(diiodo)platinum(IV) Diiodide Dihydrate","","- C6 H24 I4 N4 O2 Pt -","- C6 H24 I4 N4 O2 Pt -","- C24 H96 I16 N16 O8 Pt4 -","4","0.25","JZ1105","Pajunen, A.; Oksanen, A.; Leskelä, M.","Bis(1,3-diaminopropane)diiodoplatinum(IV) Diiodide Dihydrate","Acta Crystallographica Section C","1996","52","7","1643","1645","10.1107/S0108270196002235","","","0.71073","MoKα","","0.055","0.0328","","0.0788","0.0741","","","","0.923","1.046","1.046","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005133","10.004","0.003","10.168","0.002","12.166","0.004","75.02","0.03","88.21","0.03","61.36","0.03","1042.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Aquotriglycinecerium(III) hexacyanoferrate(III) monohydrate.","","- C24 H38 Ce2 Fe2 N18 O16 -","- C24 H38 Ce2 Fe2 N18 O16 -","- C24 H38 Ce2 Fe2 N18 O16 -","1","0.5","JZ1110","García-Granda, S.; Morales, A. D.; Ruíz, E. R.; Fernández Bertrán, J.","Aqua(hexacyanoferrato-<i>N</i>)bis(μ-glycine)glycinecerium(III) Monohydrate","Acta Crystallographica Section C","1996","52","7","1679","1681","10.1107/S0108270196003149","","","0.71073","MoKα","","0.0234","0.0188","","0.0486","0.0471","","","","1.083","1.097","1.097","","","","","has coordinates","249787","2020-10-21","18:00:00",""
"2005134","8.699","0.001","26.465","0.001","7.769","0.001","90","","95.23","0.01","90","","1781.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-(tert-butyl)-4-methyl-2-phenyl-3-[(trimethylsilyl)oxy]oxetane","3-(1,1-dimethylethyl)-4-methyl-2-phenyl-3-[(trimethylsilyl)oxy]oxacyclobutane","","- C17 H28 O2 Si -","- C17 H28 O2 Si -","- C68 H112 O8 Si4 -","4","1","JZ1113","Kotila, S.; Jäntti, A.; Penttinen, S.; Bach, T.","3-<i>tert</i>-Butyl-4-methyl-2-phenyl-3-(trimethylsilyloxy)oxetane and 2-(2-Benzyloxyphenyl)-3-<i>tert</i>-butyl-3-(trimethylsilyloxy)oxetane","Acta Crystallographica Section C","1996","52","7","1722","1725","10.1107/S0108270196002740","","","1.54178","CuKα","","0.061","0.055","","0.181","0.163","","","","1.075","1.096","1.096","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005135","14.701","0.002","10.153","0.001","15.42","0.002","90","","96.26","0.01","90","","2287.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(2-Benzyloxyphenyl)-3-(tert-butyl)-3-[(trimethylsilyl)oxy]oxetane","2-(2-benzyloxyphenyl)-3-(1,1-dimethylethyl)-3-[(trimethylsilyl)oxy]- oxacyclobutane","","- C23 H32 O3 Si -","- C23 H32 O3 Si -","- C92 H128 O12 Si4 -","4","1","JZ1113","Kotila, S.; Jäntti, A.; Penttinen, S.; Bach, T.","3-<i>tert</i>-Butyl-4-methyl-2-phenyl-3-(trimethylsilyloxy)oxetane and 2-(2-Benzyloxyphenyl)-3-<i>tert</i>-butyl-3-(trimethylsilyloxy)oxetane","Acta Crystallographica Section C","1996","52","7","1722","1725","10.1107/S0108270196002740","","","0.71073","MoKα","","0.072","0.046","","0.147","0.123","","","","1.052","1.073","1.073","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005136","7.237","0.002","10.434","0.001","17.45","0.002","90","","99.42","0.01","90","","1299.9","0.4","123","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 Br N2 S Se -","- C11 H13 Br N2 S Se -","- C44 H52 Br4 N8 S4 Se4 -","4","1","KA1156","Billing, D. G.; Boeyens, J. C. A.; Lai, L.-L.; Reid, D. H.","5-Ethylamino-3-<i>p</i>-tolyl-1λ^4^,2,4-thiaselenazol-1-ylium Bromide: a New Heteroaromatic System","Acta Crystallographica Section C","1996","52","7","1718","1719","10.1107/S0108270195017252","","","0.71069","MoKα","","","0.0355","","","0.0969","","","","","0.983","0.983","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005137","3.916","0.0008","15.019","0.003","26.479","0.005","90","","94.83","0.02","90","","1551.8","0.5","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","Solvent Violet 13, Disperse Blue 72","1-hydroxy-4-[(4-methylphenyl)amino]-9,10-anthracenedione","","- C21 H15 N O3 -","- C21 H15 N O3 -","- C84 H60 N4 O12 -","4","2","KA1165","Yatsenko, A. V.; Zhukov, S. G.; Medvedev, S. V.; Stalnaya, T. V.","Phase Transition and Expected Non-Linear Polarizability of 1-Hydroxy-4-(4-methylphenylamino)-9,10-anthraquinone","Acta Crystallographica Section C","1996","52","7","1853","1856","10.1107/S0108270196000625","","","0.71073","MoKα","","0.1117","0.042","","0.0853","0.0692","","","","0.888","1.218","1.218","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005138","11.0672","0.0008","17.685","0.0012","12.0475","0.0008","90","","111.945","0.005","90","","2187.1","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","morusin","2-(2,4-dihydroxyphenyl)-5-hydroxy-3-(3-methyl-2-butenyl)-4H-6,6-dimethylpyrano- [2,3-h]-1-benzopyran-4-one","","- C25 H24 O6 -","- C25 H24 O6 -","- C100 H96 O24 -","4","1","KA1170","Uchida, A.; Mizutani, H.; Ohshima, S.; Oonishi, I.; Hano, Y.; Fukai, T.; Nomura, T.","Morusin and Morusin Dimethyl Ether","Acta Crystallographica Section C","1996","52","7","1713","1716","10.1107/S0108270196001382","","","1.5418","CuKα","","0.08","0.0605","","0.2162","0.1848","","","","0.787","0.778","0.778","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005139","11.326","0.002","11.806","0.002","9.688","0.002","99.87","0.02","103.31","0.02","105.73","0.01","1175","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","morusindimethylether","2-(2,4-dimethoxyphenyl)-5-hydroxy-3-(3-methyl-2-butenyl)-4H-6,6-dimethylpyrano- [2,3-h]-1-benzopyran-4-one","","- C27 H28 O6 -","- C27 H28 O6 -","- C54 H56 O12 -","2","1","KA1170","Uchida, A.; Mizutani, H.; Ohshima, S.; Oonishi, I.; Hano, Y.; Fukai, T.; Nomura, T.","Morusin and Morusin Dimethyl Ether","Acta Crystallographica Section C","1996","52","7","1713","1716","10.1107/S0108270196001382","","","1.5418","CuKα","","0.0546","0.0495","","0.1539","0.1422","","","","0.699","0.693","0.693","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005140","10.08","0.007","12.972","0.007","19.874","0.013","90","","100.22","0.06","90","","2557","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dicyanamidebis(1,10-phenanthroline)copper(II) Tricyanomethanide.","","- C30 H16 Cu N10 -","- C30 H16 Cu N10 -","- C120 H64 Cu4 N40 -","4","1","KA1175","Potočňák, I.; Dunaj-Jurčo, M.; Mikloš, D.; Jäger, L.","(Dicyanamido)bis(1,10-phenanthroline)copper(II) Tricyanomethanide","Acta Crystallographica Section C","1996","52","7","1653","1655","10.1107/S010827019600296X","","","0.71073","MoKα","","0.1095","0.0487","","0.1284","0.1013","","","","1.022","1.145","1.145","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005141","7.087","0.002","10.2878","0.0015","19.539","0.003","88.82","0.012","85.49","0.02","72.92","0.02","1357.5","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Sodium 1,12-dodecylene disulfate hydrate","","- C12 H25.33 Na2 O8.67 S2 -","- C12 H25.3333 Na2 O8.66667 S2 -","- C36 H76 Na6 O26 S6 -","3","1.5","KA1176","Rudert, R.; Czichocki, G.","Sodium 1,12-Dodecylene Disulfate Hydrate","Acta Crystallographica Section C","1996","52","7","1670","1673","10.1107/S0108270196003071","","","0.71073","MoKα","","0.0852","0.0504","","0.162","0.1366","","","","1.021","1.054","1.054","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005142","6.6813","0.0004","14.7787","0.0009","10.2608","0.0009","90","","96.29","0.02","90","","1007.06","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","His-Tyr dihydrochloride dihydrate","L-Histidyl-L-tyrosinium dichloride dihydrate","","- C15 H24 Cl2 N4 O6 -","- C15 H24 Cl2 N4 O6 -","- C30 H48 Cl4 N8 O12 -","2","1","KA1180","Steiner, Th.","<small>L</small>-Histidyl-<small>L</small>-tyrosinium Dichloride Dihydrate, C~15~H~20~N~4~O~4~^2+^.2Cl^{-^}.2H~2~O","Acta Crystallographica Section C","1996","52","7","1845","1847","10.1107/S0108270196002430","","","1.54176","CuKα","","0.0329","0.0257","","0.0825","0.066","","","","1.101","1.107","1.107","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005143","7.3732","0.0007","11.0354","0.0009","13.82","0.001","90","","90","","90","","1124.48","0.16","298","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 N6 -","- C12 H10 N6 -","- C48 H40 N24 -","4","1","KH1014","Liou, L.-S.; Chen, P.-S.; Sun, C.-H.; Wang, J.-C.","An Orthorhombic Phase of 3,6-Di(2-pyridyl)-1,4-dihydro-1,2,4,5-tetrazine","Acta Crystallographica Section C","1996","52","7","1841","1843","10.1107/S0108270195016635","","","0.71073","MoKα","","","0.0313","","","0.0379","","","","","0.91","0.91","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005144","10.4375","0.0007","15.835","0.001","11.0997","0.0008","90","","104.151","0.006","90","","1778.9","0.2","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Cis-dichloro-trans-dimethyl-μ-(meso-1,2-bis(n-propilsulfinyl)ethane)tin(IV)]","","- C10 H24 Cl2 O2 S2 Sn -","- C10 H24 Cl2 O2 S2 Sn -","- C40 H96 Cl8 O8 S8 Sn4 -","4","1","KH1065","Carvalho, C. C.; Francisco, R. H. P.; do Gambardella, M. T.; de Sousa, G. F.; Filgueiras, C. A. L.","<i>catena</i>-Poly[<i>cis</i>-dichloro-<i>trans</i>-dimethyltin(IV)-μ-<i>meso</i>-1,2-bis(propylsulfinyl)ethane-<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","1996","52","7","1627","1629","10.1107/S0108270196002090","","","0.7107","MoKα","","","0.0325","","","0.0927","","","","","1.098","1.098","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005145","6.713","0.003","12.602","0.004","10.869","0.006","90","","94.1","0.05","90","","917.1","0.7","296","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 N O4 -","- C10 H9 N O4 -","- C40 H36 N4 O16 -","4","1","KH1080","Okabe, N.; Miura, J.; Shimosaki, A.","Kynurenic Acid Monohydrate","Acta Crystallographica Section C","1996","52","7","1827","1829","10.1107/S0108270196001734","","","0.71069","MoKα","","","0.096","","","0.079","","","","","1.62","1.62","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2005146","9.089","0.002","9.418","0.003","12.575","0.008","89.45","0.04","105.25","0.03","91.85","0.02","1038","0.8","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 In O P -","- C22 H24 In O P -","- C44 H48 In2 O2 P2 -","2","1","KH1081","Wang, W.; Pan, Y.; Huang, X.; Sun, H.; Lu, Z.; Sun, X.","(5-Benzyldibenzo[<i>b</i>,<i>d</i>]phosphole 5-oxide)trimethylindium","Acta Crystallographica Section C","1996","52","7","1661","1663","10.1107/S0108270196001606","","","0.71073","MoKα","","","0.044","","","0.057","","","","","1.9","1.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005147","12.71","0.004","20.41","0.006","7.325","0.004","99.86","0.03","99.44","0.03","92.55","0.02","1841.6","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","8OCB","4'-octyloxy-4-cyanobiphenyl","","- C21 H25 N O -","- C21 H25 N O -","- C84 H100 N4 O4 -","4","2","KH1089","Hori, K.; Kurosaki, M.; Wu, H.; Itoh, K.","Two Crystal Forms of 4'-octyloxy-4-cyanobiphenyl (8OCB)","Acta Crystallographica Section C","1996","52","7","1751","1754","10.1107/S0108270196003447","","","1.5418","CuKα","","0.2183","0.0845","","0.3781","0.2315","","","","0.911","0.906","0.906","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005148","8.551","0.003","36.14","0.01","5.857","0.002","90","","95.09","0.03","90","","1802.9","1","243","2","243","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","8OCB","4'-octyloxy-4-cyanobiphenyl","","- C21 H25 N O -","- C21 H25 N O -","- C84 H100 N4 O4 -","4","1","KH1089","Hori, K.; Kurosaki, M.; Wu, H.; Itoh, K.","Two Crystal Forms of 4'-octyloxy-4-cyanobiphenyl (8OCB)","Acta Crystallographica Section C","1996","52","7","1751","1754","10.1107/S0108270196003447","","","0.7107","MoKα","","0.1004","0.0674","","0.2524","0.2313","","","","0.682","0.735","0.735","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005149","10.004","0.001","10.273","0.001","14.719","0.001","90","","90","","90","","1512.7","0.2","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 S -","- C15 H20 O4 S -","- C60 H80 O16 S4 -","4","1","LI1145","Zukerman-Schpector, J.; Monteiro, H. J.","Intermediates in the Synthesis of (+)-Grandisol. I","Acta Crystallographica Section C","1996","52","7","1767","1770","10.1107/S0108270196004222","","","0.71073","MoKα","","0.1035","0.0681","","0.2031","0.1613","","","","1.119","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005150","7.64","0.001","9.842","0.001","11.059","0.001","116.16","0.01","100.76","0.01","90.26","0.01","729.69","0.16","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H20 O4 S -","- C15 H20 O4 S -","- C30 H40 O8 S2 -","2","1","LI1145","Zukerman-Schpector, J.; Monteiro, H. J.","Intermediates in the Synthesis of (+)-Grandisol. I","Acta Crystallographica Section C","1996","52","7","1767","1770","10.1107/S0108270196004222","","","0.71073","MoKα","","0.0578","0.0448","","0.1304","0.1152","","","","1.084","1.063","1.063","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2005151","9.36","0.002","9.845","0.002","15.216","0.004","85.18","0.02","77.79","0.02","63.75","0.02","1229","0.5","118","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 N2 O6 V -","- C28 H28 N2 O7 V -","- C56 H56 N4 O14 V2 -","2","1","MU1216","Hope, H.; Borer, L. L.","5,5'-(2-Hydroxy-1,3-propandiyldiamino)bis(1-phenyl-1,3-hexanedionato-<i>O</i>,<i>O</i>')oxovanadium(IV), [VO(C~27~H~28~N~2~O~5~)]","Acta Crystallographica Section C","1996","52","7","1621","1624","10.1107/S0108270196002636","","","1.54178","CuKα","","0.0908","0.065","","0.1668","0.147","","","","","1.054","1.054","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2005152","14.15","0.003","6.257","0.002","12.433","0.002","90","","109.4","0.01","90","","1038.3","0.4","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,5,6,7,8,9-Hexahydro-10-hydroxy-5,9-methano-4H-thieno[3,2-c]azonine, C~11~H~15~NOS","","- C11 H15 N O S -","- C11 H15 N O S -","- C44 H60 N4 O4 S4 -","4","1","MU1226","Kozísek, J.; Berkes, D.; Svoboda, I.; Decroix, B.","5,6,7,8,9,10-Hexahydro-10-hydroxy-5,9-methano-4<i>H</i>-thieno[3,2-<i>c</i>]azonine","Acta Crystallographica Section C","1996","52","7","1825","1826","10.1107/S0108270196002612","","","0.71069","MoKα","","0.0329","0.0305","","0.0831","0.0812","","","","1.082","1.096","1.096","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005153","9.3096","0.0008","7.9319","0.0009","10.4302","0.0008","90","","95.297","0.007","90","","766.91","0.12","296","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Co N2 O10 -","- C14 H12 Co N2 O10 -","- C28 H24 Co2 N4 O20 -","2","0.5","MU1229","Okabe, N.; Miura, J.; Shimosaki, A.","A Hydrated Cobalt(II) Complex of Quinolinic Acid: <i>trans</i>-[Co(C~7~H~4~NO~4~)~2~(H~2~O)~2~]","Acta Crystallographica Section C","1996","52","7","1610","1612","10.1107/S0108270196002314","","","0.71069","MoKα","","","0.032","","","0.056","","","","","2.73","2.73","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005154","9.57","0.002","15.15","0.004","14.602","0.002","90","","99.21","0.02","90","","2089.8","0.8","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Cd Cl2 N4 -","- C24 H16 Cd Cl2 N4 -","- C96 H64 Cd4 Cl8 N16 -","4","1","MU1246","Wang, H.; Xiong, R.-G.; Chen, H.-Y.; Huang, X.-Y.; You, X.-Z.","<i>cis</i>-Dichlorobis(1,10-phenanthroline-<i>N</i>^1^,<i>N</i>^10^)cadmium(II)","Acta Crystallographica Section C","1996","52","7","1658","1661","10.1107/S0108270196002326","","","0.71069","MoKα","","","0.04","","","0.053","","","","","1.63","1.63","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005155","16.363","0.002","5.8964","0.0004","16.347","0.001","90","","96.84","0.01","90","","1566","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Pentafluorophhenyl)diphenylphosphine.","","- C18 H10 F5 P -","- C18 H10 F5 P -","- C72 H40 F20 P4 -","4","1","MU1247","bin Shawkataly, O.; Chong, M.-L.; Fun, H.-K.; Sivakumar, K.","(Pentafluorophenyl)diphenylphosphine","Acta Crystallographica Section C","1996","52","7","1725","1727","10.1107/S0108270196001540","","","0.71073","MoKα","","0.0759","0.0402","","0.1266","0.1027","","","","0.921","0.972","0.972","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005156","8.222","0.002","12.244","0.003","17.277","0.004","90","","99","0.01","90","","1717.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 2-Methoxycarbonylamino-3,3-diphenylpropionate","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","MU1257","Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.","Methyl 2-Methoxycarbonylamino-3,3-diphenylpropionate, an Interesting Diphenylalanine (DIP) Derivative","Acta Crystallographica Section C","1996","52","7","1789","1791","10.1107/S0108270196004052","","","0.71073","MoKα","","0.2105","0.0742","","0.2042","0.1431","","","","1.015","1.234","1.234","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005157","12.533","0.002","7.6536","0.0009","16.804","0.002","90","","101.03","0.01","90","","1582.1","0.4","293","","","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C15 H25 N3 O2 -","- C15 H25 N3 O2 -","- C60 H100 N12 O8 -","4","1","NA1214","Saviano, M.; Lombardi, A.; Pavone, V.; Yamada, T.; Yanagi, T.; Iwamoto, A.; Kuwata, S.","A Racemic Bicyclic Acylamidine from a Tripeptide Derivative","Acta Crystallographica Section C","1996","52","7","1705","1708","10.1107/S0108270196001102","","","1.54056","CuKα","","","0.045","","","0.042","","","","","0.802","0.802","","","","","has coordinates,has disorder","198895","2020-10-21","18:00:00",""
"2005158","9.835","0.001","13.484","0.001","5.44","0.001","93.51","0.01","93.68","0.01","91.462","0.01","718.27","0.16","293","","20","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 N2 O2 S -","- C15 H14 N2 O2 S -","- C30 H28 N4 O4 S2 -","2","1","NA1222","Cao, Y.; Zhao, B.; Zhang, Y.-Q.; Zhang, D.-C.","1-Benzoyl-3-(4-methoxyphenyl)thiourea","Acta Crystallographica Section C","1996","52","7","1772","1774","10.1107/S0108270196001989","","","0.7107","MoKα","","","0.033","","","0.048","","","","","1.51","1.51","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005159","10.156","0.001","10.751","0.002","13.007","0.002","90","","90","","90","","1420.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Z-2-Phenyl-4-[(S)-2,2-dimethyl-1,3-dioxolan-4-ylmethylen]-5(4H)-oxazolone.","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","NA1223","Buñuel, E.; Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.; Jiménez, A. I.","(<i>Z</i>)-4-[(<i>S</i>)-2,2-Dimethyl-1,3-dioxolan-4-ylmethylidene]-2-phenyl-1,3-oxazol-5(4<i>H</i>)-one","Acta Crystallographica Section C","1996","52","7","1810","1813","10.1107/S0108270196004246","","","0.71073","MoKα","","0.0742","0.0483","","0.1561","0.1363","","","","1.051","1.086","1.086","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005160","4.809","0.003","17.846","0.004","8.825","0.005","90","","93.68","0.03","90","","755.8","0.7","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 N3 O3 -","- C14 H19 N3 O3 -","- C28 H38 N6 O6 -","2","1","NA1224","Puliti, R.; De Sena, C.; Mattia, C. A.","<i>N</i>-Acetyl-<small>L</small>-phenylalanyl-<small>L</small>-alaninamide","Acta Crystallographica Section C","1996","52","7","1820","1823","10.1107/S0108270196002910","","","1.54056","CuKα","","","0.047","","","0.045","","","","","0.93","0.93","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2005161","5.222","0.001","5.406","0.001","10.838","0.002","90.89","0.01","92.34","0.01","110.02","0.01","287.09","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","DL-Valine","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C10 H22 N2 O4 -","2","1","NA1226","Dalhus, B.; Görbitz, C. H.","Triclinic Form of <small>DL</small>-Valine","Acta Crystallographica Section C","1996","52","7","1759","1761","10.1107/S0108270196002491","","","0.71069","MoKα","","0.0478","0.0452","","0.1201","0.1177","","","","1.141","1.163","1.163","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005162","9.441","0.002","5.222","0.001","11.337","0.004","90","","109","0.02","90","","528.5","0.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-cysteine","","- C3 H7 N O2 S -","- C3 H7 N O2 S -","- C12 H28 N4 O8 S4 -","4","2","NA1229","Görbitz, C. H.; Dalhus, B.","<small>L</small>-Cysteine, Monoclinic Form, Redetermination at 120K","Acta Crystallographica Section C","1996","52","7","1756","1759","10.1107/S0108270196003952","","","0.71069","MoKα","","0.0323","0.0311","","0.0836","0.0825","","","","1.066","1.071","1.071","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2005163","9.743","0.006","19.027","0.004","6.973","0.003","90","","100.68","0.04","90","","1270.3","1","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Cl N3 O4 S2 -","- C7 H10 Cl N3 O4 S2 -","- C28 H40 Cl4 N12 O16 S8 -","4","1","PA1190","Pedregosa, J. C.; Borrás, J.; Fustero, S.; García-Granda, S.; Díaz, M. R.","A New Precursor of 1,3,4-Thiadiazolesulfonamides: 5-<i>tert</i>-Butyloxycarbonylamino-1,3,4-thiadiazole-2-sulfonyl Chloride","Acta Crystallographica Section C","1996","52","7","1849","1851","10.1107/S0108270196000017","","","0.71073","MoKα","","","0.036","","","0.036","","","","","2.027","2.027","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005164","33.979","0.007","6.398","0.001","16.999","0.003","90","","71.69","0.03","90","","3508.4","1.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Chromen","3,3-diphenyl-[3H]-naphto[2,1-b]pyrane","","- C25 H18 O -","- C25 H18 O -","- C200 H144 O8 -","8","1","PA1201","Aldoshin, S.; Chuev, I.; Utenyshev, A.; Filipenko, O.; Pozzo, J. L.; Lokshin, V.; Guglielmetti, R.","Specific Structural Features and Photochemical Properties of Three Benzo-Annulated 2,2-Diphenyl[2<i>H</i>]chromenes","Acta Crystallographica Section C","1996","52","7","1834","1838","10.1107/S0108270195016209","","","0.71069","MoKα","","0.0633","0.05","","0.0633","0.05","","","","1.052","1.052","1.052","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005165","12.554","0.008","10.631","0.007","17.393","0.009","90","","106.12","0.02","90","","2230","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Chromen","1,3,3-triphenyl-[3H]-naphto[2,1-b]pyrane","","- C31 H22 O -","- C31 H22 O -","- C124 H88 O4 -","4","1","PA1201","Aldoshin, S.; Chuev, I.; Utenyshev, A.; Filipenko, O.; Pozzo, J. L.; Lokshin, V.; Guglielmetti, R.","Specific Structural Features and Photochemical Properties of Three Benzo-Annulated 2,2-Diphenyl[2<i>H</i>]chromenes","Acta Crystallographica Section C","1996","52","7","1834","1838","10.1107/S0108270195016209","","","0.71069","MoKα","","0.226","0.051","","0.226","0.051","","","","1.16","1.701","1.701","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005166","10.531","0.006","21.637","0.009","8.55","0.007","90","","99.98","0.02","90","","1919","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Chromen","3,3-diphenyl-8,9-pentamethyl-[3H]-furano[3,2-f]chromene or 7,7-diphenyl-[7H]-benzofurano[2,3-g]chromene","","- C27 H18 O2 -","- C27 H18 O2 -","- C108 H72 O8 -","4","1","PA1201","Aldoshin, S.; Chuev, I.; Utenyshev, A.; Filipenko, O.; Pozzo, J. L.; Lokshin, V.; Guglielmetti, R.","Specific Structural Features and Photochemical Properties of Three Benzo-Annulated 2,2-Diphenyl[2<i>H</i>]chromenes","Acta Crystallographica Section C","1996","52","7","1834","1838","10.1107/S0108270195016209","","","1.54178","CuKα","","0.0551","0.0432","","0.0551","0.0432","","","","0.75","0.75","0.75","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005167","6.933","0.002","22.519","0.004","7.408","0.002","90","","94.6","0.03","90","","1152.8","0.5","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","γ-Lactone","methyl 11-oxa-10-oxobicyclo[6.3.0]undec-2-ene-9-carboxylate","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","1","PA1219","Pèpe, G.; Astier, J.-P.; Lamarque, L.; Méou, A.; Brun, P.","γ-Lactones: Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-4-ene-9-carboxylate, Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-2-ene-9-carboxylate and Methyl 9-Oxa-10-oxobicyclo[6.3.0]undecane-11-carboxylate","Acta Crystallographica Section C","1996","52","7","1695","1699","10.1107/S010827019600193X","","","1.5418","CuKα","","0.0479","0.0479","","0.0479","0.0479","","","","0.71","0.71","0.71","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2005168","7.116","0.002","23.074","0.004","7.266","0.002","90","","100.45","0.03","90","","1173.2","0.5","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","γ-Lactone","methyl 11-oxa-10-oxobicyclo[6.3.0]undec-4-ene-9-carboxylate","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","1","PA1219","Pèpe, G.; Astier, J.-P.; Lamarque, L.; Méou, A.; Brun, P.","γ-Lactones: Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-4-ene-9-carboxylate, Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-2-ene-9-carboxylate and Methyl 9-Oxa-10-oxobicyclo[6.3.0]undecane-11-carboxylate","Acta Crystallographica Section C","1996","52","7","1695","1699","10.1107/S010827019600193X","","","1.5418","CuKα","","0.0424","0.0424","","0.0424","0.0424","","","","0.64","0.64","0.64","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2005169","7.147","0.002","23.199","0.004","7.357","0.002","90","","100.5","0.03","90","","1199.4","0.5","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","γ-Lactone","methyl 9-oxa-10-oxobicyclo[6.3.0]undecane-11-carboxylate","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","1","PA1219","Pèpe, G.; Astier, J.-P.; Lamarque, L.; Méou, A.; Brun, P.","γ-Lactones: Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-4-ene-9-carboxylate, Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-2-ene-9-carboxylate and Methyl 9-Oxa-10-oxobicyclo[6.3.0]undecane-11-carboxylate","Acta Crystallographica Section C","1996","52","7","1695","1699","10.1107/S010827019600193X","","","1.5418","CuKα","","0.0442","0.0442","","0.0442","0.0442","","","","0.66","0.66","0.66","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2005170","14.424","0.004","14.424","0.004","9.996","0.006","90","","90","","120","","1801.1","1.3","120","2","120","2","","","","","","","","4","P 61","P 61","169","","","","- C8 H16 N2 O3 -","- C8 H16 N2 O3 -","- C48 H96 N12 O18 -","6","1","PA1220","Görbitz, C. H.; Gundersen, E.","<small>L</small>-Valyl-<small>L</small>-alanine","Acta Crystallographica Section C","1996","52","7","1764","1767","10.1107/S0108270196002302","","","0.71069","MoKα","","0.2111","0.0854","","0.1685","0.1326","","","","0.954","1.257","1.257","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005171","9.562","0.002","5.301","0.001","14.519","0.003","90","","94.2","0.02","90","","734","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-leucine","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","2","PA1221","Görbitz, C. H.; Dalhus, B.","Redetermination of <small>L</small>-Leucine at 120K","Acta Crystallographica Section C","1996","52","7","1754","1756","10.1107/S0108270196002296","","","0.71069","MoKα","","0.0491","0.0435","","0.1044","0.1015","","","","1.086","1.116","1.116","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005172","6.2084","0.0007","13.0294","0.0014","15.0456","0.0011","90","","95.709","0.006","90","","1211","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(Isopropylamino)-4-methyl-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide","","- C10 H14 N4 O2 S -","- C10 H14 N4 O2 S -","- C40 H56 N16 O8 S4 -","4","1","PA1225","Dupont, L.; Pirotte, B.; de Tullio, P.; Delarge, J.","3-Isopropylamino-4-methyl-4<i>H</i>-pyrido[4,3-<i>e</i>][1,2,4]thiadiazine 1,1-Dioxide","Acta Crystallographica Section C","1996","52","7","1741","1743","10.1107/S0108270196001941","","","1.5418","CuKα","","0.0588","0.0465","","0.1519","0.1458","","","","1.072","1.186","1.186","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005173","31.067","0.005","4.717","0.001","9.851","0.002","90","","91.37","0.02","90","","1443.2","0.5","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","DL-Norleucine","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C48 H104 N8 O16 -","8","1","PA1228","Dalhus, B.; Görbitz, C. H.","<small>DL</small>-Norleucine, β Form at 120K","Acta Crystallographica Section C","1996","52","7","1761","1764","10.1107/S0108270196003642","","","0.71069","MoKα","","0.1023","0.0572","","0.121","0.1075","","","","0.914","1.035","1.035","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005174","22.934","0.005","21.728","0.004","11.217","0.002","90","","90","","90","","5589.5","1.9","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6,9-Di(hydroxymethyl)-3',4,11-trimethoxy-5'-[2''-hydroxy-5''- hydroxymethyl-3''-methoxyphenyl]dibenzo[d,f][1,3]dioxepin-2-spiro- 4'-cyclohexa-2',5'-dienone","","- C31 H30 O11 -","- C31 H30 O11 -","- C248 H240 O88 -","8","1","PA1229","Pajunen, A.; Karhunen, P.; Brunow, G.","5'-(2-Hydroxy-5-hydroxymethyl-3-methoxyphenyl)-6,9-bis(hydroxymethyl)-3',4,11-trimethoxydibenzo[<i>d</i>,<i>f</i>][1,3]dioxepine-2-spiro-4'-cyclohexa-2',5'-dienone","Acta Crystallographica Section C","1996","52","7","1815","1817","10.1107/S0108270196003654","","","0.71073","MoKα","","0.0927","0.0547","","0.1379","0.1259","","","","0.861","1.138","1.138","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005175","10.788","0.006","8.748","0.004","8.966","0.004","103.91","0.04","111.14","0.03","103.85","0.05","714.7","0.7","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C12 H44 Co N8 O16 P3 -","- C12 H44 Co N8 O16 P3 -","- C12 H44 Co N8 O16 P3 -","1","1","PT1022","Bacchi, A.; Ferranti, F.; Pelizzi, G.","Conformation and Packing of Cobalt(III) Sepulchrate Dihydrogentriphosphate Hexahydrate","Acta Crystallographica Section C","1996","52","7","1624","1627","10.1107/S0108270196001412","","","0.7107","MoKα","","","0.0278","","","0.038","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005176","11.721","0.003","15.778","0.002","20.879","0.004","90","0.02","90","0.02","90","0.02","3861.2","1.3","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C42 H42 O5 S2 -","- C42 H42 O5 S2 -","- C168 H168 O20 S8 -","4","1","PT1030","Kabaleeswaran, V.; Rajan, S. S.; Kannan, A.; Rajakumar, P.","A New Cyclophane","Acta Crystallographica Section C","1996","52","7","1729","1731","10.1107/S0108270196001400","","","1.5418","CuKα","","0.095","0.07","","0.101","0.077","","","","1.11","1.04","1.04","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005177","7.259","0.001","12.204","0.002","30.275","0.003","90","","90.779","0.009","90","","2681.8","0.6","296","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H3 Cl3 O2 -","- C7 H3 Cl3 O2 -","- C84 H36 Cl36 O24 -","12","3","PT1041","Lalancette, R. A.; Stringer, J. A.; Coté, M. L.","2,4,6-Trichlorobenzoic Acid: Structure and Hydrogen-Bonding Pattern","Acta Crystallographica Section C","1996","52","7","1801","1804","10.1107/S0108270196001369","","","0.71073","MoKα","","","0.045","","","0.047","","","","","1.03","1.03","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005178","13.671","0.003","13.671","0.003","11.4","0.003","90","","90","","120","","1845.2","0.8","223","","223","","","","","","","","","6","P 63","","","","dibromo(tris(diphenylamido)niobium(V)","","- C40 H38 Br2 N3 Nb O -","- C54 H30 Br2 N3 Nb -","- C108 H60 Br4 N6 Nb2 -","2","0.333333","SK1001","Hoffman, D. M.; Rangarajan, S. P.","A Diphenylamido‒Bromide Complex of Niobium: Dibromo[tris(diphenylamido)]niobium(V) Tetrahydrofuran Solvate","Acta Crystallographica Section C","1996","52","7","1616","1618","10.1107/S010827019600087X","","","0.71073","MolybdenumKα","","","0.029","","","0.026","","","","","2.2","2.2","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005179","13.473","0.002","25.444","0.004","16.158","0.004","90","","100.01","0.02","90","","5454.8","1.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","PNP tetrakis(pentafluorphenyl)gallat","Bis(triphenylphosphin)iminium tetrakis(pentafluorphenyl)gallat","","- C60 H30 F20 Ga N P2 -","- C60 H30 F20 Ga N P2 -","- C240 H120 F80 Ga4 N4 P8 -","4","1","SK1002","Tebbe, K.-F.; Gilles, T.; Conrad, F.; Tyrra, W.","Bis(triphenylphosphin)iminium-Tetrakis(pentafluorphenyl)gallat","Acta Crystallographica Section C","1996","52","7","1663","1666","10.1107/S0108270196001321","","","0.71069","MoKα","","0.2127","0.0741","","0.0871","0.0607","","","","0.986","1.218","1.218","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005180","9.808","0.001","11.591","0.002","17.86","0.001","90","","90","","90","","2030.4","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2'-biphenol monohydrate","","- C12 H12 O3 -","- C12 H12 O3 -","- C96 H96 O24 -","8","1","SK1012","Chen, X.-M.; Luo, G.-B.; Tong, M.-L.; Zhou, Z.-Y.","2,2'-Biphenol Monohydrate","Acta Crystallographica Section C","1996","52","7","1727","1729","10.1107/S0108270196002065","","","0.71073","MoKα","","0.0772","0.0474","","0.1422","0.1211","","","","1.022","1.084","1.084","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005181","10.903","0.001","10.903","0.001","14.813","0.002","90","","90","","90","","1760.9","0.3","173","1","173","1","","","","","","","","3","P 41","P 4w","76","","1,2:5,6-di-O-isopropylidene-3-C-ethoxycarbonylmethyl-α-D-allofuranose","","- C16 H26 O7 -","- C16 H26 O7 -","- C64 H104 O28 -","4","1","SX1012","Linden, A.; Lee, C. K.; Siew, K. F.","3-Deoxy-3-<i>C</i>-ethoxycarbonylmethyl-1,2:5,6-di-<i>O</i>-isopropylidene-α-<small>D</small>-allofuranose at 173K","Acta Crystallographica Section C","1996","52","7","1797","1799","10.1107/S0108270196001151","","","0.71069","MoKα","","0.0655","0.0418","","0.0377","0.0353","","","","","1.733","1.733","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005182","11.002","0.004","12.962","0.005","13.643","0.006","103.94","0.03","92.1","0.03","97.31","0.03","1868.4","1.3","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C72 H66 N18 O24 -","6","3","SZ1002","Singh, P.; Izydore, R. A.","1,2-Diacetyl-4-phenyl-1,2,4-triazolidine-3,5-dione","Acta Crystallographica Section C","1996","52","7","1817","1820","10.1107/S0108270196000947","","","0.71073","MoKα","","","0.067","","","0.078","","","","","1.3","1.3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005183","9.811","0.003","12.845","0.002","22.107","0.003","90","","96.65","0.03","90","","2767.2","1","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O3 S -","- C14 H12 N2 O3 S -","- C112 H96 N16 O24 S8 -","8","2","SZ1026","Pomés Hernández, R.; Duque Rodríguez, J.; Novoa de Armas, H.; Toscano, R. A.","Ethyl Cyano(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetate","Acta Crystallographica Section C","1996","52","7","1731","1733","10.1107/S0108270195017227","","","0.71073","MoKα","","","0.06","","","0.114","","","","","1.12","1.12","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005184","9.937","0.004","9.192","0.001","14.417","0.003","90","","90","","90","","1316.9","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-chlorobenzimidazole","","","- C7 H5 Cl N2 -","- C7 H5 Cl N2 -","- C56 H40 Cl8 N16 -","8","1","SZ1041","Panneerselvam, K.; Soriano-García, M.","2-Chlorobenzimidazole","Acta Crystallographica Section C","1996","52","7","1799","1801","10.1107/S0108270195017203","","","1.54178","CuKα","","0.0499","0.0482","","0.1736","0.1515","","","","1.231","1.259","1.259","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005185","6.322","0.001","13.476","0.001","9.115","0.002","90","","106.54","0.01","90","","744.4","0.2","213","1","213","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H11 Br4 N O2 -","- C12 H11 Br4 N O2 -","- C24 H22 Br8 N2 O4 -","2","1","TA1058","Banwell, M. G.; Forman, G. S.; Hockless, D. C. R.","(3a<i>R</i>,3b<i>S</i>,4a<i>R</i>,4b<i>R</i>,5a<i>R</i>,5b<i>S</i>)-4,4,8,8-Tetrabromo-2,2-dimethylperhydrodicyclopropa[<i>e</i>,<i>g</i>][1,3]benzodioxole-3b-carbonitrile","Acta Crystallographica Section C","1996","52","7","1804","1806","10.1107/S0108270195015319","","","1.5418","CuKα","","","0.0272","","","0.0325","","","","","2.798","2.798","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005186","7.623","0.002","9.046","0.002","15.768","0.003","80.06","0.02","86.19","0.02","72.03","0.01","1018.7","0.4","213","1","213","1","","","","","","","","5","P -1","-P 1","2","","","","- C20.5 H24 Br N O6.5 -","- C21.5 H27 Br N O7 -","- C43 H54 Br2 N2 O14 -","2","1","TA1059","Banwell, M. G.; Hockless, D. C. R.; Peters, S. C.","A C(10)-Oxygenated <i>ABC</i>-Ring Analogue of Paclitaxel (Taxol^T^^M^)","Acta Crystallographica Section C","1996","52","7","1832","1834","10.1107/S0108270195015332","","","1.5418","CuKα","","","0.0366","","","0.0461","","","","","2.904","2.904","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005187","5.894","0.002","7.234","0.003","8.307","0.003","90.68","0.03","102.81","0.03","103.45","0.03","335.1","0.2","158","2","158","2","","","","","","","","5","P -1","-P 1","2","5-BAP hydrochloride","2-Amino-5-bromopyrimidinium chloride","","- C4 H5 Br Cl N3 -","- C4 H5 Br Cl N3 -","- C8 H10 Br2 Cl2 N6 -","2","1","TA1066","Prince, B. J.; Turnbull, M. M.","2-Amino-5-bromopyrimidinium Chloride","Acta Crystallographica Section C","1996","52","7","1843","1844","10.1107/S0108270195016751","","","0.71073","MoKα","","0.116","0.063","","0.318","0.1365","","","","1.05","0.998","0.998","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005188","18.749","0.004","8.025","0.002","15.115","0.003","90","","95.84","0.02","90","","2262.4","0.9","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5,8,11,14-tetraoxa-2,17-dithiabicyclo[16.4.1]tricosa- 1(22),18,20-trien-23-one HgCl~2~ complex","","- C17 H24 Cl2 Hg O5 S2 -","- C17 H24 Cl2 Hg O5 S2 -","- C68 H96 Cl8 Hg4 O20 S8 -","4","1","TA1067","Kubo, K.; Mori, A.; Kato, N.; Takeshita, H.","Preferential Coordination of Mercury(II) to Oxygen over Sulfur Atoms in a Tropone-Attached Dithiocrown Ether","Acta Crystallographica Section C","1996","52","7","1656","1658","10.1107/S0108270196002077","","","1.54184","CuKα","","0.0777","0.0635","","0.1909","0.16","","","","1.136","1.119","1.119","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005189","10.387","0.005","17.411","0.007","8.1633","0.0008","90","","90","","90","","1476.3","0.9","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N3 O3 -","- C15 H17 N3 O3 -","- C60 H68 N12 O12 -","4","1","TA1079","Hirayama, N.; Arai, H.; Kasai, M.","Structural Studies of Mitomycins. VII. Mitomycin G","Acta Crystallographica Section C","1996","52","7","1806","1808","10.1107/S0108270196000807","","","1.54184","CuKα","","","0.043","","","0.063","","","","","2.22","2.22","","","","","has coordinates","190560","2020-10-21","18:00:00",""
"2005190","11.641","0.006","12.245","0.008","26.446","0.005","90","","90","","90","","3770","3","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 Cl2 P4 Ru -","- C40 H40 Cl2 P4 Ru -","- C160 H160 Cl8 P16 Ru4 -","4","1","TA1085","Hockless, D. C. R.; Wild, S. B.; McDonagh, A. M.; Whittall, I. R.; Humphrey, M. G.","<i>trans</i>-Dichlorobis[(<i>R</i>,<i>R</i>)-1,2-phenylenebis(methylphenylphosphine-<i>P</i>)]ruthenium(II)","Acta Crystallographica Section C","1996","52","7","1639","1641","10.1107/S0108270196003009","","","0.7107","MoKα","","","0.0251","","","0.019","","","","","1.874","1.874","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005191","10.664","0.003","14.088","0.005","12.494","0.002","90","","110.6","0.1","90","","1757","1.4","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{1-[(2-Hydroxy-4-methylphenyl)iminomethyl]phenyl-2-olato-O,O',N}- piperidinenickel(II)","","- C19 H22 N2 Ni O2 -","- C19 H22 N2 Ni O2 -","- C76 H88 N8 Ni4 O8 -","4","1","AB1328","Atakol, O.; Kenar, A.; Ercan, F.; Sari, M.; Yaugbasan, R.","{4-Methyl-2-[(2-oxidobenzylidene)amino]phenol-ato(2‒)-<i>N</i>,<i>O</i>,<i>O</i>'}(piperidine-<i>N</i>)nickel(II)","Acta Crystallographica Section C","1996","52","8","1881","1884","10.1107/S0108270196003484","","","0.71073","MoKα","","","0.059","","","0.06","","","","","1.54","1.54","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005192","9.179","0.002","11.104","0.003","12.202","0.002","84.08","0.02","83.98","0.01","75.52","0.02","1193.7","0.5","120","2","120","2","","","","","","","","4","P 1","P 1","1","Gly-Leu-Tyr","Glysyl-L-Leucyl-L-Tyrosin 2 H~2~O 2-propanol","","- C20 H37 N3 O8 -","- C20 H37 N3 O8 -","- C40 H74 N6 O16 -","2","2","AB1338","Dalhus, B.; Görbitz, C. H.","Glycyl-<small>L</small>-Leucyl-<small>L</small>-Tyrosine Dihydrate 2-Propanol Solvate","Acta Crystallographica Section C","1996","52","8","2087","2090","10.1107/S0108270196002041","","","0.71069","MoKα","","0.1068","0.0789","","0.2492","0.222","","","","1.076","1.165","1.165","","","","","has coordinates,has disorder","194533","2020-10-21","18:00:00",""
"2005193","9.977","0.002","14.009","0.003","16.462","0.003","90","","91.21","0.03","90","","2300.3","0.8","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bromobis(diethyldithiocarbamato)-4-methoxyphenyltellurium(IV)","","- C17 H27 Br N2 O S4 Te -","- C17 H27 Br N2 O S4 Te -","- C68 H108 Br4 N8 O4 S16 Te4 -","4","1","AB1340","Husebye, S.; Engebretsen, T.; Rudd, M. D.; Lindeman, S. V.","Bromobis(diethyldithiocarbamato)(4-methoxyphenyl)tellurium(IV)","Acta Crystallographica Section C","1996","52","8","2022","2024","10.1107/S010827019600234X","","","0.71069","MoKα","","0.0333","0.0278","","0.088","0.0748","","","","1.028","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005194","5.251","0.004","7.782","0.004","7.592","0.005","90","","101.46","0.06","90","","304","0.3","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","sodium hydrogen L-tartrate","","- C4 H5 Na O6 -","- C4 H5 Na O6 -","- C8 H10 Na2 O12 -","2","1","AB1342","Matsumoto, S.; Kashino, S.","Sodium Hydrogen <small>L</small>-Tartrate","Acta Crystallographica Section C","1996","52","8","1948","1950","10.1107/S0108270196005288","","","0.71073","MoKα","","","0.026","","","0.033","","","","","2.18","2.18","","","","","has coordinates,has disorder","248647","2020-10-21","18:00:00",""
"2005195","8.959","0.003","13.677","0.008","9.777","0.003","90","","108.78","0.02","90","","1134.2","0.9","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H12 Br2 O2 Pt S2 -","- C4 Br2 O2 Pt S2 -","- C16 Br8 O8 Pt4 S8 -","4","1","AB1349","Lövqvist, K.","<i>cis</i>-Dibromobis(dimethyl sulfoxide-<i>S</i>)platinum(II) and <i>trans</i>-Bis(dimethyl sulfoxide-<i>S</i>)diiodoplatinum(II)","Acta Crystallographica Section C","1996","52","8","1921","1924","10.1107/S0108270196003824","","","0.7107","MoKα","","","0.0324","","","0.0413","","","","","1.713","1.713","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005196","5.2789","0.0009","7.089","0.002","8.709","0.003","110.42","0.02","94.5","0.02","93.48","0.02","303.13","0.15","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C4 H12 I2 O2 Pt S2 -","- C4 I2 O2 Pt S2 -","- C4 I2 O2 Pt S2 -","1","0.5","AB1349","Lövqvist, K.","<i>cis</i>-Dibromobis(dimethyl sulfoxide-<i>S</i>)platinum(II) and <i>trans</i>-Bis(dimethyl sulfoxide-<i>S</i>)diiodoplatinum(II)","Acta Crystallographica Section C","1996","52","8","1921","1924","10.1107/S0108270196003824","","","0.7107","MoKα","","","0.0471","","","0.0568","","","","","2.67","2.67","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005197","10.068","0.001","21.731","0.002","11.293","0.001","90","","98.26","0.01","90","","2445.1","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Br2 Cl Fe N2 O2 -","- C26 H18 Br2 Cl Fe N2 O2 -","- C104 H72 Br8 Cl4 Fe4 N8 O8 -","4","1","AB1355","Elerman, Y.; Paulus, H.","A Five-Coordinate Bis(<i>p</i>-bromophenylsalicylaldimino)chloroiron(III) Complex","Acta Crystallographica Section C","1996","52","8","1971","1973","10.1107/S0108270196005422","","","0.71069","MoKα","","0.049","0.035","","0.08","0.075","","","","1.049","1.09","1.09","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005198","6.177","0.0007","9.747","0.001","23.236","0.002","86.94","0.01","89.599","0.009","77.619","0.009","1364.5","0.2","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","N,N'-Bis[trans-2-phenyl-5-triphenylstannylmethoxymethyl-1,3-dioxan-5-yl]- ethanediamide.","","- C62 H60 N2 O8 Sn2 -","- C62 H60 N2 O8 Sn2 -","- C62 H60 N2 O8 Sn2 -","1","0.5","AB1356","Ross, J.-N.; Wardell, J. L.; Low, J. N.; Ferguson, G.","<i>N</i>,<i>N</i>'-Bis[<i>trans</i>-2-phenyl-5-(triphenylstannylmethoxymethyl)-1,3-dioxan-5-yl]ethanediamide","Acta Crystallographica Section C","1996","52","8","1961","1963","10.1107/S010827019600203X","","","0.7107","MoKα","","0.0384","0.0268","","0.0691","0.0657","","","","1.049","1.091","1.091","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005199","9.9456","0.0009","21.011","0.001","14.179","0.001","90","","90","","90","","2962.9","0.4","122","1","122","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-cyano-3-phenylazo-2-butenal carbazidoethylester-imin","","- C14 H15 N5 O2 -","- C14 H15 N5 O2 -","- C112 H120 N40 O16 -","8","1","AB1357","Flensburg, C.; Jensen, J.; Larsen, S.; Dehaen, W.","Ethyl 3-(2-Cyano-3-phenylazo-2-butenylidene)carbazoate at 122K","Acta Crystallographica Section C","1996","52","8","2093","2095","10.1107/S0108270196003095","","","1.54184","CuKα","","0.0501","0.035","","0.0829","0.0763","","","","1.014","1.051","1.051","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005200","8.783","0.001","11.679","0.001","13.194","0.002","81.14","0.01","71.85","0.01","85.672","0.008","1270.2","0.3","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","Furan-2,5-diylbis(diphenylmethanol)-dimethylformamide (2/1)","","- C31.5 H27.5 N0.5 O3.5 -","- C31.5 H27.5 N0.5 O3.5 -","- C63 H55 N O7 -","2","1","AB1360","Ferguson, G.; Glidewell, C.; Zakaria, C. M.","Host‒Guest Complexes of Furan-2,5-diylbis(diphenylmethanol): Structures of the 2:1 Adducts with Dimethylformamide, Dimethyl Sulfoxide and Pyridine","Acta Crystallographica Section C","1996","52","8","2009","2014","10.1107/S0108270196003101","","","0.7107","MolybdenumKα","","0.1348","0.0585","","0.1971","0.1695","","","","0.876","1.148","1.148","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005201","8.802","0.003","11.707","0.003","13.162","0.004","80.17","0.01","72.07","0.01","84.19","0.01","1269.7","0.7","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","Furan-2,5-diylbis(diphenylmethanol)-dimethylfsulfoxide (2/1)","","- C31 H27 O3.5 S0.5 -","- C31 H27 O3.5 S0.5 -","- C62 H54 O7 S -","2","1","AB1360","Ferguson, G.; Glidewell, C.; Zakaria, C. M.","Host‒Guest Complexes of Furan-2,5-diylbis(diphenylmethanol): Structures of the 2:1 Adducts with Dimethylformamide, Dimethyl Sulfoxide and Pyridine","Acta Crystallographica Section C","1996","52","8","2009","2014","10.1107/S0108270196003101","","","0.7107","MolybdenumKα","","0.0881","0.0426","","0.1093","0.0982","","","","0.999","1.203","1.203","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005202","8.979","0.001","11.814","0.003","13.329","0.003","96.55","0.02","109.47","0.02","102.4","0.02","1275.2","0.5","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","Furan-2,5-diylbis(diphenylmethanol)-pyridine (2/1)","","- C32.5 H26.5 N0.5 O3 -","- C32.5 H26.5 N0.5 O3 -","- C65 H53 N O6 -","2","1","AB1360","Ferguson, G.; Glidewell, C.; Zakaria, C. M.","Host‒Guest Complexes of Furan-2,5-diylbis(diphenylmethanol): Structures of the 2:1 Adducts with Dimethylformamide, Dimethyl Sulfoxide and Pyridine","Acta Crystallographica Section C","1996","52","8","2009","2014","10.1107/S0108270196003101","","","0.7107","MolybdenumKα","","0.1521","0.0412","","0.1278","0.1059","","","","0.879","1.219","1.219","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005203","9.685","0.0006","6.798","0.0007","15.183","0.001","90","","90","","90","","999.63","0.14","294","1","294","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","6-acetylamino-4-methoxy-2-methylthiopyrimidine","","- C8 H11 N3 O2 S -","- C8 H10 N3 O2 S -","- C32 H40 N12 O8 S4 -","4","0.5","AB1363","Low, J. N.; Ferguson, G.; Cobo, J.; Melguizo, M.; Nogueras, M.; Sanchez, A.","6-Acetamido-4-methoxy-2-methylthiopyrimidine","Acta Crystallographica Section C","1996","52","8","2035","2037","10.1107/S0108270196003423","","","0.7107","MoKα","","0.0852","0.0367","","0.1088","0.0984","","","","0.996","1.195","1.195","","","","","has coordinates,has disorder","200174","2020-10-21","18:00:00",""
"2005204","8.536","0.001","11.805","0.002","14.672","0.002","91.43","0.01","105.97","0.01","93.79","0.01","1416.9","0.4","294","1","294","1","","","","","","","","3","P -1","-P 1","2","5,17-Dicarbethoxy-25,26,27,28-tetrahydroxycalix[4]arene","5,17-diethyloxycarbonylpentacyclo[19.3.1.1^3,7^.1^9,13^.1^15,19^]octacosa- 1(25),3,5,7(18),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetraol","","- C34 H32 O8 -","- C34 H32 O8 -","- C68 H64 O16 -","2","1","AB1366","Böhmer, V.; Ferguson, G.; Mogck, O.","5,17-Diethoxycarbonyl-25,26,27,28-tetrahydroxycalix[4]arene","Acta Crystallographica Section C","1996","52","8","2000","2002","10.1107/S0108270196003496","","","0.7107","MolybdenumKα","","0.0861","0.0464","","0.1385","0.1267","","","","1.068","1.28","1.28","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005205","20.733","0.002","35.97","0.003","14.66","0.001","90","","90","","90","","10932.9","1.6","160","2","160","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C28 H38 B2 O6 -","- C28 H38 B2 O6 -","- C448 H608 B32 O96 -","16","1","AB1368","Clegg, W.; Scott, A. J.; Lesley, G.; Marder, T. B.; Norman, N. C.","The Product of Catalysed Diboration of Bis(4-methoxyphenyl)ethyne by Bis(pinacolato-<i>O</i>,<i>O</i>')diboron","Acta Crystallographica Section C","1996","52","8","1989","1991","10.1107/S0108270196003836","","","0.71073","MoKα","","0.0353","0.0304","","0.0771","0.0726","","","","1.051","1.036","1.036","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005206","12.556","0.006","14.408","0.007","14.996","0.008","90","","91.56","0.02","90","","2712","2","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(N-2,6-Diisopropylphenyl-N-trimethylsilyl)amido-N](pyridine-N)- (Diethyl ether-O)lithium","","- C24 H41 Li N2 O Si -","- C24 H41 Li N2 O Si -","- C96 H164 Li4 N8 O4 Si4 -","4","1","AB1370","Blake, A. J.; Mountford, P.; Nikonov, G. I.","(Diethyl ether-<i>O</i>)[<i>N</i>-(2,6-diisopropylphenyl)-<i>N</i>-(trimethylsilyl)amido-<i>N</i>](pyridine-<i>N</i>)lithium","Acta Crystallographica Section C","1996","52","8","1911","1913","10.1107/S010827019600409X","","","0.71073","MoKα","","","0.0749","","","0.0655","","","","","1.0673","1.0673","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2005207","10.0809","0.0009","12.1757","0.0009","19.115","0.001","90","","91.443","0.009","90","","2345.5","0.3","294","1","294","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Tetrabenzylgermanium","","- C28 H28 Ge -","- C28 H28 Ge -","- C112 H112 Ge4 -","4","1","AB1377","Ferguson, G.; Glidewell, C.","Tetrabenzylgermanium","Acta Crystallographica Section C","1996","52","8","1889","1891","10.1107/S0108270196004878","","","0.7107","MoKα","","0.1731","0.0564","","0.1171","0.0967","","","","0.828","1.12","1.12","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005208","7.571","0.001","7.161","0.0007","16.535","0.002","90","","91.81","0.01","90","","896.01","0.18","111","2","111","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Ethyl-3-(3-pyridyl)isoxazolin-5-one","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C40 H40 N8 O8 -","4","1","AB1380","Frydenvang, K.; Brehm, L.; di Biase, R.; Falch, E.","2-Ethyl-3-(3-pyridyl)-5(2<i>H</i>)-isoxazolone","Acta Crystallographica Section C","1996","52","8","2102","2105","10.1107/S0108270196006142","","","1.54184","CuKα","","0.0454","0.0371","","0.1065","0.0971","","","","1.071","1.101","1.101","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005209","9.5156","0.0009","22.206","0.002","11.619","0.001","90","","108.059","0.002","90","","2334.2","0.4","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-1,2-bis(benzo-1',3',2'-dioxaborolan-2'-yl)-1,2-bis(4'-methylphenyl)ethene","","- C28 H22 B2 O4 -","- C28 H22 B2 O4 -","- C112 H88 B8 O16 -","4","1","AB1383","Clegg, W.; Scott, A. J.; Lesley, G.; Marder, T. B.; Norman, N. C.","The Products of Catalysed Diboration of Bis(<i>p</i>-tolyl)ethyne and of 4-Cyanophenylethyne by Bis(catecholato-<i>O</i>,<i>O</i>')diboron","Acta Crystallographica Section C","1996","52","8","1991","1995","10.1107/S0108270196006622","","","0.71073","MoKα","","0.0487","0.0385","","0.0999","0.0902","","","","1.07","1.062","1.062","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005210","16.253","0.001","13.023","0.001","8.5856","0.0008","90","","104.92","0.002","90","","1756","0.2","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-1,2-bis(benzo-1',3',2'-dioxaborolan-2'-yl)-1-(4'-cyanophenyl)ethene","","- C21 H13 B2 N O4 -","- C21 H13 B2 N O4 -","- C84 H52 B8 N4 O16 -","4","1","AB1383","Clegg, W.; Scott, A. J.; Lesley, G.; Marder, T. B.; Norman, N. C.","The Products of Catalysed Diboration of Bis(<i>p</i>-tolyl)ethyne and of 4-Cyanophenylethyne by Bis(catecholato-<i>O</i>,<i>O</i>')diboron","Acta Crystallographica Section C","1996","52","8","1991","1995","10.1107/S0108270196006622","","","0.71073","MoKα","","0.0416","0.0354","","0.0963","0.0882","","","","1.031","1.032","1.032","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005211","14.062","0.004","12.046","0.002","11.697","0.002","90","","102.63","0.02","90","","1933.4","0.7","291","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N3 O5 -","- C21 H17 N3 O5 -","- C84 H68 N12 O20 -","4","1","BK1124","Barrett, D. M. Y.; Kahwa, I. A.; Williams, D. J.","Formylation <i>versus</i> Alkylation of Secondary Amines in DMF","Acta Crystallographica Section C","1996","52","8","2069","2071","10.1107/S010827019600056X","","","1.54178","CuKα","","","0.0464","","","0.0539","","","","","2.47","2.47","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005212","5.534","0.002","12.759","0.002","5.74","0.002","90","","104.77","0.02","90","","391.9","0.2","296","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C3 H8 Ca N O7 P -","- C3 H8 Ca N O7 P -","- C6 H16 Ca2 N2 O14 P2 -","2","1","BK1190","Suga, T.; Okabe, N.","Aqua(<small>L</small>-<i>O</i>-serine phosphato)calcium(II)","Acta Crystallographica Section C","1996","52","8","1894","1896","10.1107/S0108270196002648","","","0.71069","MoKα","","","0.024","","","0.029","","","","","1.22","1.22","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005213","7.08","0.002","10.007","0.001","16.482","0.002","90","","90.3","0.02","90","","1167.7","0.4","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-chloro-bis[chloro(2-(N-propylaminomethyl)pyridine)copper(II)]","","- C18 H28 Cl4 Cu2 N4 -","- C18 H28 Cl4 Cu2 N4 -","- C36 H56 Cl8 Cu4 N8 -","2","0.5","BK1213","Wahnon, D.; Keith, C.; Chin, J.; Hynes, R. C.","Di-μ-chloro-bis{chloro[2-(<i>N</i>-propylaminomethyl)pyridine-<i>N</i>,<i>N</i>']copper(II)}","Acta Crystallographica Section C","1996","52","8","1877","1879","10.1107/S0108270196003459","","","0.7107","MolybdenumKα","","0.05","0.032","","0.032","0.031","","","","","1.55","1.55","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005214","8.439","0.001","16.864","0.002","11.01","0.001","90","","109.56","0.01","90","","1476.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(μ-thiosulphato-S,O)-bis(dimethylphenanthrolyne cadmium(II))","","- C28 H24 Cd2 N4 O6 S4 -","- C28 H24 Cd2 N4 O6 S4 -","- C56 H48 Cd4 N8 O12 S8 -","2","0.5","BK1214","Baggio, R.; Baggio, S.; Pardo, M. I.; Garland, M. T.","Bis(μ-thiosulfato)-1κ<i>O</i>,1:2κ^2^<i>S</i>;2κ<i>O</i>,1:2κ^2^<i>S</i>-bis[(2,9-dimethyl-1,10-phenanthroline-<i>N</i>,<i>N</i>')cadmium(II)]","Acta Crystallographica Section C","1996","52","8","1939","1942","10.1107/S0108270196003502","","","0.71073","MoKα","","0.0311","0.0252","","0.0638","0.0591","","","","1.056","1.067","1.067","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2005215","9.003","0.003","8.896","0.005","24.832","0.004","90","","94.29","0.03","90","","1983.2","1.3","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","calcium o-tolidine-6,6'-disulfonate tetrahydrate","","- C14 H22 Ca N2 O10 S2 -","- C14 H22 Ca N2 O10 S2 -","- C56 H88 Ca4 N8 O40 S8 -","4","1","BK1220","Gunderman, B. J.; Squattrito, P. J.","Two Calcium Salts of <i>o</i>-Tolidine-6,6'-disulfonate","Acta Crystallographica Section C","1996","52","8","1896","1901","10.1107/S0108270196004957","","","0.7107","MoKα","","0.078","0.036","","0.068","0.037","","","","","1.87","1.87","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005216","13.163","0.007","16.122","0.007","11.814","0.005","93.23","0.04","112.97","0.04","106.5","0.04","2173","2","296","","296","","","","","","","","","6","P -1","-P 1","2","","calcium o-tolidine-6,6'-disulfonate dodecahydrate","","- C28 H54 Ca N4 O24 S4 -","- C28 H44 Ca N4 O24 S4 -","- C56 H88 Ca2 N8 O48 S8 -","2","1","BK1220","Gunderman, B. J.; Squattrito, P. J.","Two Calcium Salts of <i>o</i>-Tolidine-6,6'-disulfonate","Acta Crystallographica Section C","1996","52","8","1896","1901","10.1107/S0108270196004957","","","0.7107","MoKα","","0.16","0.049","","0.062","0.05","","","","","1.87","1.87","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005217","15.754","0.001","19.29","0.001","13.205","0.001","90","","92.1","0.01","90","","4010.2","0.4","296","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N5 O3 -","- C21 H22 N5 O3 -","- C168 H176 N40 O24 -","8","2","BM1044","Das, A. K.; Dutta, M.; Mazumdar, S. K.; Mazumdar, B.; Mukhopadhyay, A.; Talapatra, S. K.","9-Benzyl-7-[(<i>E</i>)-2-butenyl]-2,3-dihydro-6-hydroxy-1,3-dimethylpyrimido[2,1-<i>f</i>]purine-4,8(1<i>H</i>,9<i>H</i>)-dione","Acta Crystallographica Section C","1996","52","8","2076","2078","10.1107/S0108270196002946","","","1.54184","CuKα","","","0.056","","","0.062","","","","","1.98","1.98","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005218","32.41","0.01","32.41","0.01","6.056","0.003","90","","90","","90","","6361","4","298","","","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C14 H17.5 Cl N4 O1.25 S -","- C14 H17.5 Cl N4 O1.25 S -","- C224 H280 Cl16 N64 O20 S16 -","16","1","BM1047","Kovala-Demertzi, D.; Varagi, V.; Demertzis, M. A.; Raptopoulou, C. P.; Terzis, A.","2-Acetylpyridinium 4<i>N</i>-Phenylthiosemicarbazone Chloride 1.25-Hydrate","Acta Crystallographica Section C","1996","52","8","2027","2029","10.1107/S010827019600176X","","","0.7107","MoKα","","","0.0351","","","0.035","","","","","2.35","2.35","","","","","has coordinates","190703","2020-10-21","18:00:00",""
"2005219","10.214","0.001","9.361","0.002","19.097","0.002","90","","99.34","0.04","90","","1801.7","0.5","295","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 Ni O S -","- C21 H20 N2 Ni O S -","- C84 H80 N8 Ni4 O4 S4 -","4","1","BM1064","Ülkü, D.; Tahir, M. N.; Üçar, G.; Atakol, O.","(Pyrrolidine-<i>N</i>)[1-(2-thiophenyliminomethyl)-2-naphtholato(2‒)-<i>N</i>,<i>O</i>,<i>S</i>]nickel(II)","Acta Crystallographica Section C","1996","52","8","1884","1885","10.1107/S0108270196003848","","","0.71069","MoKα","","","0.039","","","0.039","","","","","1.3","1.3","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005220","12.893","0.004","6.215","0.002","18.8","0.008","90","","95.06","0.03","90","","1500.6","0.9","150","","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Cholesteryl p-Toluenesulfonate","","- C34 H52 O3 S -","- C34 H52 O3 S -","- C68 H104 O6 S2 -","2","1","BM1066","Cox, P. J.; Buchanan, H. J.; Wardell, J. L.","Redetermination of Cholesteryl <i>p</i>-Toluenesulfonate at 150K","Acta Crystallographica Section C","1996","52","8","2111","2113","10.1107/S0108270196003150","","","0.71073","MoKα","","0.0981","0.0494","","0.1066","0.096","","","","0.659","0.888","0.888","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005221","11.851","0.006","15.298","0.009","27.35","0.02","90","","90","","90","","4958","5","303","2","303","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","N-p-Tolyl-2-chloro-5-p-tolouylamino-4-p-tolylamino-6-pyrimidinecarboxyamide","N-p-Tolyl-2-chloro-5-p-tolouylamino-4-p-tolylamino-6-pyrimidinecarboxyamide","","- C27 H24 Cl N5 O2 -","- C27 H24 Cl N5 O2 -","- C216 H192 Cl8 N40 O16 -","8","1","BM1069","Mazurek, J.; Lis, T.; Jasztold-Howorko, R.","Orthorhombic and Triclinic Forms of 2-Chloro-5-<i>p</i>-toluoylamino-<i>N</i>-<i>p</i>-tolyl-4-<i>p</i>-tolylamino-6-pyrimidinecarboxamide and 2-Chloro-5-(<i>p</i>-chlorobenzoylamino)-<i>N</i>-<i>p</i>-tolyl-4-<i>p</i>-tolylamino-6-pyrimidinecarboxamide","Acta Crystallographica Section C","1996","52","8","2106","2111","10.1107/S0108270196005616","","","1.5418","CuKα","","0.0425","0.0425","","0.1161","0.1161","","","","1.039","1.039","1.039","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005222","7.375","0.002","11.888","0.006","14.103","0.006","101.34","0.04","94.75","0.03","91.2","0.03","1207.3","0.9","298","2","293","2","","","","","","","","5","P -1","-P 1","2","N-p-Tolyl-2-chloro-5-p-toluylamino-4-p-tolylamino-6-pyrimidinecarboxyamide","N-p-Tolyl-2-chloro-5-p-toluylamino-4-p-tolylamino-6-pyrimidinecarboxyamide","","- C27 H24 Cl N5 O2 -","- C27 H24 Cl N5 O2 -","- C54 H48 Cl2 N10 O4 -","2","1","BM1069","Mazurek, J.; Lis, T.; Jasztold-Howorko, R.","Orthorhombic and Triclinic Forms of 2-Chloro-5-<i>p</i>-toluoylamino-<i>N</i>-<i>p</i>-tolyl-4-<i>p</i>-tolylamino-6-pyrimidinecarboxamide and 2-Chloro-5-(<i>p</i>-chlorobenzoylamino)-<i>N</i>-<i>p</i>-tolyl-4-<i>p</i>-tolylamino-6-pyrimidinecarboxamide","Acta Crystallographica Section C","1996","52","8","2106","2111","10.1107/S0108270196005616","","","1.5418","CuKα","","0.0393","0.0393","","0.1083","0.1083","","","","1.048","1.048","1.048","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005223","7.411","0.002","11.784","0.002","13.989","0.004","101.61","0.02","94.29","0.02","92.15","0.02","1191.6","0.5","294","1","294","1","","","","","","","","5","P -1","-P 1","2","N-p-Tolyl-2-chloro-5-(p-chloro)-benzoylamino-4-p-tolylamino- 6-pyrimidinecarboxyamide","N-p-Tolyl-2-chloro-5-(p-chloro)-benzoylamino-4-p-tolylamino- 6-pyrimidinecarboxyamide","","- C26 H21 Cl2 N5 O2 -","- C26 H21 Cl2 N5 O2 -","- C52 H42 Cl4 N10 O4 -","2","1","BM1069","Mazurek, J.; Lis, T.; Jasztold-Howorko, R.","Orthorhombic and Triclinic Forms of 2-Chloro-5-<i>p</i>-toluoylamino-<i>N</i>-<i>p</i>-tolyl-4-<i>p</i>-tolylamino-6-pyrimidinecarboxamide and 2-Chloro-5-(<i>p</i>-chlorobenzoylamino)-<i>N</i>-<i>p</i>-tolyl-4-<i>p</i>-tolylamino-6-pyrimidinecarboxamide","Acta Crystallographica Section C","1996","52","8","2106","2111","10.1107/S0108270196005616","","","1.5418","CuKα","","0.0504","0.046","","0.1232","0.1188","","","","1.068","1.07","1.07","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005224","6.594","0.001","10.763","0.002","11.649","0.002","90","","105.36","0.01","90","","797.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-Di-mu-chloro-dichlorobis(trimethylphosphine)diplatinum(II)","","- C6 H18 Cl4 P2 Pt2 -","- C6 H18 Cl4 P2 Pt2 -","- C12 H36 Cl8 P4 Pt4 -","2","0.5","BM1079","Boag, N. M.; Ravetz, M. S.","<i>trans</i>-Di-μ-chloro-bis[chloro(trimethylphosphine-<i>P</i>)platinum(II)]","Acta Crystallographica Section C","1996","52","8","1942","1943","10.1107/S0108270196004301","","","0.71073","MoKα","","0.0629","0.0426","","0.1131","0.1014","","","","1.032","1.063","1.063","","","","","has coordinates","196234","2020-10-21","18:00:00",""
"2005225","4.655","0.002","8.565","0.003","9.103","0.003","90","","97.8","0.01","90","","359.6","0.2","298","","298","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Lithium dicobalt tripolyphosphate","","- Co2 Li O10 P3 -","- Co2 Li O10 P3 -","- Co4 Li2 O20 P6 -","2","0.5","BR1124","Erragh, F.; Boukhari, A.; Holt, E. M.","Lithium Dicobalt Tripolyphosphate and Lithium Dinickel Tripolyphosphate","Acta Crystallographica Section C","1996","52","8","1867","1869","10.1107/S010827019501643X","","","0.71073","MoKα","","","0.034","","","0.046","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005226","4.576","0.001","8.356","0.001","8.921","0.001","90","","98.08","0.01","90","","337.73","0.09","298","","298","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Lithium dinickel tripolyphosphate","","- Li Ni2 O10 P3 -","- Li Ni2 O10 P3 -","- Li2 Ni4 O20 P6 -","2","0.5","BR1124","Erragh, F.; Boukhari, A.; Holt, E. M.","Lithium Dicobalt Tripolyphosphate and Lithium Dinickel Tripolyphosphate","Acta Crystallographica Section C","1996","52","8","1867","1869","10.1107/S010827019501643X","","","0.71073","MoKα","","","0.052","","","0.063","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005227","9.473","0.004","7.802","0.003","6.755","0.002","78.14","0.02","75.58","0.02","77.21","0.02","465.5","0.3","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cl3 H2 O13 Yb -","- Cl3 H2 O13 Yb -","- Cl6 H4 O26 Yb2 -","2","1","BR1135","Belin, C.; Favier, F.; Pascal, J. L.; Tillard-Charbonnel, M.","Triperchloratoytterbium(III) Monohydrate, Yb(ClO~4~)~3~.H~2~O","Acta Crystallographica Section C","1996","52","8","1872","1874","10.1107/S0108270196001709","","","0.71073","MoKα","","","0.0313","","","0.0389","","","","","0.84","0.84","","","","","has coordinates","199744","2020-10-21","18:00:00",""
"2005228","8.348","0.002","10.326","0.002","9.929","0.002","90","","97.06","0.02","90","","849.4","0.3","294","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ammonium Uranyl Hydrogenselenite Selenite","","","- H5 N O8 Se2 U -","- N O8 Se2 U -","- N4 O32 Se8 U4 -","4","1","BR1138","Koskenlinna, M.; Valkonen, J.","Ammonium Uranyl Hydrogenselenite Selenite","Acta Crystallographica Section C","1996","52","8","1857","1859","10.1107/S0108270196002053","","","0.71073","Mo_Kα","","","0.028","","","0.032","","","","","0.503","0.503","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005229","7.947","0.002","11.949","0.003","7.749","0.002","106.19","0.02","96.79","0.02","84.7","0.02","700.3","0.3","293","","293","","","","","","","","","3","P -1","-P 1","2","tetraline","1-hydroxy-1-propynyl-2,2-spiro-(1-cyclohex-2 -ene-1-one)-1(2H)-tetraline","","- C18 H18 O2 -","- C18 H18 O2 -","- C36 H36 O4 -","2","1","CF1014","Kabaleeswaran, V.; Rajan, S. S.; Janarthanam, S.; Rajagopalan, K.","A Tetralin Derivative","Acta Crystallographica Section C","1996","52","8","1983","1985","10.1107/S0108270195009711","","","1.5418","CuKα","","0.052","0.039","","0.06","0.046","","","","0.958","0.888","0.888","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2005230","11.212","0.002","8.43","0.0008","19.384","0.002","90","","90.81","0.01","90","","1831.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","rel-(1R,4R,7S,10R)-7-tert.-butyl-dimethyl-silyloxy- tetracyclo[5.4.1.0^4,12^.0^10,12^]dodecan-2-one","","- C18 H30 O2 Si -","- C18 H30 O2 Si -","- C72 H120 O8 Si4 -","4","1","CF1072","Thommen, M.; Keese, R.; Förtsch, M.","A <i>cis</i>,<i>trans</i>,<i>cis</i>,<i>cis</i>-[4.5.5.5]Fenestrane Derivative","Acta Crystallographica Section C","1996","52","8","2051","2053","10.1107/S0108270196002120","","","0.71069","MoKα","","0.0718","0.0421","","0.1246","0.1071","","","","1.062","1.094","1.094","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005231","8.814","0.001","10.329","0.002","13.248","0.005","74.19","0.03","88.31","0.02","85.65","0.02","1157.1","0.5","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H26 Cl2 N4 O3 -","- C23 H26 Cl2 N4 O3 -","- C46 H52 Cl4 N8 O6 -","2","2","CF1077","Bolte, M.","Nearly Centrosymmetric (<i>S</i>)-7-(2,6-Dichlorobenzyl)-8-(3-oxocyclopentyl)-1,3-dipropyl-7<i>H</i>-purine-2,6-dione","Acta Crystallographica Section C","1996","52","8","1985","1987","10.1107/S0108270196002570","","","1.5418","CuKα","","0.0639","0.0627","","0.2054","0.193","","","","1.128","1.121","1.121","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005232","10.58","0.001","13.784","0.003","15.218","0.003","66.59","0.01","86.91","0.03","75.93","0.01","1973.3","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3,6-diaza-4,5-diethoxy-9,9-dimethyl-10-hydroxy-10-isopropyl-9,10- dihydroanthracene","","- C21 H28 N2 O3 -","- C21 H28 N2 O3 -","- C84 H112 N8 O12 -","4","2","CF1097","Ianelli, S.; Nardelli, M.; Belletti, D.; Pasquier, K.; Caubère, P.","Unusual Hetarynic Condensation of 3-Bromo-2-ethoxypyridine with Diisopropyl Ketone Enolate in the Presence of a Complex Base","Acta Crystallographica Section C","1996","52","8","2097","2100","10.1107/S010827019600501X","","","0.71073","MoKα","","","0.0527","","0.1067","0.0643","","","","0.965","1.524","1.524","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005233","7.6314","0.0006","10.452","0.002","11.229","0.001","90","","90","","90","","895.7","0.2","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Cyanoferrocene","","- C11 H9 Fe N -","- C11 H9 Fe N -","- C44 H36 Fe4 N4 -","4","1","CF1114","Bell, W.; Ferguson, G.; Glidewell, C.","Cyanoferrocene: a Two-Dimensional Network Generated by Short C—H···N Hydrogen Bonds","Acta Crystallographica Section C","1996","52","8","1928","1930","10.1107/S0108270196006233","","","0.7107","MoKα","","0.0554","0.0375","","0.1039","0.0978","","","","0.934","1.015","1.015","","","","","has coordinates","192285","2020-10-21","18:00:00",""
"2005234","4.029","0.001","11.125","0.002","11.775","0.001","97.339","0.009","99.948","0.009","90.04","0.01","515.45","0.16","300","","","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H7 Br O3 -","- C11 H7 Br O3 -","- C22 H14 Br2 O6 -","2","1","CR1164","Kokila, M. K.; Puttaraja; Kulkarni, M. V.; Shivaprakash, N. C.","3-Acetyl-6-bromocoumarin","Acta Crystallographica Section C","1996","52","8","2078","2081","10.1107/S0108270195010493","","","0.7093","MoKα","","","0.067","","","0.067","","","","","1.298","1.298","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005235","11.9292","0.0005","8.8839","0.0005","14.214","0.001","90","","105.089","0.004","90","","1454.43","0.15","295","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 O3 -","- C19 H14 O3 -","- C76 H56 O12 -","4","1","CR1187","Goeta, A. E.; Punte, G.; Jios, J. L.; Autino, J. C.","2-Acetylphenyl 1-Naphthoate","Acta Crystallographica Section C","1996","52","8","2045","2047","10.1107/S0108270196001266","","","0.71073","MoKα","","","0.0342","","","0.0411","","","","","1.15","1.15","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005236","7.1551","0.0007","13.528","0.001","9.9826","0.0009","90","","90.748","0.008","90","","966.18","0.15","183","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N4 O8 -","- C18 H22 N4 O8 -","- C36 H44 N8 O16 -","2","1","CR1202","Freeman, F.; Scheuerman, R. A.; Ziller, J. W.","1-(4-Amino-6-methyl[1,3]oxazolo[5,4-<i>d</i>]pyrimidin-2-yl)-1-deoxy-<small>D</small>-ribose 5-Benzoate Dihydrate","Acta Crystallographica Section C","1996","52","8","2006","2008","10.1107/S0108270196001242","","","0.71073","MoKα","","","0.048","","","0.062","","","","","1.95","1.95","","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2005237","7.101","0.002","12.521","0.003","8.877","0.002","90","","110.6","0.03","90","","738.8","0.4","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 Br2 Cu N4 -","- C10 H24 Br2 Cu N4 -","- C20 H48 Br4 Cu2 N8 -","2","0.5","CR1206","Chen, X.; Long, G.; Willett, R. D.; Hawks, T.; Molnar, S.; Brewer, K.","Three Metal (1,4,8,11-Tetraazacyclotetradecane) Halide Salts","Acta Crystallographica Section C","1996","52","8","1924","1928","10.1107/S0108270195016829","","","0.71073","MoKα","","","0.057","","","0.053","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005238","9.892","0.002","6.508","0.002","16.648","0.003","90","","107.16","0.03","90","","1024","0.5","295","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H36 Cl2 Mn0.66 N4 Ni0.34 O6 -","- C10 H36 Cl2 Mn0.66 N4 Ni0.34 O6 -","- C20 H72 Cl4 Mn1.32 N8 Ni0.68 O12 -","2","0.5","CR1206","Chen, X.; Long, G.; Willett, R. D.; Hawks, T.; Molnar, S.; Brewer, K.","Three Metal (1,4,8,11-Tetraazacyclotetradecane) Halide Salts","Acta Crystallographica Section C","1996","52","8","1924","1928","10.1107/S0108270195016829","","","0.71073","MoKα","","","0.077","","","0.13","","","","","1.2","1.2","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2005239","6.415","0.002","7.427","0.002","21.074","0.004","90","","90.99","0.03","90","","1003.9","0.5","295","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H35 Cl2.5 Co0.5 Mn0.5 N4 O5.5 -","- C10 H32 Cl3 Co0.5 Mn0.5 N4 O5 -","- C20 H64 Cl6 Co Mn N8 O10 -","2","0.5","CR1206","Chen, X.; Long, G.; Willett, R. D.; Hawks, T.; Molnar, S.; Brewer, K.","Three Metal (1,4,8,11-Tetraazacyclotetradecane) Halide Salts","Acta Crystallographica Section C","1996","52","8","1924","1928","10.1107/S0108270195016829","","","0.71073","MoKα","","","0.065","","","0.073","","","","","1.23","1.23","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2005240","15.082","0.003","9.19","0.0003","26.499","0.005","90","","90.533","0.009","90","","3672.7","1","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ga3 Mo26 O48 Sr4 -","- Ga3 Mo26 O48 Sr4 -","- Ga12 Mo104 O192 Sr16 -","4","1","DU1150","Tortelier, J.; Gougeon, P.","Sr~4~Ga~3~Mo~26~O~48~ Containing Mo~7~ Clusters and Infinite Mo~7~‒Mo~10~‒Mo~7~ Chains","Acta Crystallographica Section C","1996","52","8","1862","1867","10.1107/S0108270196002727","","","0.71073","MoKα","","","0.036","","","0.039","","","","","1.325","1.325","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005241","9.711","0.001","10.907","0.002","20.669","0.003","89.58","0.01","84.04","0.01","85.54","0.01","2170.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(2,2'(1,2'-bicyclohexenyl))bis(triphenylphosphine)platinum(0) Tetrahydrofuran Solvate","","- C51.4 H52.8 O0.85 P2 Pt -","- C48 H46 P2 Pt -","- C96 H92 P4 Pt2 -","2","1","FG1046","Abboud, K. A.; Lu, Z.; Jones, W. M.","[2,2'-(1,3'-Bicyclohexenyl)]bis(triphenylphosphine)platinum(0) Tetrahydrofuran Solvate","Acta Crystallographica Section C","1996","52","8","1909","1911","10.1107/S0108270196000133","","","0.71073","MoKα","","0.0492","0.0367","","0.0827","0.0786","","","","0.995","1.052","1.052","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005242","15.557","0.009","13.138","0.004","17.899","0.005","90","","90","","90","","3658","3","296","","296","","","","","","","","","4","P b c n","-P 2n 2ab","60","","5,5-diethyl-1-methyl-(1H,2H,3H,5H)-hexahydropyrimidine-4,6-dione-2- spiro-9'-fluorene","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C168 H176 N16 O16 -","8","1","FG1159","Gong, Y.; Robinson, P. D.; Bausch, M. J.","5,5-Diethyl-1-methyl-1<i>H</i>,2<i>H</i>,3<i>H</i>,5<i>H</i>-pyrimidine-2-spiro-9'-fluorene-4,6-dione","Acta Crystallographica Section C","1996","52","8","2081","2084","10.1107/S0108270196001485","","","0.71069","MoKα","","","0.048","","","0.044","","","","","1.38","1.38","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005243","6.553","0.004","10.893","0.004","20.492","0.002","90","","94.09","0.02","90","","1459","1","296","","296","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C35 H50 -","- C35 H50 -","- C70 H100 -","2","1","FG1167","Parvez, M.; Nicholson, R.; Simion, D.; Sorensen, T. S.","Naphtho[2,3-<i>b</i>]cholestane","Acta Crystallographica Section C","1996","52","8","2113","2115","10.1107/S0108270196003599","","","0.71069","MoKα","","","0.0595","","","0.0611","","","","","3.158","3.158","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005244","10.223","0.003","14.096","0.003","21.454","0.008","90","","90","","90","","3091.6","1.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(OC-6-2'3'-C)-Chlorobis[2-(diphenylphosphino)phenolato]oxorhenium(V)","","- C36 H28 Cl O3 P2 Re -","- C36 H28 Cl O3 P2 Re -","- C144 H112 Cl4 O12 P8 Re4 -","4","1","FG1173","Loiseau, F.; Lucchese, Y.; Dartiguenave, M.; Bélanger-Gariépy, F.; Beauchamp, A. L.","Chlorobis[2-(diphenylphosphino)phenolato-<i>O</i>,<i>P</i>]oxorhenium(V)","Acta Crystallographica Section C","1996","52","8","1968","1971","10.1107/S0108270196004106","","","1.54056","CopperKα","","0.0393","0.031","","0.065","0.0625","","","","0.74","0.781","0.781","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005245","13.511","0.001","8.72","0.001","13.972","0.002","90","","102.177","0.009","90","","1609.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[di(2-aminoethyl)amine]nickel(II) chloride monohydrate","","- C8 H28 Cl2 N6 Ni O -","- C8 H28 Cl2 N6 Ni O -","- C32 H112 Cl8 N24 Ni4 O4 -","4","1","FG1177","Hynes, R. C.; Willis, C. J.; Vittal, J. J.","Bis[di(2-aminoethyl)amine-<i>N</i>,<i>N</i>',<i>N</i>'']nickel(II) Chloride Monohydrate, a Redetermination","Acta Crystallographica Section C","1996","52","8","1879","1881","10.1107/S0108270196005835","","","0.71073","MoKα","","0.0488","0.035","","0.0833","0.077","","","","1.034","1.064","1.064","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005246","17.381","0.004","18.414","0.003","9.591","0.002","90","","90","","90","","3069.6","1.1","294","","294","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H30 P2 -","- C40 H30 P2 -","- C160 H120 P8 -","4","1","FG1181","Fu, T. Y.; Scheffer, J. R.; Trotter, J.","(+)-(4b<i>R</i>,8b<i>R</i>,8c<i>R</i>,8d<i>R</i>)-Tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8b,8c-bis(diphenylphosphine)","Acta Crystallographica Section C","1996","52","8","2095","2097","10.1107/S0108270196004477","","","1.5418","CuKα","","","0.031","","0.051","0.033","","","","0.035","1.9","1.9","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005247","8.427","0.002","9.043","0.002","10.195","0.002","115.61","0.02","102.39","0.02","90.07","0.02","680.4","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","{trans-2,2,4,4-Tetrafluoro-1,3-diphenyl-1,3-diphosphetane} -bis(pentacarbonylchromium(0))","","- C24 H10 Cr2 F4 O10 P2 -","- C24 H10 Cr2 F4 O10 P2 -","- C24 H10 Cr2 F4 O10 P2 -","1","0.5","FG1186","Jones, P. G.","<i>trans</i>-2,2,4,4-Tetrafluoro-1,3-diphenyl-1,3-diphosphetanediyl-1,3-bis[pentacarbonylchromium(0)]","Acta Crystallographica Section C","1996","52","8","1919","1921","10.1107/S0108270196004817","","","0.71073","MoKα","","0.0232","0.0219","","0.0632","0.059","","","","1.08","1.087","1.087","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005248","14.817","0.003","17.322","0.004","16.788","0.003","90","","107.24","0.02","90","","4115.2","1.5","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(3',5'-Bis-trifluoromethyl-phenyl)-8-(4""-methoxy-phenyl)-naphthalene","","- C25 H16 F6 O -","- C25 H16 F6 O -","- C200 H128 F48 O8 -","8","2","FG1206","Bahl, A.; Grahn, W.; Jones, P. G.","1-[3,5-Bis(trifluoromethyl)phenyl]-8-(4-methoxyphenyl)naphthalene: a Novel Three-Dimensional Non-Linear Optical Chromophore","Acta Crystallographica Section C","1996","52","8","2014","2017","10.1107/S0108270196007834","","","0.71073","MoKα","","0.0968","0.0535","","0.1365","0.1027","","","","1.078","1.076","1.076","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005249","9.376","0.001","9.187","0.002","22.287","0.005","90","","94.62","0.01","90","","1913.5","0.6","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl-{4-[8-(4-trifluoromethyl-phenyl)-naphthalen-1-yl]-phenyl}-selane","","- C24 H17 F3 Se -","- C24 H17 F3 Se -","- C96 H68 F12 Se4 -","4","1","FG1208","Bahl, A.; Grahn, W.; Jones, P. G.","Methyl {4-[8-(4-Trifluoromethylphenyl)naphthalen-1-yl]phenyl} Selenide","Acta Crystallographica Section C","1996","52","8","2017","2020","10.1107/S0108270196007846","","","0.71073","MoKα","","0.064","0.0492","","0.1327","0.1132","","","","1.038","1.03","1.03","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005250","11.815","0.003","19.334","0.002","8.839","0.002","90","","90","","90","","2019.1","0.7","294.2","","294.2","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C11 H27 Cl2 Cu N5 O8 -","- C11 H27 Cl2 Cu N5 O8 -","- C44 H108 Cl8 Cu4 N20 O32 -","4","1","FG1210","Dittler-Klingemann, A. M.; Hahn, F. E.; Orvig, C.; Rettig, S. J.","(Acetonitrile)[<i>N</i>,<i>N</i>-bis(3-aminopropyl)-1,3-propanediamine-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']copper(II) Diperchlorate","Acta Crystallographica Section C","1996","52","8","1957","1959","10.1107/S0108270196007858","","","0.7107","MoKα","","0.2274","0.0392","","0.0473","0.0339","","","","","1.581","1.581","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005251","14.605","0.003","9.877","0.002","7.569","0.001","90","","92.44","0.02","90","","1090.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H30 N2 S4 Zn2 -","- C14 H30 N2 S4 Zn2 -","- C28 H60 N4 S8 Zn4 -","2","0.5","HU1091","Malik, M. A.; O'Brien, P.; Motevalli, M.","Bis(μ-diethyldithiocarbamato)-1κ<i>S</i>,1:2κ^2^<i>S</i>';2κ<i>S</i>,1:2κ^2^<i>S</i>'-bis(ethylzinc)","Acta Crystallographica Section C","1996","52","8","1931","1933","10.1107/S0108270196002831","","","0.71069","MoKα","","0.05","0.0337","","0.0918","0.0886","","","","1.024","1.138","1.138","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005252","9.387","0.0004","10.0616","0.0004","21.722","0.001","90","","90","","90","","2051.6","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1'R,2R,2'S,4""S)-3-(4""-Benzyl-oxazolidin-2""-one-3""-yl) -3-oxo-2-(2'-vinyl-cyclohexyl)-propionic acid methyl ester","","- C22 H27 N O5 -","- C22 H27 N O5 -","- C88 H108 N4 O20 -","4","1","JZ1097","Schäfer, M.; Herbst-Irmer, R.; Pohl, E.; Schünke, C.; Tietze, L. F.","(2<i>R</i>)-3-[(4<i>S</i>)-4-Benzyl-2-oxo-3-oxazolidinyl]-3-oxo-2-[(1<i>R</i>,2<i>S</i>)-2-vinylcyclohexyl]propionic Acid Methyl Ester and (2<i>R</i>)-3-[(4<i>S</i>)-4-Benzyl-2-oxo-3-oxazolidinyl]-3-oxo-2-[(1<i>R</i>,2<i>S</i>)-2-vinylcyclopentyl]propionic Acid Methyl Ester","Acta Crystallographica Section C","1996","52","8","2029","2032","10.1107/S010827019600159X","","","1.54178","CuKα","","0.0491","0.0429","","0.1122","0.1072","","","","1.044","1.064","1.064","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005253","9.272","0.005","9.699","0.002","21.21","0.006","90","","90","","90","","1907.4","1.2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1'R,2R,2'S,4''S)-3-(4''-Benzyl-oxazolidin-2''-one-3''-yl) -3-oxo-2-(2'-vinyl-cyclopentyl)-propionic acid methyl ester","","- C21 H25 N O5 -","- C21 H25 N O5 -","- C84 H100 N4 O20 -","4","1","JZ1097","Schäfer, M.; Herbst-Irmer, R.; Pohl, E.; Schünke, C.; Tietze, L. F.","(2<i>R</i>)-3-[(4<i>S</i>)-4-Benzyl-2-oxo-3-oxazolidinyl]-3-oxo-2-[(1<i>R</i>,2<i>S</i>)-2-vinylcyclohexyl]propionic Acid Methyl Ester and (2<i>R</i>)-3-[(4<i>S</i>)-4-Benzyl-2-oxo-3-oxazolidinyl]-3-oxo-2-[(1<i>R</i>,2<i>S</i>)-2-vinylcyclopentyl]propionic Acid Methyl Ester","Acta Crystallographica Section C","1996","52","8","2029","2032","10.1107/S010827019600159X","","","0.71073","MoKα","","0.0495","0.0415","","0.1072","0.0979","","","","1.079","1.042","1.042","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005254","9.364","0.001","10.457","0.001","11.311","0.002","71.47","0.01","76.13","0.01","75.27","0.01","1000.3","0.2","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","Dicyano[7,7-dimethyl-2,5-di-p-tolyl-3,4-diazabicyclo[4.1.0] hept-2,4-diene-3-ium-3-yl]methanide","","- C24 H22 N4 -","- C24 H22 N4 -","- C48 H44 N8 -","2","1","JZ1114","Breu, J.; Range, K.-J.; Riebel, P.; Weber, A.; Sauer, J.","Dicyano(7,7-dimethyl-2,5-di-<i>p</i>-tolyl-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-3-ium-3-yl)methanide and (4-Benzoyl-5,5-dimethyl-2-phenyl-1-azacyclopenta-1,3-dien-1-ium-1-yl)dicyanomethanide, Two Stable Azomethine Ylides","Acta Crystallographica Section C","1996","52","8","2053","2056","10.1107/S0108270196001084","","","0.71069","MoKα","","0.144","0.0574","","0.1442","0.0947","","","","0.97","1.392","1.392","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005255","8.978","0.001","9.367","0.001","12.043","0.002","76.54","0.01","76.58","0.01","63.662","0.009","873","0.2","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","Dicyano[4-benzoyl-5,5-dimethyl-2-phenyl-1-azacyclopenta-1,3-diene-1-ium-1-yl] methanide","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C44 H34 N6 O2 -","2","1","JZ1114","Breu, J.; Range, K.-J.; Riebel, P.; Weber, A.; Sauer, J.","Dicyano(7,7-dimethyl-2,5-di-<i>p</i>-tolyl-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-3-ium-3-yl)methanide and (4-Benzoyl-5,5-dimethyl-2-phenyl-1-azacyclopenta-1,3-dien-1-ium-1-yl)dicyanomethanide, Two Stable Azomethine Ylides","Acta Crystallographica Section C","1996","52","8","2053","2056","10.1107/S0108270196001084","","","0.71069","MoKα","","0.0638","0.0329","","0.0714","0.0652","","","","0.839","0.969","0.969","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005256","7.646","0.004","7.646","0.004","26.29","0.01","90","","90","","120","","1331","1.1","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Cl7 Cs4 Yb -","- Cl7.02 Cs4 Yb -","- Cl21.06 Cs12 Yb3 -","3","0.0833333","JZ1121","Reuter, G.; Sebastian, J.; Frenzen, G.","Tetracaesium Ytterbium Heptachloride with Partly Disordered Chloride Ions","Acta Crystallographica Section C","1996","52","8","1859","1862","10.1107/S0108270196003137","","","0.71073","MoKα","","0.0409","0.0395","","0.0921","0.0914","","","","1.27","1.272","1.272","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005257","14.0585","0.0009","7.6504","0.0004","18.655","0.001","90","","93.599","0.006","90","","2002.4","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Diiodo-bis(nicotinamide-N^1^-acetato)zinc(II)","","- C16 H16 I2 N4 O6 Zn -","- C16 H16 I2 N4 O6 Zn -","- C64 H64 I8 N16 O24 Zn4 -","4","0.5","JZ1127","Zelenák, V.; Györyová, K.; Císarová, I.; Loub, J.","Diiodobis(nicotinamide-<i>N</i>^1^-acetate-<i>O</i>)zinc(II)","Acta Crystallographica Section C","1996","52","8","1917","1919","10.1107/S0108270196004295","","","0.71069","MoKα","","0.0221","0.0208","","0.0537","0.0531","","","","1.113","1.126","1.126","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005258","7.345","0.003","10.532","0.003","15.129","0.004","102","0.02","100.16","0.02","80.99","0.03","1118","0.6","293","","","","","","","","","","","4","P 1","P 1","1","","","","- C26 H31 N O3 -","- C26 H29 N O3 -","- C52 H58 N2 O6 -","2","2","KA1137","Stankovic, S.; Lazar, D.; Miljkovic, D.; Medic-Mijacevic, L.; Gasi, K.; Kovacevic, R.; Courseille, C.","17α-Benzyl-17β-hydroxy-16-hydroxyimino-3-methoxyestra-1,3,5(10)-triene","Acta Crystallographica Section C","1996","52","8","2037","2040","10.1107/S0108270195011309","","","1.54184","CuKα","","","0.067","","","0.068","","","","","2.42","2.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005259","12.032","0.001","7.742","0.001","15.148","0.001","90","","90.92","0.01","90","","1410.9","0.2","296","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H52 O2 -","- C32 H52 O2 -","- C64 H104 O4 -","2","1","KA1168","Kiyotani, T.; Kitajima, J.; Tanaka, Y.; Ageta, H.","Rhoiptelenyl Acetate, a New Pentacyclic Triterpenoid from <i>Ficus thunbergii</i>","Acta Crystallographica Section C","1996","52","8","2024","2026","10.1107/S0108270196001588","","","0.71073","MoKα","","","0.056","","","0.049","","","","","1.38","1.38","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005260","5.432","0.001","3.769","0.001","21.959","0.004","90","","95.66","0.03","90","","447.38","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H12 N8 O4 -","- C2 H14 N8 O4 -","- C4 H28 N16 O8 -","2","0.5","KA1171","Bircher, H.-R.; Ochsenbein, P.; Hauser, J.; Bürgi, H.-B.","Bis(hydrazinium) <i>N</i>,<i>N</i>'-Dinitroethylenediaminate(2 ‒)","Acta Crystallographica Section C","1996","52","8","2002","2004","10.1107/S0108270196002521","","","0.71073","MoKα","","0.0482","0.0318","","0.1006","0.0897","","","","1.034","1.073","1.073","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005261","8.481","0.002","7.584","0.002","14.917","0.003","90","","100.6","0.2","90","","943.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4,6-Dichloro-[1,3,5]triazin-2-ylethynyl)-dimethyl-amine","","- C7 H6 Cl2 N4 -","- C7 H6 Cl2 N4 -","- C28 H24 Cl8 N16 -","4","1","KA1174","Wilhelm, P.; Boss, C.; Pfammatter, M.; Thommen, M.; Ploom, T.; Schauder, S.; Berger, U.; Vanhelmont, F.; Förtsch, M.; Hauser, J.; Bürgi, H.-B.","(4,6-Dichloro-1,3,5-triazin-2-ylethynyl)dimethylamine","Acta Crystallographica Section C","1996","52","8","2004","2006","10.1107/S0108270196002545","","","0.71069","MoKα","","0.0715","0.0308","","0.0876","0.0797","","","","1.014","1.153","1.153","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005262","11.773","0.003","11.408","0.001","14.83","0.003","90","","112.32","0.02","90","","1842.5","0.7","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N3 O S -","- C19 H23 N3 O S -","- C76 H92 N12 O4 S4 -","4","1","KA1178","Sudha, L.; Selvan, J. S.; Subramanian, K.; Steiner, Th.; Koellner, G.; Srinivasan, N.; Ramdas, K.","1,3-Bis(2-methylphenyl)-2-(4-morpholino)isothiourea","Acta Crystallographica Section C","1996","52","8","2047","2049","10.1107/S0108270196002429","","","1.54184","CuKα","","","0.058","","0.175","0.141","","","","1.138","1.138","1.138","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005263","6.41","0.003","13.34","0.004","23.851","0.005","90","","90","","90","","2039.5","1.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","β-Estradiol 3-benzoate","(17β)-Estra-1,3,5(10)-triene-3,17-diol 3-benzoate","","- C25 H28 O3 -","- C25 H28 O3 -","- C100 H112 O12 -","4","1","KA1186","Bolaños-García, V. M.; Juárez-Martínez, G.; Panneerselvam, K.; Soriano-García, M.","17β-Estradiol 3-Benzoate","Acta Crystallographica Section C","1996","52","8","1997","2000","10.1107/S0108270196002752","","","1.54178","CuKα","","0.0369","0.0348","","0.0958","0.0936","","","","1.039","1.052","1.052","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005264","7.665","0.001","14.816","0.001","13.237","0.001","90","","93.83","0.001","90","","1499.9","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-phenyl-2-(propyl-amino)-penthane","","- C14 H24 Cl N -","- C14 H24 Cl N -","- C56 H96 Cl4 N4 -","4","2","KA1192","Simon, K.; Harmat, V.; Török, Z.; Böcskei, Z.; Hermecz, I.","1-Phenyl-2-(propylamino)pentane, a Memory Enhancer","Acta Crystallographica Section C","1996","52","8","2090","2092","10.1107/S0108270196005148","","","1.5418","CuKα","","0.1074","0.0528","","0.1654","0.1568","","","","1.024","1.207","1.207","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005265","10.303","0.002","23.585","0.003","5.335","0.003","90","","90","","90","","1296.4","0.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","trimethylsilyl N-p-bromo phenyl carbamate","","- C10 H14 Br N O2 Si -","- C10 H14 Br N O2 Si -","- C40 H56 Br4 N4 O8 Si4 -","4","1","KA1195","Böcskei, Z.; Rohonczy, J.; Szalay, R.; Knausz, D.","Two <i>N</i>-Aryl-Substituted Silyl Carbamates","Acta Crystallographica Section C","1996","52","8","2063","2066","10.1107/S0108270196006439","","","1.54178","CuKα","","0.0743","0.0417","","0.1257","0.0985","","","","1.098","1.06","1.06","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005266","18.508","0.005","6.24","0.009","28.128","0.006","90","","94.57","0.02","90","","3238","5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","trimethylsilyl N-phenyl N-tert-buthyl carbamate","","- C14 H23 N O2 Si -","- C14 H23 N O2 Si -","- C112 H184 N8 O16 Si8 -","8","2","KA1195","Böcskei, Z.; Rohonczy, J.; Szalay, R.; Knausz, D.","Two <i>N</i>-Aryl-Substituted Silyl Carbamates","Acta Crystallographica Section C","1996","52","8","2063","2066","10.1107/S0108270196006439","","","1.54178","CuKα","","0.1177","0.0434","","0.1435","0.1027","","","","1.082","1.093","1.093","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005267","8.398","0.002","9.858","0.002","12.781","0.003","94.89","0.01","103.94","0.02","113.36","0.02","923.2","0.4","293","2","293","2","","","","","","","","3","P 1","P 1","1","","β-zearalenol sesquihydrate","","- C18 H27 O6.5 -","- C18 H27 O6.5 -","- C36 H54 O13 -","2","2","KA1204","Panneerselvam, K.; Rudiño-Piñera, E.; Soriano-García, M.","β-Zearalenol Sesquihydrate","Acta Crystallographica Section C","1996","52","8","1995","1997","10.1107/S0108270196006415","","","1.54178","CuKα","","0.0361","0.0342","","0.091","0.0886","","","","1.068","1.07","1.07","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005268","11.364","0.002","8.485","0.002","9.868","0.002","90","","109.24","0.03","90","","898.4","0.4","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N8 O3 -","- C4 H8 N8 O3 -","- C16 H32 N32 O12 -","4","1","KH1062","Dong, S.; Zhang, G.; Chen, B.; Ou, Y.; Jai, H.","A New Energetic Material: an Azidoethylamine Salt of Triazole","Acta Crystallographica Section C","1996","52","8","2057","2058","10.1107/S0108270196004921","","","0.71073","MoKα","","","0.0501","","","0.0551","","","","","1.65","1.65","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005269","8.387","0.008","12.111","0.002","12.619","0.002","111.27","0.02","102.06","0.03","99.81","0.05","1124.7","1.2","296","","","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H25 Dy O -","- C28 H25 Dy O -","- C56 H50 Dy2 O2 -","2","1","KH1066","Zhou, X.; Ma, H.; Wu, Z.; You, X.; Xu, Z.; Zhang, Y.; Huang, X.","Benzophenone Adduct of Tris(cyclopentadienyl)dysprosium","Acta Crystallographica Section C","1996","52","8","1875","1877","10.1107/S0108270196002934","","","0.71073","MoKα","","","0.03","","","0.039","","","","","1.34","1.34","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005270","7.793","0.002","12.448","0.002","13.021","0.003","82.1","0.03","75.06","0.03","86.06","0.03","1208.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis (2-carboxyl-9-dihydroxymethyl-1,10-phenanthroline) copper(II) hydrate","","- C28 H20 Cu N4 O9 -","- C28 H20 Cu N4 O9 -","- C56 H40 Cu2 N8 O18 -","2","1","KH1071","Sabel, D. M.; Thompson, J. A.; Butcher, R.; Smith, P. H.","2-Carboxy-9-dihydroxymethyl-1,10-phenanthroline Complexes of Cobalt(II) and Copper(II)","Acta Crystallographica Section C","1996","52","8","1950","1954","10.1107/S010827019600443X","","","0.71073","MoKα","","0.2333","0.1053","","0.278","0.1202","","","","3.6","3.6","3.6","","","","","has coordinates,has disorder","200176","2020-10-21","18:00:00",""
"2005271","7.778","0.002","12.219","0.002","12.93","0.003","83.24","0.03","75.71","0.03","86.45","0.03","1181.9","0.5","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","bis(2-carboxyl-9-dihydroxymethyl-1,10-phenanthroline) cobalt(II) hydrate","","- C28 H20 Co N4 O9 -","- C28 H20 Co N4 O9 -","- C56 H40 Co2 N8 O18 -","2","1","KH1071","Sabel, D. M.; Thompson, J. A.; Butcher, R.; Smith, P. H.","2-Carboxy-9-dihydroxymethyl-1,10-phenanthroline Complexes of Cobalt(II) and Copper(II)","Acta Crystallographica Section C","1996","52","8","1950","1954","10.1107/S010827019600443X","","","0.71073","MoKα","","0.1242","0.0644","","0.1056","0.0868","","","","1.14","1.14","1.14","","","","","has coordinates,has disorder","200176","2020-10-21","18:00:00",""
"2005272","8.683","0.003","16.309","0.005","9.216","0.004","90","","99.25","0.03","90","","1288.1","0.8","296","","","","","","","","","","","6","P 1 21 1","","","","","","- C18 H41 Cl N4 O7 Zn -","- C18 H41 Cl N4 O7 Zn -","- C36 H82 Cl2 N8 O14 Zn2 -","2","1","KH1072","H.-M. Hu; H.-S. Sun; X.-Z. You; X.-Y. Huang","(Acetato-<i>O</i>)(<i>meso</i>-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')zinc(II) Perchlorate Monohydrate","Acta Crystallographica Section C","1996","52","8","1946","1948","10.1107/S0108270196004945","","","0.71073","MoKα","","","0.034","","","0.044","","","","","1.47","1.47","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005273","12.221","0.003","20.75","0.003","13.902","0.002","90","","106.94","0.02","90","","3372.4","1.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tetrachlorotin Bis(diphenylphosphonato)ferrocene.","","- C34 H28 Cl4 Fe O2 P2 Sn -","- C34 H28 Cl4 Fe O2 P2 Sn -","- C136 H112 Cl16 Fe4 O8 P8 Sn4 -","4","1","KH1088","Yamin, B. M.; bin Shawkataly, O.; Fun, H.-K.; Sivakumar, K.","[1,1'-Bis(diphenylphosphonato-<i>O</i>)ferrocene]tetrachlorotin","Acta Crystallographica Section C","1996","52","8","1966","1968","10.1107/S0108270196001758","","","0.71073","MoKα","","0.0451","0.0331","","0.0912","0.0865","","","","0.98","1.052","1.052","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005274","10.845","0.001","7.773","0.001","24.018","0.001","90","","97.37","0.01","90","","2007.9","0.3","299","","299","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1R*,2R*)-2-[(S*)-1-benzyloxyethyl]-1-(1-[(Z)-(2,4-dinitrophenylhydrazono] ethyl)cyclopropane","","- C20 H22 N4 O5 -","- C20 H22 N4 O5 -","- C80 H88 N16 O20 -","4","1","KH1094","Ohba, S.","(1<i>R</i>*,2<i>R</i>*)-2-[(<i>S</i>*)-1-Benzyloxyethyl]-1-cyclopropyl Methyl Ketone (<i>Z</i>)-2,4-Dinitrophenylhydrazone","Acta Crystallographica Section C","1996","52","8","2118","2119","10.1107/S0108270196004283","","","0.71073","MoKα","","","0.0566","","","0.0541","","","","","1.89","1.89","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2005275","15.328","0.007","15.621","0.006","12.427","0.004","103.18","0.03","93.98","0.04","110.49","0.03","2677","2","296","","","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H28 N2 O4 P2 S4 Zn -","- C20 H28 N2 O4 P2 S4 Zn -","- C80 H112 N8 O16 P8 S16 Zn4 -","4","2","MU1140","Zhu, D.-L.; Yu, Y.-P.; Guo, G.-C.; Zhuang, H.-H.; Huang, J.-S.; Liu, Q.; Xu, Z.; You, X.-Z.","<i>catena</i>-Poly[bis(<i>O</i>,<i>O</i>'-diethyldithiophosphato-<i>S</i>)zinc(II)-μ-4,4'-bipyridyl-<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","1996","52","8","1963","1966","10.1107/S010827019600368X","","","0.71073","MoKα","","","0.055","","","0.07","","","","","1.68","1.68","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005276","9.942","0.002","9.245","0.002","20.982","0.004","90","0.02","99.12","0.02","90","0.02","1904.2","0.7","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Zinc-meso-tetra-p-tolylporphyrin","","- C48 H36 N4 Zn -","- C48 H36 N4 Zn -","- C96 H72 N8 Zn2 -","2","0.5","MU1248","Dastidar, P.; Goldberg, I.","Zinc‒<i>meso</i>-tetra-<i>p</i>-tolylporphyrin and its Chlorotoluene Channel-Type Clathrate with π‒π and C—H···π Interaction Modes Stabilizing the Porphyrin Host Lattice","Acta Crystallographica Section C","1996","52","8","1976","1980","10.1107/S0108270196002338","","","0.7107","MoKα","","0.0594","0.0473","","0.1461","0.1352","","","","1.012","1.034","1.034","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005277","32.468","0.009","9.532","0.001","15.048","0.002","90","0.01","112.03","0.02","90","0.01","4317.1","1.5","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","zinc-meso-tetra-p-tolylporphyrin m-chlorotoluene solvate","","- C55 H43 Cl N4 Zn -","- C48 H36 N4 Zn -","- C192 H144 N16 Zn4 -","4","0.5","MU1248","Dastidar, P.; Goldberg, I.","Zinc‒<i>meso</i>-tetra-<i>p</i>-tolylporphyrin and its Chlorotoluene Channel-Type Clathrate with π‒π and C—H···π Interaction Modes Stabilizing the Porphyrin Host Lattice","Acta Crystallographica Section C","1996","52","8","1976","1980","10.1107/S0108270196002338","","","0.7107","MoKα","","0.1391","0.0975","","0.2834","0.2656","","","","1.405","1.669","1.669","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005278","6.397","0.001","10.405","0.001","12.347","0.001","69.78","0.01","85.58","0.01","78.77","0.01","756.37","0.16","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Bis(N,N'-dimethylthiourea)silver(I) Perchlorate.","","- C6 H16 Ag Cl N4 O4 S2 -","- C6 H16 Ag Cl N4 O8 S2 -","- C12 H32 Ag2 Cl2 N8 O16 S4 -","2","1","MU1251","Pakawatchai, C.; Sivakumar, K.; Fun, H.-K.","Bis(<i>N</i>,<i>N</i>'-dimethylthiourea-<i>S</i>)silver(I) Perchlorate and Tris(<i>N</i>,<i>N</i>'-dimethylthiourea-<i>S</i>)silver(I) Perchlorate","Acta Crystallographica Section C","1996","52","8","1954","1957","10.1107/S0108270196002971","","","0.71073","MoKα","","0.046","0.0384","","0.1148","0.1104","","","","1.044","1.114","1.114","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005279","9.887","0.001","10.096","0.001","10.687","0.001","90.96","0.01","105.68","0.01","95.15","0.01","1021.99","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Tris(N,N'-dimethylthiourea)silver(I) Perchlorate.","","- C9 H24 Ag Cl N6 O4 S3 -","- C9 H24 Ag Cl N6 O4 S3 -","- C18 H48 Ag2 Cl2 N12 O8 S6 -","2","1","MU1251","Pakawatchai, C.; Sivakumar, K.; Fun, H.-K.","Bis(<i>N</i>,<i>N</i>'-dimethylthiourea-<i>S</i>)silver(I) Perchlorate and Tris(<i>N</i>,<i>N</i>'-dimethylthiourea-<i>S</i>)silver(I) Perchlorate","Acta Crystallographica Section C","1996","52","8","1954","1957","10.1107/S0108270196002971","","","0.71073","MoKα","","0.035","0.0318","","0.0861","0.0844","","","","1.08","1.118","1.118","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005280","13.329","0.002","13.647","0.001","14.467","0.001","89.7","0.01","79.47","0.01","80.09","0.01","2547.7","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Isothiocyanatotris(triphenylphosphine)silver(I) chloroform solvate","","- C56 H46 Ag Cl3 N P3 S -","- C56 H46 Ag Cl3 N P3 S -","- C112 H92 Ag2 Cl6 N2 P6 S2 -","2","1","MU1253","Othman, A. H.; Fun, H.-K.; Sivakumar, K.; Farina, Y.; Baba, I.","(Thiocyanato-<i>N</i>)tris(triphenylphosphine)silver(I) Chloroform Solvate","Acta Crystallographica Section C","1996","52","8","1933","1935","10.1107/S0108270196003733","","","0.71073","MoKα","","0.0672","0.0513","","0.1641","0.1541","","","","1.059","1.144","1.144","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005281","8.3934","0.0008","10.009","0.001","11.954","0.001","71.137","0.008","94.378","0.008","93.974","0.009","946.48","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Aqua[bis(3-aminopropyl)amine-N,N',N''](glutarato)copper tetrahydrate","","- C11 H33 Cu N3 O9 -","- C11 H33 Cu N3 O9 -","- C22 H66 Cu2 N6 O18 -","2","1","MU1258","Pajunen, A.; Pajunen, S.; Kivikoski, J.; Valkonen, J.","Aqua[bis(3-aminopropyl)amine-<i>N</i>,<i>N</i>',<i>N</i>''](glutarato-<i>O</i>)copper(II) Tetrahydrate","Acta Crystallographica Section C","1996","52","8","1901","1903","10.1107/S0108270196004064","","","0.71069","MoKα","","0.0604","0.0335","","0.0889","0.0807","","","","1.038","1.082","1.082","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005282","14.405","0.002","15.805","0.002","20.644","0.005","90","","99.61","0.02","90","","4634.1","1.4","293","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H48 Cl14 Cu4 N8 O5 -","- C22 H36 Cl14 Cu4 N8 O5 -","- C88 H144 Cl56 Cu16 N32 O20 -","4","0.5","NA1210","Jackson, G. E.; Voyé, A.; Bourne, S. A.","Bis[5,5-dichloro-4,6-dioxo-3,7-diaza-1,9-nonanediylbis(dimethylammonium)] Tetrachlorohexa-μ-chloro-μ~4~-oxo-tetracuprate(II)","Acta Crystallographica Section C","1996","52","8","1907","1908","10.1107/S0108270196002764","","","0.71073","MoKα","","","0.049","","","0.059","","","","","1.094","1.094","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005283","5.935","0.004","11.358","0.001","10.49","0.002","90","","94.66","0.01","90","","704.8","0.5","292","","292","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bisthiourea-cadmium perrhenate","","- C2 H8 Cd N4 O8 Re2 S2 -","- C2 H8 Cd N4 O8 Re2 S2 -","- C4 H16 Cd2 N8 O16 Re4 S4 -","2","0.5","NA1219","Petrova, R.; Angelova, O.; Macícek, J.","Molecular Adducts of Inorganic Salts. VI. The Dimorphism of Cd(ReO~4~)~2~.2tu (tu = Thiourea)","Acta Crystallographica Section C","1996","52","8","1935","1939","10.1107/S010827019600412X","","","0.71073","MoKα","","0.038","0.031","","0.044","0.044","","","","0.98","0.996","0.996","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005284","8.931","0.002","9.066","0.003","10.125","0.001","76.46","0.02","67.08","0.01","66.39","0.03","688.9","0.3","292","","292","","","","","","","","","7","P -1","-P 1","2","","Bisthiourea-cadmium perrhenate","","- C2 H8 Cd N4 O8 Re2 S2 -","- C2 H8 Cd N4 O8 Re2 S2 -","- C4 H16 Cd2 N8 O16 Re4 S4 -","2","1","NA1219","Petrova, R.; Angelova, O.; Macícek, J.","Molecular Adducts of Inorganic Salts. VI. The Dimorphism of Cd(ReO~4~)~2~.2tu (tu = Thiourea)","Acta Crystallographica Section C","1996","52","8","1935","1939","10.1107/S010827019600412X","","","0.71073","MoKα","","0.064","0.038","","0.057","0.054","","","","1.091","1.041","1.041","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005285","12.987","0.002","24.929","0.002","15.472","0.002","90","","92","0.02","90","","5006.1","1.1","293","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H54 Cl3 N P2 Ru -","- C57 H54 Cl3 N P2 Ru -","- C228 H216 Cl12 N4 P8 Ru4 -","4","1","NA1221","Bianchini, C.; Masi, D.; Peruzzini, M.; Romerosa, A.; Zanobini, F.","<i>anti</i>,<i>mer</i>-[Bis(2-diphenylphosphinoethyl)(<i>n</i>-propyl)amine-<i>N</i>,<i>P</i>,<i>P</i>'](phenylethynyl)[(<i>Z</i>)-1-<i>p</i>-tolyl-4-phenyl-η^3^-but-1-en-3-ynyl]ruthenium(II) Chloroform Solvate","Acta Crystallographica Section C","1996","52","8","1973","1976","10.1107/S0108270196002776","","","0.71073","MoKα","","","0.0625","","","0.1516","","","","","1.017","1.017","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005286","8.566","0.002","14.191","0.004","7.246","0.002","91.63","0.02","114.41","0.09","91.42","0.02","801.1","0.7","295","","298","","","","","","","","","5","P -1","-P 1","2","","3,4-dihydro-6-(3'-methylbenzyl)-2-(2-methylpropyl)thio-4-oxopyrimidine","","- C16 H20 N2 O S -","- C16 H20 N2 O S -","- C32 H40 N4 O2 S2 -","2","1","NA1234","Ettorre, A.; Mai, A.; Artico, M.; Massa, S.; De Montis, A.; La Colla, P.","6-(3-Methylbenzyl)-2-(2-methylpropyl)thio-4(3<i>H</i>)-pyrimidinone (DABO 622)","Acta Crystallographica Section C","1996","52","8","2115","2117","10.1107/S0108270196006117","","","1.54178","CuKα","","","0.056","","","0.067","","","","","1.9","1.9","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2005287","17.0543","0.0007","9.6959","0.0006","35.025","0.002","90","","96.813","0.004","90","","5750.7","0.5","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(4-Chlorophenyl)-4-hydroxy-N,N-dimethyl-α,α-diphenyl- 1-piperidinebutanamide-N-oxide","","- C29 H37.5 Cl N2 O5.25 -","- C29 H39 Cl N2 O7 -","- C232 H312 Cl8 N16 O56 -","8","1","NA1244","Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","4-(4-Chlorophenyl)-4-hydroxy-<i>N</i>,<i>N</i>-dimethyl-α,α-diphenyl-1-piperidinebutanamide <i>N</i>-Oxide Hydrate (Loperamide <i>N</i>-Oxide Hydrate)","Acta Crystallographica Section C","1996","52","8","2100","2102","10.1107/S0108270196005884","","","1.54184","CuKα","","0.0637","0.0489","","0.1407","0.1403","","","","1.057","1.054","1.054","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005288","10.622","0.002","18.234","0.001","10.4","0.002","95.31","0.01","120.16","0.01","96.62","0.01","1703.2","0.5","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- H34 Mo9 N6 O35 -","- Mo9 N6 O35 -","- Mo18 N12 O70 -","2","1","OH1091","Yamase, T.; Sugeta, M.; Ishikawa, E.","Zigzag Chain Structure of Hexaammonium Enneamolybdate Pentahydrate","Acta Crystallographica Section C","1996","52","8","1869","1872","10.1107/S010827019501585X","","","0.71069","MoKα","","","0.0414","","","0.0337","","","","","1.826","1.826","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005289","8.349","0.0007","17.725","0.002","10.129","0.002","90","","90.866","0.009","90","","1498.8","0.4","293","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 Ag Cu N2 O10 -","- C10 H17 Ag Cu N2 O10 -","- C40 H68 Ag4 Cu4 N8 O40 -","4","1","PA1208","Brouca-Cabarrecq, C.; Marrot, B.; Mosset, A.","A New Bimetallic Complex of Ethylenediaminetetraacetic Acid: Ag[Cu(C~10~H~13~N~2~O~8~)(H~2~O)].H~2~O","Acta Crystallographica Section C","1996","52","8","1903","1906","10.1107/S0108270195014715","","","1.54184","CuKα","","","0.0297","","","0.0331","","","","","0.883","0.883","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005290","13.401","0.004","9.103","0.002","12.375","0.008","90","","103.84","0.03","90","","1465.8","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Nitro-4-methylaniline","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C56 H64 N16 O16 -","8","1","PA1210","Ellena, J.; Punte, G.; Rivero, B. E.","4-Methyl-2-nitroaniline","Acta Crystallographica Section C","1996","52","8","2074","2076","10.1107/S0108270195016234","","","0.71073","MoKα","","0.1097","0.0533","","0.0937","0.0729","","","","1.38","1.458","1.458","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005291","9.285","0.003","18.287","0.008","19.427","0.006","90","","99.55","0.04","90","","3253","2","296","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H37 Au Cl Fe N P -","- C36 H37 Au Cl Fe N P -","- C144 H148 Au4 Cl4 Fe4 N4 P4 -","4","1","PA1217","Viotte, M.; Gautheron, B.; Parish, R. G.; Pritchard, R. G.","Chloro[(α-dimethylamino[3]ferrocenophan-2-yl)diphenylphosphino]gold(I) Benzene Solvate","Acta Crystallographica Section C","1996","52","8","1891","1894","10.1107/S0108270196001928","","","0.71069","MoKα","","","0.068","","","0.064","","","","","2.97","2.97","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005292","9.8355","0.0004","8.2688","0.0004","14.7126","0.0008","90","","107.567","0.004","90","","1140.74","0.1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","trimethyl(10E,12E)-cis-bicyclo[12.3.0] heptadeca10,12-diene-4,17-dione-1,8,8-tricarboxylate","","- C23 H30 O8 -","- C23 H30 O8 -","- C46 H60 O16 -","2","1","PT1020","Drouin, M.; Couturier, M.; Crevisy, C.; Dory, Y. L.; Deslongchamps, P.","Two 14-Membered Macrocycles with <i>trans</i>-<i>trans</i> and <i>trans</i>-<i>cis</i> Dienes. Trimethyl (2<i>E</i>,4<i>E</i>)-<i>cis</i>- and Trimethyl (2<i>Z</i>,4<i>E</i>)-<i>trans</i>-11,15-Dioxobicyclo[12.3.0]heptadeca-2,4-diene-7,7,14-tricarboxylate","Acta Crystallographica Section C","1996","52","8","2084","2087","10.1107/S0108270195016817","","","1.54184","CuKα","","0.0505","0.0413","","0.1121","0.1055","","","","1.049","1.101","1.101","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005293","13.6059","0.0006","15.6454","0.0006","10.684","0.0005","90","","95.735","0.004","90","","2262.92","0.17","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","trimethyl(10E,12Z)-trans-bicyclo[12.3.0] heptadeca10,12-diene-4,17-dione-1,8,8-tricarboxylate","","- C23 H30 O8 -","- C23 H30 O8 -","- C92 H120 O32 -","4","1","PT1020","Drouin, M.; Couturier, M.; Crevisy, C.; Dory, Y. L.; Deslongchamps, P.","Two 14-Membered Macrocycles with <i>trans</i>-<i>trans</i> and <i>trans</i>-<i>cis</i> Dienes. Trimethyl (2<i>E</i>,4<i>E</i>)-<i>cis</i>- and Trimethyl (2<i>Z</i>,4<i>E</i>)-<i>trans</i>-11,15-Dioxobicyclo[12.3.0]heptadeca-2,4-diene-7,7,14-tricarboxylate","Acta Crystallographica Section C","1996","52","8","2084","2087","10.1107/S0108270195016817","","","1.54184","CuKα","","0.152","0.072","","0.1","0.077","","","","","1.32","1.32","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005294","13.183","0.006","7.833","0.002","27.8","0.01","90","","90.56","0.04","90","","2870.6","1.8","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Tetrakis(1,2-dihydro-1-methyl-azine-2-thione)copper(I)tetrafluoroborate","","- C24 H28 B Cu F4 N4 S4 -","- C24 H28 B Cu F4 N4 S4 -","- C96 H112 B4 Cu4 F16 N16 S16 -","4","1","SK1022","Giusti, G.; Geier, G.; Currao, A.; Nesper, R.","Thione Compounds of Copper and Silver: Tetrakis[1-methyl-2(1<i>H</i>)-pyridinethione-<i>S</i>]copper(I) Tetrafluoroborate and Tetrakis-[1-methyl-2(1<i>H</i>)-pyridinethione-<i>S</i>]silver(I) Tetrafluoroborate","Acta Crystallographica Section C","1996","52","8","1914","1917","10.1107/S0108270196003666","","","0.71073","MoKα","","0.0565","0.0493","","0.1541","0.1326","","","","1.049","1.049","1.049","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005295","13.35","0.003","7.755","0.003","28.028","0.008","90","","90.15","0.02","90","","2901.7","1.5","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Tetrakis(1,2-dihydro-1-methyl-azine-2-thione)silver(I)tetrafluoroborat","","- C24 H28 Ag B F4 N4 S4 -","- C24 H28 Ag B F4 N4 S4 -","- C96 H112 Ag4 B4 F16 N16 S16 -","4","1","SK1022","Giusti, G.; Geier, G.; Currao, A.; Nesper, R.","Thione Compounds of Copper and Silver: Tetrakis[1-methyl-2(1<i>H</i>)-pyridinethione-<i>S</i>]copper(I) Tetrafluoroborate and Tetrakis-[1-methyl-2(1<i>H</i>)-pyridinethione-<i>S</i>]silver(I) Tetrafluoroborate","Acta Crystallographica Section C","1996","52","8","1914","1917","10.1107/S0108270196003666","","","0.71073","MoKα","","0.0502","0.0452","","0.1282","0.1215","","","","1.075","1.075","1.075","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005296","8.704","0.001","12.636","0.001","17.819","0.002","90","","90","","90","","1959.8","0.4","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[2R,2(1S),4S]-2-(2-Oxocyclopentyl)-4-phenyl-3-(p-toluenesulfonyl)- 1,3-oxazolidine","","- C21 H23 N O4 S -","- C21 H23 N O4 S -","- C84 H92 N4 O16 S4 -","4","1","SK1036","Bolte, M.; Berger, B.","An Arylsulfonyloxazolidine","Acta Crystallographica Section C","1996","52","8","1987","1989","10.1107/S0108270196007718","","","1.5418","CuKα","","0.029","0.0286","","0.0815","0.0811","","","","1.018","1.026","1.026","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005297","11.916","0.003","6.132","0.001","17.832","0.003","90","","101.88","0.01","90","","1275.1","0.4","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O2 S -","- C13 H14 N3 O2 S2 -","- C52 H56 N12 O8 S8 -","4","1","SZ1014","Henry, R.; Copp, R. R.; Wong, C. F.","<i>N</i>-[1-(2-Benzo[<i>b</i>]thienyl)ethyl]-<i>N</i>'-carbamoylurea and 1-[1-(2-Benzo[<i>b</i>]thienyl)ethyl][1,3,5]triazine-2,4,6-trione Methanol Solvate","Acta Crystallographica Section C","1996","52","8","2032","2035","10.1107/S0108270195017215","","","1.54178","CuKα","","","0.043","","","0.042","","","","","2.91","2.91","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005298","17.124","0.002","5.7739","0.0009","15.34","0.01","90","","91.2","0.02","90","","1516.4","1","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 O4 S -","- C14 H15 N3 O4 S -","- C56 H60 N12 O16 S4 -","4","1","SZ1014","Henry, R.; Copp, R. R.; Wong, C. F.","<i>N</i>-[1-(2-Benzo[<i>b</i>]thienyl)ethyl]-<i>N</i>'-carbamoylurea and 1-[1-(2-Benzo[<i>b</i>]thienyl)ethyl][1,3,5]triazine-2,4,6-trione Methanol Solvate","Acta Crystallographica Section C","1996","52","8","2032","2035","10.1107/S0108270195017215","","","1.54178","CuKα","","","0.05","","","0.064","","","","","3","3","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005299","10.144","0.004","10.962","0.003","15.683","0.003","90","","90","","90","","1743.9","0.9","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","1","SZ1020","Sivaraman, J.; Subramanian, K.; Vasanth, S.","Leonotinin","Acta Crystallographica Section C","1996","52","8","2043","2045","10.1107/S0108270195010195","","","0.71073","MoKα","","","0.057","","","0.058","","","","","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005300","26.287","0.005","7.44","0.002","17.775","0.004","90","","127.64","0.02","90","","2752.8","1.3","273","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 O3 -","- C16 H20 O3 -","- C128 H160 O24 -","8","1","SZ1027","Kabaleeswaran, V.; Rajan, S. S.; Kalena, G. P.; Pradhan, P.; Banerji, A.","(1α,3α,11α)-2,2,11-Trimethyl-14-oxatetracyclo[6.5.0.1^7,11^.0^3,8^]tetradec-6-ene-5,9-dione","Acta Crystallographica Section C","1996","52","8","1981","1983","10.1107/S0108270195010201","","","1.5418","CuKα","","","0.041","","","0.051","","","","","0.75","0.75","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005301","10.563","0.002","16.902","0.002","9.297","0.002","90","","90","","90","","1659.8","0.5","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(1',3'-dioxolan-2'-yl)-2-methyl-6-nitro -4-(2'-oxopyrrolidin-1'-yl)-2H-1-benzopyran","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","1","TA1029","Shin, W.; Chae, C. H.; Yoo, S. E.","Antihypertensive 2-(1,3-Dioxolan-2-yl)-2-methyl-6-nitro-4-(2-oxo-1-pyrrolidinyl)-2<i>H</i>-1-benzopyran","Acta Crystallographica Section C","1996","52","8","2058","2060","10.1107/S010827019600248X","","","1.54184","CuKα","","0.0486","0.0341","","0.1335","0.0907","","","","1.495","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005302","8.809","0.001","10.42","0.001","9.642","0.001","90","","90","","90","","885.04","0.16","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4,4'-Oxybispyridine","","- C10 H8 N2 O -","- C10 H8 N2 O -","- C40 H32 N8 O4 -","4","1","TA1056","Dunne, S. J.; von Nagy-Felsobuki, E. I.; Mackay, M. F.","4,4'-Oxybispyridine and 4,4'-Selenobispyridine","Acta Crystallographica Section C","1996","52","8","2040","2042","10.1107/S0108270195014843","","","1.5418","CuKα","","","0.048","","0.098","0.078","","","","0.838","0.838","0.838","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005303","8.609","0.002","5.769","0.002","10.478","0.003","72.81","0.04","70.12","0.02","80.92","0.03","466.6","0.3","291","1","291","2","","","","","","","","4","P -1","-P 1","2","","4,4'-Selenobispyridine","","- C10 H8 N2 Se -","- C10 H8 N2 Se -","- C20 H16 N4 Se2 -","2","1","TA1056","Dunne, S. J.; von Nagy-Felsobuki, E. I.; Mackay, M. F.","4,4'-Oxybispyridine and 4,4'-Selenobispyridine","Acta Crystallographica Section C","1996","52","8","2040","2042","10.1107/S0108270195014843","","","1.5418","CuKα","","0.039","0.039","","0.105","0.094","","","","1.068","","","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005304","6.7134","0.0008","9.8931","0.0009","17.485","0.001","90","","92.101","0.008","90","","1160.51","0.19","294","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","TA1064","Linetsky, M.; Zaragoza, F.; Bott, S. G.; Marchand, A. P.","Two Methylated Hexacyclic Cage Diketones","Acta Crystallographica Section C","1996","52","8","2061","2063","10.1107/S0108270196001667","","","0.71073","MoKα","","","0.0384","","","0.0416","","","","","1.36","1.36","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005305","7.175","0.001","12.0275","0.0008","7.275","0.001","90","","95.51","0.009","90","","624.91","0.13","294","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C34 H32 O4 -","2","0.5","TA1064","Linetsky, M.; Zaragoza, F.; Bott, S. G.; Marchand, A. P.","Two Methylated Hexacyclic Cage Diketones","Acta Crystallographica Section C","1996","52","8","2061","2063","10.1107/S0108270196001667","","","0.71073","MoKα","","","0.0676","","","0.0805","","","","","2.1","2.1","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005306","9.932","0.001","35.972","0.006","30.363","0.004","90","","90","","90","","10848","3","293","1","293","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H25 N O Se Sn -","- C31 H25 N O Se Sn -","- C496 H400 N16 O16 Se16 Sn16 -","16","2","TA1069","Fong, M. C.; Gable, R. W.; Schiesser, C. H.","<i>N</i>-Phenyl-2-(triphenylstannylseleno)benzamide and 2-Methylseleno-<i>N</i>-phenylbenzamide","Acta Crystallographica Section C","1996","52","8","1886","1889","10.1107/S0108270196000790","","","0.71073","MoKα","","0.0779","0.039","","0.0786","0.0625","","","","1.022","1.141","1.141","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005307","9.777","0.002","16.692","0.002","15.82","0.001","90","","90","","90","","2581.8","0.6","293","1","293","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-methylseleno-N-phenylbenzamide","","- C14 H13 N O Se -","- C14 H13 N O Se -","- C112 H104 N8 O8 Se8 -","8","1","TA1069","Fong, M. C.; Gable, R. W.; Schiesser, C. H.","<i>N</i>-Phenyl-2-(triphenylstannylseleno)benzamide and 2-Methylseleno-<i>N</i>-phenylbenzamide","Acta Crystallographica Section C","1996","52","8","1886","1889","10.1107/S0108270196000790","","","1.5418","CuKα(nickelfiltered)","","0.0392","0.029","","0.0795","0.0731","","","","1.049","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005308","8.754","0.002","8.91","0.001","12.992","0.002","90","","90","","90","","1013.4","0.3","158","2","158","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2,6,6-Tetramethylpiperidinium chloride","","- C9 H20 Cl N -","- C9 H20 Cl N -","- C36 H80 Cl4 N4 -","4","1","TA1077","Kaplan, R. W.; Turnbull, M. M.","2,2,6,6-Tetramethylpiperidinium Chloride","Acta Crystallographica Section C","1996","52","8","2049","2051","10.1107/S0108270196001679","","","0.71073","MoKα","","0.0551","0.0405","","0.0845","0.0804","","","","0.819","0.889","0.889","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005309","11.663","0.002","10.187","0.002","27.703","0.005","90","","102.3","0.1","90","","3215.9","1.6","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(3α,3aβ,5α,6α)-(+/-)-3,5-Bis-(methoxycarbonyl)-3a-methyl-6-phenyl tetrahydro-2H-pyran-2-one","","- C16 H18 O6 -","- C16 H18 O6 -","- C128 H144 O48 -","8","2","TA1078","Fallon, G. D.; Lawrence, R. M.; Perlmutter, P.","(±)-3α,5α-Bis(methoxycarbonyl)-3β-methyl-6α-phenyltetrahydro-2<i>H</i>-pyran-2-one","Acta Crystallographica Section C","1996","52","8","2067","2069","10.1107/S0108270196002089","","","1.5418","CuKα","","","0.0677","","","0.0628","","","","","1.584","1.584","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005310","8.971","0.001","15.511","0.002","8.329","0.001","102.85","0.01","111.46","0.01","73.67","0.01","1025.8","0.2","293","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H46 N4 O12 V4 -","- C36 H46 N4 O12 V4 -","- C36 H46 N4 O12 V4 -","1","0.5","TA1088","Kumagai, H.; Endo, M.; Kawata, S.; Kitagawa, S.","A Mixed-Valence Tetranuclear Vanadium(IV, V) Complex, [V~4~O~4~(μ-OEt)~2~(μ-O)~2~(OEt)~4~(phen)~2~]","Acta Crystallographica Section C","1996","52","8","1943","1945","10.1107/S0108270196005781","","","0.7107","MoKα","","","0.06","","","0.054","","","","","3.53","3.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005311","7.471","0.004","21.635","0.004","10.346","0.003","90","","104.32","0.03","90","","1620.3","1.1","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O6 Sn -","- C16 H16 O6 Sn -","- C64 H64 O24 Sn4 -","4","1","TA1090","Basu Baul, T. S.; Tiekink, E. R. T.","Bis(2-hydroxybenzoato-<i>O</i>,<i>O</i>')dimethyltin","Acta Crystallographica Section C","1996","52","8","1959","1961","10.1107/S0108270196005057","","","0.7107","MoKα","","0.064","0.064","","0.085","0.085","","","","1.267","1.267","1.267","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005312","20.992","0.002","6.948","0.001","10.083","0.001","90","","102.15","0.01","90","","1437.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H16 N8 O5 S -","- C8 H16 N8 O5 S -","- C32 H64 N32 O20 S4 -","4","1","VJ1008","Gomes, A. C.; Biswas, G.; Pain (Biswas), S.; Ghosh, S.; Ghosh, D.; Iitaka, Y.; Banerjee, A.","Bis(2,4-diaminopyrimidinium) Sulfate Monohydrate, 2C~4~H~7~N~4~^+^.SO~4~^2{-^}.H~2~O","Acta Crystallographica Section C","1996","52","8","2020","2022","10.1107/S0108270195009656","","","1.5418","CuKα","","0.0568","0.0549","","0.1631","0.1514","","","","1.087","1.096","1.096","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005313","9.5704","0.0009","13.364","0.002","8.748","0.002","90","","108.83","0.01","90","","1059","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ferron","7-Iodo-8-hydroxyquinoline-5-sulfonic Acid","","- C9 H6 I N O4 S -","- C9 H6 I N O4 S -","- C36 H24 I4 N4 O16 S4 -","4","1","VJ1024","Balasubramanian, T.; Muthiah, P. T.","Hydrogen-Bonding Patterns in Substituted Oxines. Redetermination of 8-Hydroxy-7-iodoquinoline-5-sulfonic Acid","Acta Crystallographica Section C","1996","52","8","2072","2073","10.1107/S0108270195010286","","","0.71073","MoKα","","0.0398","0.0298","","0.0743","0.0689","","","","1.077","1.097","1.097","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005314","5.84","0.003","8.063","0.006","12.923","0.007","90","","101.74","0.06","90","","595.8","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 6-O-[(R)-1-Carboxyethyl]-α-D-galactopyranoside","","- C10 H18 O8 -","- C10 H18 O8 -","- C20 H36 O16 -","2","1","AB1291","Eriksson, L.; Pilotti, Å.; Stenutz, R.; Widmalm, G.","Methyl 6-<i>O</i>-[(<i>R</i>)-1-Carboxyethyl]-α-<small>D</small>-galactopyranoside","Acta Crystallographica Section C","1996","52","9","2285","2287","10.1107/S0108270196003411","","","1.54184","CuKα","","0.0817","0.0562","","0.16","0.1411","","","","1.072","1.111","1.111","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005315","5.6286","0.0007","10.257","0.001","12.0111","0.0005","100.924","0.007","100.118","0.006","101.45","0.01","650.72","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H12 N2 O5 -","- C13 H11.55 N2 O5 -","- C26 H23.1 N4 O10 -","2","1","AB1339","Vencato, I.; Gallardo, H.; Meyer, E.","4-(5-Methyl-1,3,4-oxadiazol-2-yl)-1,3-phenylene Diacetate","Acta Crystallographica Section C","1996","52","9","2301","2303","10.1107/S0108270196004039","","","0.71073","MoKα","","0.0548","0.0417","","0.1421","0.123","","","","1.083","1.047","1.047","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005316","10.898","0.0013","7.6993","0.0006","20.713","0.002","90","","103.971","0.008","90","","1686.6","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","meta-diphenylcarborane","1,7-diphenyl-1,7-dicarbadodecaborane","","- C14 H20 B10 -","- C14 H20 B10 -","- C56 H80 B40 -","4","1","AB1346","Rosair, G. M.; Welch, A. J.; Weller, A. S.","Redetermination of 1,7-Diphenyl-1,7-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","1996","52","9","2221","2222","10.1107/S0108270196002107","","","0.71073","MoKα","","0.0945","0.0601","","0.2465","0.1477","","","","1.02","1.068","1.068","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005317","9.673","0.001","20.021","0.002","10.571","0.002","90","","90.89","0.01","90","","2047","0.5","295","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H29 B10 P -","- C14 H29 B10 P -","- C56 H116 B40 P4 -","4","1","AB1350","Sillanpää, R.; Kivekäs, R.; Teixidor, F.; Viñas, C.; Nuñez, R.","1-Diisopropylphosphino-2-phenyl-1,2-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","1996","52","9","2223","2225","10.1107/S0108270196004349","","","0.71073","MoKα","","","0.057","","","0.058","","","","","1.626","1.626","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005318","8.999","0.001","18.174","0.002","7.857","0.001","90","","109.86","0.01","90","","1208.6","0.3","290","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H44 Cl2 Cu N4 O2 -","- C20 H44 Cl2 Cu N4 O2 -","- C40 H88 Cl4 Cu2 N8 O4 -","2","0.5","AS1220","Choi, K.-Y.; Kim, J. C.; Jensen, W. P.; Suh, I.-H.; Choi, S.-S.","Copper(II) and Nickel(II) Complexes with 3,14-Dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane, [<i>M</i>(C~20~H~40~N~4~)]Cl~2~.2H~2~O (<i>M</i> = Cu^II^ and Ni^II^)","Acta Crystallographica Section C","1996","52","9","2166","2168","10.1107/S0108270196002600","","","0.71073","MoKα","","","0.026","","","0.021","","","","","2.67","2.67","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2005319","9.376","0.001","16.042","0.001","8.177","0.002","90","","102.51","0.01","90","","1200.7","0.3","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H44 Cl2 N4 Ni O2 -","- C20 H44 Cl2 N4 Ni O2 -","- C40 H88 Cl4 N8 Ni2 O4 -","2","0.5","AS1220","Choi, K.-Y.; Kim, J. C.; Jensen, W. P.; Suh, I.-H.; Choi, S.-S.","Copper(II) and Nickel(II) Complexes with 3,14-Dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane, [<i>M</i>(C~20~H~40~N~4~)]Cl~2~.2H~2~O (<i>M</i> = Cu^II^ and Ni^II^)","Acta Crystallographica Section C","1996","52","9","2166","2168","10.1107/S0108270196002600","","","0.71073","MoKα","","","0.039","","","0.024","","","","","1.45","1.45","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2005320","9.748","0.002","19.08","0.003","9.955","0.002","90","","109.14","0.01","90","","1749.2","0.6","291","","291","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H10 F8 -","- C20 H10 F8 -","- C80 H40 F32 -","4","1","BK1151","Swenson, D. C.; Morken, P. A.; Burton, D. J.","C~20~H~10~F~8~, a Divinyl Acetylene","Acta Crystallographica Section C","1996","52","9","2349","2351","10.1107/S0108270196004441","","","1.54184","CuKα","","0.078","0.05","","","0.076","","","","","1.46","1.46","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2005321","41.121","0.002","7.039","0.002","7.085","0.002","90","","94.9","0.01","90","","2043.3","0.8","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Biphenyl-3-carboxylic acid","","","- C13 H10 O2 -","- C13 H10 O2 -","- C104 H80 O16 -","8","1","BK1218","Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.","Biphenyl-3-carboxylic Acid at 296 and 203K","Acta Crystallographica Section C","1996","52","9","2320","2323","10.1107/S0108270196003514","","","0.71073","MoKα","","","0.044","","","0.056","","","","","1.98","1.98","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005322","41.065","0.003","6.965","0.003","7.051","0.003","90","","94.83","0.02","90","","2009.5","1.2","203","","203","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Biphenyl-3-carboxylic acid","","","- C13 H10 O2 -","- C13 H10 O2 -","- C104 H80 O16 -","8","1","BK1218","Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.","Biphenyl-3-carboxylic Acid at 296 and 203K","Acta Crystallographica Section C","1996","52","9","2320","2323","10.1107/S0108270196003514","","","0.71073","MoKα","","","0.039","","","0.049","","","","","1.79","1.79","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005323","18.244","0.006","5.403","0.002","24.48","0.008","90","","106.94","0.05","90","","2308.3","1.5","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,4,6-tri-O-benzyl-myo-inositol","","- C27 H30 O6 -","- C27 H28 O6 -","- C108 H112 O24 -","4","1","BK1230","Graingeot, V.; Brigando, C.; Benlian, D.","2,4,6-Tri-<i>O</i>-benzyl-<i>myo</i>-inositol","Acta Crystallographica Section C","1996","52","9","2283","2285","10.1107/S0108270196004684","","","0.71073","MoKα","","","0.048","","","0.06","","","","","2.1","2.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005324","18.13","0.006","12.194","0.004","8.461","0.003","90","","108.82","0.03","90","","1770.5","1.1","160","2","160","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","3,5-(o-tolyl)-1,2-dithia-4-azolylium hexafluoroarsenate(V)","","- C16 H14 As F6 N S2 -","- C16 H14 As F6 N S2 -","- C64 H56 As4 F24 N4 S8 -","4","0.5","BK1238","Clegg, W.; Elsegood, M. R. J.; Banister, A. J.; Hibbert, T. G.","The AsF~6~^{-^} Salt of a 1,2-Dithia-4-azolylium Cation with Sterically Demanding Substituents","Acta Crystallographica Section C","1996","52","9","2148","2150","10.1107/S010827019600563X","","","0.71073","MoKα","","0.0417","0.0362","","0.0971","0.094","","","","1.091","1.117","1.117","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005325","8.785","0.004","15.306","0.007","14.573","0.003","90","","97","0.03","90","","1944.9","1.3","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 Cl2 N3 O3 -","- C22 H12 Cl2 N3 O4 -","- C88 H48 Cl8 N12 O16 -","4","1","BM1017","Qi, F.; Yu, W.-T.; Hong, L.; Lin, X.-Y.; Yu, Z.-P.","The Charge-Transfer Complex 4-(2-Hydroxyethyl)carbazole‒2,3-Dichloro-5,6-dicyano-1,4-benzoquinone (1/1) (HEK‒DDQ)","Acta Crystallographica Section C","1996","52","9","2274","2277","10.1107/S0108270196002375","","","0.71073","MoKα","","","0.0614","","","0.064","","","","","1.588","1.588","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005326","9.543","0.004","10.279","0.001","12.231","0.005","90","","90","","90","","1199.8","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-amino-1-(2-deoxy-β-D-ribofuranosyl)-5,6,7-1H- cyclopentapyridine-2-one","","- C12 H17 N3 O4 -","- C12 H17 N3 O4 -","- C48 H68 N12 O16 -","4","1","BM1048","Neidle, S.; Capaldi, D. C.; Reese, C. B.; Roselt, P. D.","4-Amino-1-(2-deoxy-β-<small>D</small>-ribofuranosyl)-6,7-dihydro-1<i>H</i>,5<i>H</i>-cyclopentapyrimidine-2-one","Acta Crystallographica Section C","1996","52","9","2332","2334","10.1107/S0108270196002582","","","0.71073","MoKα","","0.059","0.0493","","0.1124","0.1103","","","","0.969","1.059","1.059","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005327","14.293","0.001","5.98","0.001","21.66","0.002","90","","106.58","0.04","90","","1774.4","0.5","295","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N2 Ni O S -","- C25 H9 N2 Ni O S -","- C100 H36 N8 Ni4 O4 S4 -","4","1","BM1052","Tahir, M. N.; Ülkü, D.; Atakol, O.; Kenar, A.","(Cyclohexylamine-<i>N</i>){2-[(2-thiophenyl)iminomethyl]phenolato-<i>O</i>,<i>N</i>,<i>S</i>}nickel(II)","Acta Crystallographica Section C","1996","52","9","2178","2180","10.1107/S0108270196006130","","","0.71073","MoKα","","","0.052","","","0.058","","","","","1.04","1.04","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005328","6.93","0.004","9.597","0.006","10.169","0.007","80.1","0.03","89.94","0.06","73.22","0.02","637","0.7","296","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C24 H34 N2 O6 -","2","1","BM1059","Hussain, M. S.; Ul-Haque, M.","<i>O</i>-Acetyl-<i>N</i>-(<i>o</i>-hydroxybenzyl)-<i>N</i>-isopropylhydroxylamine","Acta Crystallographica Section C","1996","52","9","2343","2345","10.1107/S0108270196003332","","","0.71073","MoKα","","","0.038","","","0.045","","","","","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005329","19.685","0.001","11.023","0.002","8.881","0.003","90","0.2","98.4","0.3","90","0.3","1906.4","1.6","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 Cl N3 O -","- C23 H18 Cl N3 O -","- C92 H72 Cl4 N12 O4 -","4","1","BM1067","Baouid, A.; Hasnaoui, A.; Benharref, A.; Giorgi, M.; Pierrot, M.","1-(4-Chlorophenyl)-3a-methyl-5-phenyl-3a,4-dihydro-1,2,4-oxadiazolo[4,5-<i>a</i>][1,5]benzodiazepine","Acta Crystallographica Section C","1996","52","9","2281","2282","10.1107/S0108270196004003","","","0.71073","Mo-Kα","","0.09","0.045","","","0.056","","","","","1.941","1.941","","","","","has coordinates,has Fobs","208377","2020-10-21","18:00:00",""
"2005330","7.326","0.001","12.868","0.001","14.098","0.001","90","","94.49","0.01","90","","1325","0.2","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2-aminoethyl)piperaziniumtetrachloroindium(III)","","- C6 H16 Cl4 In N3 -","- C6 H16 Cl4 In N3 -","- C24 H64 Cl16 In4 N12 -","4","1","BM1077","Chippindale, A. M.; Brech, S. J.; Cowley, A. R.; Chernega, A. N.","[<i>N</i>-(2-Amino-κ<i>N</i>-ethyl)piperaziniumyl-<i>N</i>^1^]tetrachloroindium(III)","Acta Crystallographica Section C","1996","52","9","2180","2183","10.1107/S0108270196006002","","","0.71073","MoKα","","","0.0211","","","0.0206","","","","","1.1659","1.1659","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005331","11.609","0.008","5.717","0.003","15.293","0.008","90","","92.63","0.05","90","","1013.9","1","240","2","240","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[3-(4-Methylphenyl)-5-isoxazolyl]acetonitrile","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C48 H40 N8 O4 -","4","1","BM1078","Kumar, N.; Mukherjee, S.; Parmar, V. S.; Errington, W.","[3-(4-Methylphenyl)-5-isoxazolyl]acetonitrile","Acta Crystallographica Section C","1996","52","9","2294","2296","10.1107/S010827019600491X","","","0.71073","MoKα","","0.0588","0.0501","","0.1532","0.1398","","","","1.041","1.058","1.058","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005332","9.686","0.003","17.512","0.004","15.47","0.005","90","","96.35","0.02","90","","2607.9","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H30 Mo N4 S7 -","- C15 H30 Mo N4 S7 -","- C60 H120 Mo4 N16 S28 -","4","1","BM1082","Coffey, T. A.; Forster, G. D.; Hogarth, G.","Tris(<i>N</i>,<i>N</i>-diethyldithiocarbamato-<i>S</i>,<i>S</i>')(thionitrosyl-<i>N</i>)molybdenum(III), [Mo(η^2^-S~2~CNEt~2~)~3~(NS)]","Acta Crystallographica Section C","1996","52","9","2157","2159","10.1107/S010827019600707X","","","0.71073","MoKα","","0.0623","0.041","","0.1033","0.0858","","","","0.979","1.006","1.006","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005333","5.364","0.008","12.148","0.009","7.922","0.004","90","","108.87","0.06","90","","488.5","0.9","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Trilanthanum Trichloride Pyrosilicate","","- Cl3 La3 O7 Si2 -","- Cl3 La3 O7 Si2 -","- Cl6 La6 O14 Si4 -","2","1","BR1087","Chen, J.-T.; Guo, G.-C.; Huang, J.-S.; Zhang, Q.-E.","La~3~(Si~2~O~7~)Cl~3~","Acta Crystallographica Section C","1996","52","9","2123","2125","10.1107/S010827019501506X","","","0.71073","MoKα","","","0.0605","","","0.0918","","","","","1.5","1.5","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005334","13.377","0.004","5.589","0.004","10.983","0.003","90","","100.61","0.02","90","","807.1","0.7","293","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Tetra Neodymium bis-Pyrosilicate Penta Vanadium Octa Oxygen","","- Nd4 O22 Si4 V5 -","- Nd4 O22 Si4 V5 -","- Nd8 O44 Si8 V10 -","2","0.25","BR1112","Chen, J.-T.; Guo, G.-C.; Zhuang, H.-H.; Huang, J.-S.; Zhang, Q.-E.","Nd~4~V~5~Si~4~O~22~","Acta Crystallographica Section C","1996","52","9","2125","2127","10.1107/S0108270195015058","","","0.71073","MoKα","","","0.0463","","","0.0585","","","","","1.17","1.17","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005335","13.4121","0.0001","13.6816","0.0001","13.8558","0.0001","90","","90","","90","","2542.53","0.03","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Cd O12 Rb2 Si5 -","- Cd O12 Rb2 Si5 -","- Cd8 O96 Rb16 Si40 -","8","1","BR1125","Bell, A. M. T.; Henderson, C. M. B.","Rietveld Refinement of the Orthorhombic <i>Pbca</i> Structures of Rb~2~CdSi~5~O~12~, Cs~2~MnSi~5~O~12~, Cs~2~CoSi~5~O~12~ , and Cs~2~NiSi~5~O~12~ Leucites by Synchrotron X-ray Powder Diffraction","Acta Crystallographica Section C","1996","52","9","2132","2139","10.1107/S0108270196003162","","","1.40285","synchrotron","","","0.073","","","0.165","","","","","0.903","0.903","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005336","13.6878","0.0003","13.7931","0.0003","13.7575","0.0003","90","","90","","90","","2597.38","0.1","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Cs2 Mn O12 Si5 -","- Cs2 Mn O12 Si5 -","- Cs16 Mn8 O96 Si40 -","8","1","BR1125","Bell, A. M. T.; Henderson, C. M. B.","Rietveld Refinement of the Orthorhombic <i>Pbca</i> Structures of Rb~2~CdSi~5~O~12~, Cs~2~MnSi~5~O~12~, Cs~2~CoSi~5~O~12~ , and Cs~2~NiSi~5~O~12~ Leucites by Synchrotron X-ray Powder Diffraction","Acta Crystallographica Section C","1996","52","9","2132","2139","10.1107/S0108270196003162","","","1.29969","synchrotron","","","0.126","","","0.14","","","","","1.019","1.019","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005337","13.6487","0.0004","13.712","0.0004","13.6828","0.0004","90","","90","","90","","2560.75","0.13","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Co Cs2 O12 Si5 -","- Co Cs2 O12 Si5 -","- Co8 Cs16 O96 Si40 -","8","1","BR1125","Bell, A. M. T.; Henderson, C. M. B.","Rietveld Refinement of the Orthorhombic <i>Pbca</i> Structures of Rb~2~CdSi~5~O~12~, Cs~2~MnSi~5~O~12~, Cs~2~CoSi~5~O~12~ , and Cs~2~NiSi~5~O~12~ Leucites by Synchrotron X-ray Powder Diffraction","Acta Crystallographica Section C","1996","52","9","2132","2139","10.1107/S0108270196003162","","","1.30138","synchrotron","","","0.059","","","0.128","","","","","0.821","0.821","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005338","13.6147","0.0003","13.6568","0.0005","13.6583","0.0005","90","","90","","90","","2539.53","0.14","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Cs2 Ni O12 Si5 -","- Cs2 Ni O12 Si5 -","- Cs16 Ni8 O96 Si40 -","8","1","BR1125","Bell, A. M. T.; Henderson, C. M. B.","Rietveld Refinement of the Orthorhombic <i>Pbca</i> Structures of Rb~2~CdSi~5~O~12~, Cs~2~MnSi~5~O~12~, Cs~2~CoSi~5~O~12~ , and Cs~2~NiSi~5~O~12~ Leucites by Synchrotron X-ray Powder Diffraction","Acta Crystallographica Section C","1996","52","9","2132","2139","10.1107/S0108270196003162","","","0.9982","synchrotron","","","0.057","","","0.091","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005339","23.608","0.008","6.825","0.009","5.4908","0.0013","90","","90","","90","","884.7","1.2","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","Caesium Chloride - di caesium - bis(tellurium di vanadium heptaoxide)","","- Cl Cs3 O14 Te2 V4 -","- Cl Cs3 O14 Te2 V4 -","- Cl2 Cs6 O28 Te4 V8 -","2","0.25","BR1139","Marrot, J.; Savariault, J.-M.","Tricaesium Ditellurium Tetravanadium Chloride Tetradecaoxide","Acta Crystallographica Section C","1996","52","9","2129","2132","10.1107/S0108270196003198","","","0.71069","MoKα","","0.0422","0.0407","","0.1011","0.1001","","","","1.196","1.199","1.199","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005340","5.33","0.02","9.6","0.05","7.18","0.05","90","","105.16","0.01","90","","355","3","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Deuterated copper flurosilicate tetrahydrate","","- Cu D8 F6 O4 Si -","- Cu D8 F6 O4 Si -","- Cu2 D16 F12 O8 Si2 -","2","0.5","BR1141","Chevrier, G.; Goukassov, A.","The Hydrogen-Bonding System in Deuterated Copper Fluorosilicate Tetrahydrate: a Neutron Diffraction Study","Acta Crystallographica Section C","1996","52","9","2121","2123","10.1107/S0108270196003927","","neutron","1.52","neutron","","","0.0647","","","0.0465","","","","","5.713","5.713","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005341","10.128","0.002","3.5707","0.0006","9.868","0.002","90","","90","","90","","356.87","0.12","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","hafniumphoshide","Trihafniumdiphosphide","","- Hf3 P2 -","- Hf3 P2 -","- Hf12 P8 -","4","0.5","BR1144","Kleinke, H.; Franzen, H. F.","The Binary Hafnium Phosphide Hf~3~P~2~","Acta Crystallographica Section C","1996","52","9","2127","2129","10.1107/S0108270196004969","","","0.71069","MoKα","","0.0428","0.0293","","0.0574","0.0548","","","","1.085","1.16","1.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005342","5.7712","0.0003","10.513","0.001","21.633","0.002","94.09","0.01","90.114","0.006","105.871","0.006","1258.97","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis[S-Methyl-β-N-(4-dimethylaminophenyl)methylenedithiocarbazido]- nickel(II).","","- C22 H28 N6 Ni S4 -","- C22 H28 N6 Ni S4 -","- C44 H56 N12 Ni2 S8 -","2","1","CF1065","Tian, Y.-P.; Duan, C.-Y.; Lu, Z.-L.; You, X.-Z.; Fun, H.-K.; Sivakumar, K.","Bis[methyl <i>N</i>^{β^}-(4-dimethylaminophenylmethylene)dithiocarbazato]nickel(II)","Acta Crystallographica Section C","1996","52","9","2150","2153","10.1107/S010827019600385X","","","0.71073","MoKα","","0.0546","0.0388","","0.1002","0.0944","","","","0.938","1.032","1.032","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005343","21.2695","0.001","10.376","0.002","12.054","0.002","90","","117.297","0.01","90","","2364","0.6","180","","180","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(1-(2-pyridyl)-2-(2-thienyl)ethyne-N)-bis(nitrato-O,O')-cobalt(II)","","- C22 H14 Co N4 O6 S2 -","- C22 H14 Co N4 O6 S2 -","- C88 H56 Co4 N16 O24 S8 -","4","0.5","CF1076","Kooijman, H.; Spek, A. L.; Neenan, T. X.; Driessen, W. L.","Bis(nitrato-<i>O</i>,<i>O</i>')bis{2-[2-(2-thienyl)ethynyl]pyridine-<i>N</i>}cobalt(II)","Acta Crystallographica Section C","1996","52","9","2191","2193","10.1107/S0108270196005008","","","0.71073","MoKα","","","0.0697","","0.1725","0.1725","","","","0.977","0.97","0.97","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005344","5.618","0.004","7.995","0.004","13.428","0.006","77.85","0.04","85.55","0.06","80.46","0.04","580.9","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","rel-(1S, 4R, 7R, 9S)-tetracyclo[5.4.1.0^4,12^.0^9,12^]dodec-10- enylacetic acid","","- C14 H18 O2 -","- C14 H18 O2 -","- C28 H36 O4 -","2","1","CF1078","Wang, J.; Thommen, M.; Keese, R.","A Substituted <i>cis</i>,<i>trans</i>,<i>cis</i>,<i>cis</i>-[4.5.5.5]Fenestrene","Acta Crystallographica Section C","1996","52","9","2311","2313","10.1107/S0108270196003861","","","0.71073","MoKα","","0.0639","0.0419","","0.1181","0.1029","","","","1.029","1.092","1.092","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005345","13.44","0.009","7.205","0.009","22.388","0.009","90","","92.36","0.01","90","","2166","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(η^5-trimethylsilylcyclopentadienyl)-diiodo-titanium(IV)","","- C16 H26 I2 Si2 Ti -","- C16 H26 I2 Si2 Ti -","- C64 H104 I8 Si8 Ti4 -","4","0.5","CF1088","Drew, M. G. B.; Delgado, E.; Hernandez, E.; Baker, P. K.; Mansilla, N.","Diiodobis(η^5^-trimethylsilylcyclopentadienyl)titanium(IV)","Acta Crystallographica Section C","1996","52","9","2168","2170","10.1107/S0108270196006221","","","0.7107","MoKα","","0.1449","0.0653","","0.2789","0.1948","","","","0.609","0.563","0.563","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005346","13.272","0.002","9.2251","0.001","17.2566","0.001","90","0.06","90.39","0.01","90","0.06","2112.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,10-dichloro-6-(2,4 dimethyl phenoxy)-dibenzo [d,g][1,3,6,2] dioxathiaphosphocin-6-oxide.","","- C20 H15 Cl2 O3 P S2 -","- C20 H15 Cl2 O3 P S2 -","- C80 H60 Cl8 O12 P4 S8 -","4","1","DE1030","Krishnaiah, M.; Kumar, N. J.; Narasaiah, T. V.; Reddy, B. S.; Reddy, C. D.","2,10-Dichloro-6-(2,4-dimethylphenoxy)dibenzo[<i>d</i>,<i>g</i>][1,3,6,2]dioxathiaphosphocine 6-Sulfide","Acta Crystallographica Section C","1996","52","9","2298","2301","10.1107/S0108270196004908","","","0.71069","MoKα","","0.0387","0.0359","","0.085","0.083","","","","1.095","1.097","1.097","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005347","8.407","0.002","9.181","0.002","10.95","0.003","69.03","0.01","68.57","0.02","77.71","0.01","731.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N,N,N',N'-Tetramethylethylenediammonium Dihydrogendiphosphate Dihydrate","","- C6 H24 N2 O9 P2 -","- C6 H24 N2 O9 P2 -","- C12 H48 N4 O18 P4 -","2","1","DU1151","Gharbi, A.; Charfi, M.; Jouini, A.","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediammonium Dihydrogendiphosphate Dihydrate","Acta Crystallographica Section C","1996","52","9","2246","2248","10.1107/S0108270196003356","","","0.71069","MoKα","","0.033","0.0277","","0.0786","0.0754","","","","1.051","1.074","1.074","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005348","8.243","0.002","9.079","0.001","12.039","0.001","92.93","0.01","93.31","0.01","104.466","0.008","869","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tris(1,4-butanediyldiammonium) bis(cyclotriphosphate) tetrahydrate ?","","- C12 H50 N6 O22 P6 -","- C12 H50 N6 O22 P6 -","- C12 H50 N6 O22 P6 -","1","0.5","DU1152","Thabet, H.; Jouini, A.","Tris(1,4-butanediyldiammonium) Bis(cyclotriphosphate) Tetrahydrate","Acta Crystallographica Section C","1996","52","9","2248","2250","10.1107/S0108270196002922","","","0.71069","MoKα","","0.0297","0.0263","","0.0766","0.0745","","","","1.076","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005349","11.085","0.003","11.678","0.004","8.995","0.004","112.98","0.03","87.85","0.03","104.9","0.02","1033.4","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1,6-Diammoniumhexane cyclohexaphosphate hexahydrate","","- C18 H66 N6 O24 P6 -","- C18 H66 N6 O24 P6 -","- C18 H66 N6 O24 P6 -","1","0.5","DU1153","Charfi, M.; Jouini, A.","1,6-Hexanediammonium <i>cyclo</i>-Hexaphosphate Hexahydrate","Acta Crystallographica Section C","1996","52","9","2250","2253","10.1107/S0108270196003344","","","0.71069","MoKα","","0.0432","0.0282","","0.0954","0.0709","","","","0.955","0.778","0.778","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005350","29.282","0.006","12.478","0.002","14.476","0.003","90","","107.43","0.03","90","","5046.4","1.9","198","2","198","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[{di-μ-nitrato-1:2κ^4^O-bis[(triphenylphosphine-P)copper(I)]}- μ-4,4'-bipyridyl-μ] Tetrahydrofuran Solvate","","- C27 H27 Cu N2 O4 P -","- C27 H27 Cu N2 O4 P -","- C216 H216 Cu8 N16 O32 P8 -","8","1","FG1111","Prest, P.-J.; Moore, J. S.","<i>catena</i>-Poly[{di-μ-nitrato-1:2κ^4^<i>O</i>-bis[(triphenylphosphine-<i>P</i>)copper(I)]}-μ-4,4'-bipyridyl-<i>N</i>:<i>N</i>'] Tetrahydrofuran Solvate","Acta Crystallographica Section C","1996","52","9","2176","2178","10.1107/S0108270196006087","","","0.71073","MoKα","","0.0662","0.0379","","0.1042","0.0907","","","","1.069","1.073","1.073","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005351","13.314","0.008","9.983","0.005","13.45","0.007","90","","117.63","0.02","90","","1583.8","1.5","158","2","158","2","","","","","","","","8","P 1 21 1","P 2yb","4","","2[1-(R)-(N,N-dimethylamino)-ethyl],2'[1-(R)(N,N-dimethylammonium)-ethyl] -1,1'(S,S)biferrocene trichloro(dimethylsulfoxide)platinate(II). ?","","- C30 H43 Cl3 Fe2 N2 O Pt S -","- C30 H43 Cl3 Fe2 N2 O Pt S -","- C60 H86 Cl6 Fe4 N4 O2 Pt2 S2 -","2","1","FG1112","Robinson, B. H.; Simpson, J.; Wilson, D. J.","1-(<i>R</i>)-{2-[1-(<i>R</i>)-(<i>N</i>,<i>N</i>-Dimethylamino)ethyl]-1,1'-(<i>S</i>,<i>S</i>)-biferrocen-2'-yl}ethyl-<i>N</i>,<i>N</i>-dimethylammonium Trichloro(dimethyl sulfoxide-<i>S</i>)platinate(II)","Acta Crystallographica Section C","1996","52","9","2196","2198","10.1107/S0108270196004118","","","0.71073","MoKα","","0.0621","0.0489","","0.1097","0.106","","","","0.941","1.024","1.024","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2005352","9.9019","0.0014","12.2972","0.0015","8.9716","0.0012","108.28","0.02","110.66","0.02","86.16","0.02","969.4","0.3","293","2","293","2","","","","","","","","6","P 1","P 1","1","","[1,1,1,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)3-oxa- 2,4-diolatopentane][N,N,N,N-tetramethylethylenediamine]copper(II)","","- C12 H16 Cu F12 N2 O3 -","- C12 H16 Cu F12 N2 O3 -","- C24 H32 Cu2 F24 N4 O6 -","2","2","FG1118","Hynes, R. C.; Willis, C. J.; Payne, N. C.","A Condensed Dialkoxide Complex of Copper(II), [(CH~3~)~2~NCH~2~CH~2~N(CH~3~)~2~]Cu[{OC(CF~3~)~2~}~2~O]","Acta Crystallographica Section C","1996","52","9","2173","2176","10.1107/S0108270196005811","","","0.71073","MoKα","","0.0552","0.0401","","0.1022","0.0936","","","","1.035","1.03","1.03","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005353","7.275","0.001","9.002","0.002","19.503","0.004","90","","100.61","0.01","90","","1255.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","ALENDRONATE","Monosodium 4-amino-1-hydroxy-1,1'-bisphosphonate, trihydrate (Alendronate)","","- C4 H18 N Na O10 P2 -","- C4 H18 N Na O10 P2 -","- C16 H72 N4 Na4 O40 P8 -","4","1","FG1158","Vega, D.; Baggio, R.; Garland, M. T.","Monosodium 4-Amino-1-hydroxy-1,1-butanediyldiphosphonate Trihydrate (Alendronate)","Acta Crystallographica Section C","1996","52","9","2198","2201","10.1107/S0108270196006105","","","0.71073","MoKα","","0.0316","0.0284","","0.0828","0.0744","","","","1.114","1.134","1.134","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005354","20.154","0.005","3.843","0.001","11.787","0.003","90","","90","","90","","912.9","0.4","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","2-Carboxy-4,5-benzotropone","2-Carboxy-4,5-benzocycloheptatrienone","","- C12 H8 O3 -","- C12 H8 O3 -","- C48 H32 O12 -","4","1","FG1171","Thompson, H. W.; Lalancette, R. A.; Coté, M. L.","2-Carboxy- and 2,7-Dicarboxy-4,5-benzotropone: Hydrogen-Bonding Patterns of a β-Keto Acid and a Related β-Keto 1,5-Diacid","Acta Crystallographica Section C","1996","52","9","2372","2376","10.1107/S0108270196004933","","","0.71073","MoKα","","0.0647","0.0531","","0.1229","0.1185","","","","0.985","1.096","1.096","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005355","7.191","0.007","9.912","0.005","14.43","0.009","90","","95.53","0.05","90","","1023.7","1.3","296","1","296","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2,7-Dicarboxy-4,5-benzotropone","2,7-Dicarboxy-4,5-benzocycloheptatrienone","","- C13 H8 O5 -","- C13 H8 O5 -","- C52 H32 O20 -","4","1","FG1171","Thompson, H. W.; Lalancette, R. A.; Coté, M. L.","2-Carboxy- and 2,7-Dicarboxy-4,5-benzotropone: Hydrogen-Bonding Patterns of a β-Keto Acid and a Related β-Keto 1,5-Diacid","Acta Crystallographica Section C","1996","52","9","2372","2376","10.1107/S0108270196004933","","","0.71073","MoKα","","0.0739","0.0544","","0.134","0.1252","","","","0.939","1.103","1.103","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005356","9.9062","0.001","9.838","0.001","24.061","0.003","90","","90","","90","","2344.9","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Cyclophosphamide","N,N-Bis(2-chloroethyl)-tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine-2-oxide","","- C7 H15 Cl2 N2 O2 P -","- C7 H15 Cl2 N2 O2 P -","- C56 H120 Cl16 N16 O16 P8 -","8","1","FG1178","Jones, P. G.; Thönnessen, H.; Fischer, A.; Neda, I.; Schmutzler, R.; Engel, J.; Kutscher, B.; Niemeyer, U.","The Anhydrous Racemate of the Carcinostatic Agent Cyclophosphamide and the Bicyclic Degradation Product 1-(2-Chloroethyl)tetrahydro-1<i>H</i>,5<i>H</i>-1,3,2-diazaphospholo[2,1-<i>b</i>][1,3,2]oxazaphosphorine 9-Oxide","Acta Crystallographica Section C","1996","52","9","2359","2363","10.1107/S0108270196004866","","","0.71073","MoKα","","0.0513","0.0351","","0.0901","0.0839","","","","0.971","1.069","1.069","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005357","10.58","0.002","10.021","0.002","10.779","0.002","90","","118.95","0.02","90","","1000","0.4","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-(2-chloroethyl)tetrahydro-1H,5H- [1.3.2]diazaphospholo[2.1-b][1.3.2]oxazaphosphorine 9-oxide","","- C7 H14 Cl N2 O2 P -","- C7 H14 Cl N2 O2 P -","- C28 H56 Cl4 N8 O8 P4 -","4","1","FG1178","Jones, P. G.; Thönnessen, H.; Fischer, A.; Neda, I.; Schmutzler, R.; Engel, J.; Kutscher, B.; Niemeyer, U.","The Anhydrous Racemate of the Carcinostatic Agent Cyclophosphamide and the Bicyclic Degradation Product 1-(2-Chloroethyl)tetrahydro-1<i>H</i>,5<i>H</i>-1,3,2-diazaphospholo[2,1-<i>b</i>][1,3,2]oxazaphosphorine 9-Oxide","Acta Crystallographica Section C","1996","52","9","2359","2363","10.1107/S0108270196004866","","","0.71073","MoKα","","0.0293","0.0278","","0.0753","0.0732","","","","1.077","1.081","1.081","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005358","8.956","0.002","10.322","0.002","5.905","0.002","101.04","0.02","95.46","0.02","68.42","0.02","498","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","","Acetone 4,4-Dimethyl-2-pyrazoline-5-one-3ylhydrazone","","- C8 H14 N4 O -","- C8 H14 N4 O -","- C16 H28 N8 O2 -","2","1","FG1180","Meyers, C. Y.; Lutfi, H. G.; Kolb, V. M.; Hou, Y.; Robinson, P. D.","Acetone 4,4-Dimethyl-5-oxo-2-pyrazolin-3-ylhydrazone","Acta Crystallographica Section C","1996","52","9","2367","2370","10.1107/S0108270196004428","","","0.71069","MoKα","","","0.045","","","0.052","","","","","1.93","1.93","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005359","12.298","0.001","15.685","0.002","27.851","0.004","90","","100.51","0.01","90","","5282.2","1.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorobis[1,2-bis-(diphenylphosphino)ethane]osmium(II) Hexafluorophosphate Dichoromethane Solvate","","- C53.5 H51 Cl4 F6 Os P5 -","- C53.5 H51 Cl4 F6 Os P5 -","- C214 H204 Cl16 F24 Os4 P20 -","4","1","FG1187","Lough, A. J.; Morris, R. H.; Schlaf, M.","Bis[1,2-bis(diphenylphosphino)ethane-<i>P</i>,<i>P</i>']chloroosmium(II) Hexafluorophosphate Dichloromethane Solvate","Acta Crystallographica Section C","1996","52","9","2193","2196","10.1107/S0108270196006208","","","0.71073","MoKα","","0.0577","0.034","","0.0797","0.0697","","","","1.042","1.054","1.054","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2005360","14.153","0.006","14.054","0.004","17.959","0.004","90","","102.9","0.02","90","","3482","2","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Racemic 1,1'-o-Xylylene-bis[3,5-dimethyl-hexahydro- s-triazine-2,4(1H,3H)-dione-6-spiro-9''-fluorene]","","- C42 H36 N6 O4 -","- C42 H36 N6 O4 -","- C168 H144 N24 O16 -","4","1","FG1188","Robinson, P. D.; Gong, Y.; Bausch, M. J.","Racemic α,α'-<i>o</i>-Xylylene-1,1'-bis[(3,5-dimethyl-5,6-dihydro-1,3,5-triazine-6-spiro-9'-fluorene)-2,4(1<i>H</i>,3<i>H</i>)-dione]","Acta Crystallographica Section C","1996","52","9","2337","2340","10.1107/S010827019600621X","","","0.71069","MoKα","","","0.063","","","0.056","","","","","1.57","1.57","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005361","9.969","0.002","15.883","0.001","19.369","0.002","90","","95.2","0.01","90","","3054.2","0.7","294","","294","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H30 O -","- C42 H30 O -","- C168 H120 O4 -","4","1","FG1189","Fu, T. Y.; Olovsson, G.; Scheffer, J. R.; Trotter, J.","9,10,12,14-Tetrahydro-12,12,14,14-tetraphenyl-9,10[3',4']-furanoanthracene","Acta Crystallographica Section C","1996","52","9","2347","2349","10.1107/S0108270196006245","","","1.5418","CuKα","","","0.039","","","0.035","","","","","1.85","1.85","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005362","11.798","0.003","10.259","0.003","13.326","0.004","90","","92.38","0.07","90","","1611.5","0.8","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7.5 H22.5 Cl0.5 Mo2 O9.5 -","- C7.51 H22.53 Cl0.49 Mo2 O9.51 -","- C30.04 H90.12 Cl1.96 Mo8 O38.04 -","4","1","FG1191","Clegg, W.; Elsegood, M. R. J.; Errington, R. J.; Bakri, R.","A 3:1 Disordered Solid Solution of Di-μ-methoxo-<i>O</i>:<i>O</i>-bis[trimethoxooxomolybdenum(VI)] and Di-μ-methoxo-<i>O</i>:<i>O</i>-bis[chlorodimethoxooxomolybdenum(VI)]","Acta Crystallographica Section C","1996","52","9","2145","2148","10.1107/S0108270196006257","","","0.71073","MoKα","","0.0394","0.0303","","0.0783","0.071","","","","1.122","1.125","1.125","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005363","9.743","0.002","11.574","0.002","12.184","0.002","79.89","0.02","69.17","0.02","81.32","0.02","1258.3","0.4","276","","","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H24 Cl Ni P S -","- C34 H19 Cl Ni P S -","- C68 H38 Cl2 Ni2 P2 S2 -","2","1","HA1150","Darkwa, J.; Milius, W.","(4-Chlorobenzenethiolato-<i>S</i>)(η^5^-cyclopentadienyl)(triphenylphosphine-<i>P</i>)nickel(II)","Acta Crystallographica Section C","1996","52","9","2159","2161","10.1107/S0108270196005896","","","0.71073","MoKα","","","0.0696","","","0.037","","","","","1.37","1.37","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005364","9.013","0.003","7.055","0.004","18.118","0.002","90","","98.51","0.02","90","","1139.4","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-saccharinperethanoic acid monohydrate","3-oxo-1,2-benzisothiazole-2(3H)-perethanoic acid monohydrate","","- C9 H9 N O7 S -","- C9 H6 N O7 S -","- C36 H24 N4 O28 S4 -","4","1","HA1157","Feeder, N.; Jones, W.","<i>N</i>-Saccharinperacetic Acid Monohydrate and <i>N</i>-Saccharinpentanoic Acid Monohydrate","Acta Crystallographica Section C","1996","52","9","2323","2326","10.1107/S0108270196003769","","","0.71069","MoKα","","0.0634","0.0466","","0.134","0.1222","","","","1.046","1.089","1.089","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005365","8.412","0.003","9.19","0.003","10.88","0.006","66.74","0.03","88.86","0.03","64.67","0.03","687.1","0.6","295","2","295","2","","","","","","","","5","P -1","-P 1","2","5-saccharinpentanoic acid monohydrate","3-oxo-1,2-benzisothiazole-2(3H)-pentanoic acid 1,1-dioxide monohydrate","","- C12 H15 N O6 S -","- C12 H12 N O6 S -","- C24 H24 N2 O12 S2 -","2","1","HA1157","Feeder, N.; Jones, W.","<i>N</i>-Saccharinperacetic Acid Monohydrate and <i>N</i>-Saccharinpentanoic Acid Monohydrate","Acta Crystallographica Section C","1996","52","9","2323","2326","10.1107/S0108270196003769","","","0.71073","MoKα","","0.0627","0.0455","","0.1473","0.1344","","","","1.121","1.172","1.172","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005366","8.248","0.003","9.593","0.003","10.943","0.003","90","","99.48","0.01","90","","854","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2R,3S)-3-benzamido-3-methoxycarbonylbicyclo[2.2.2]octane-2-carboxylic acid","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C36 H42 N2 O10 -","2","1","HA1159","Buñuel, E.; Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.","A New Conformationally Restricted Aspartic Acid Analogue with a Bicyclo[2.2.2]octane Skeleton","Acta Crystallographica Section C","1996","52","9","2292","2294","10.1107/S0108270196004696","","","0.71073","MoKα","","0.0623","0.044","","0.1134","0.1019","","","","1.062","1.084","1.084","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005367","20.345","0.003","10.316","0.002","6.482","0.001","90","","90","","90","","1360.4","0.4","295.2","","295.2","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H15 Br2 N O2 -","- C11.5 H13.5 Br2 N0.5 O2 -","- C46 H54 Br8 N2 O8 -","4","0.5","HA1163","Beddoes, R. L.; Zhao, Y.; Joule, J. A.","3a,7a-Dibromo-2-butyl-4,7-methano-1,3,3a,4,7,7a-hexahydro-2<i>H</i>-isoindole-1,3-dione from the Reaction of 3,4-Dibromo-1-butylmaleimide with Cyclopentadiene","Acta Crystallographica Section C","1996","52","9","2313","2315","10.1107/S0108270196007950","","","0.7107","MoKα","","0.1223","0.0371","","0.0313","0.0245","","","","1.271","1.477","1.477","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005368","11.378","0.002","7.124","0.001","11.585","0.002","90","","101.7","0.8","90","","920","3","293","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H25 Co N2 O3 -","- C20 H25 Co N2 O3 -","- C40 H50 Co2 N4 O6 -","2","1","HU1052","Chen, H.; Han, D.; Yan, H.; Tang, W.; Yang, Y.; Yang, W.","Aqua[bis(salicylidene)ethylenediaminato](isobutyl)cobalt(III)","Acta Crystallographica Section C","1996","52","9","2204","2206","10.1107/S0108270196009134","","","0.71073","MoKα","","","0.053","","","0.067","","","","","1.24","1.24","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2005369","10.6713","0.0007","6.6936","0.0006","21.0352","0.0007","90","","100.776","0.004","90","","1476.04","0.17","153","","153","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Isopropylamidine hydrochloride","Isopropylamidine hydrochloride","","- C4 H11 Cl N2 -","- C4 H11 Cl N2 -","- C32 H88 Cl8 N16 -","8","2","HU1140","Barker, J.; Powell, H. R.","Isopropylamidinium Chloride","Acta Crystallographica Section C","1996","52","9","2307","2309","10.1107/S0108270196002843","","","1.5418","CopperKα","","","0.0368","","","0.0443","","","","","4.976","4.976","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005370","6.806","0.001","8.166","0.001","15.568","0.002","100.69","0.01","94.99","0.02","103.29","0.01","819.8","0.2","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 N O4 -","- C16 H25 N O4 -","- C32 H50 N2 O8 -","2","1","JZ1117","Beck, H.; Egert, E.","A Dihydrooxazinone","Acta Crystallographica Section C","1996","52","9","2253","2254","10.1107/S0108270196003873","","","0.71073","MoKα","","","0.067","","","0.057","","","","","1.58","1.58","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005371","13.734","0.002","8.281","0.001","6.53","0.001","90","","90","","90","","742.67","0.18","293","","","","","","","","","","","3","P m n 21","P 2ac -2","31","","","","- C18 H24 O3 -","- C18 H24 O3 -","- C36 H48 O6 -","2","0.5","JZ1118","Schormann, N.; Egert, E.","A Fully Cyclo-Substituted Cyclohexane","Acta Crystallographica Section C","1996","52","9","2254","2256","10.1107/S0108270196003885","","","0.71073","MoKα","","","0.049","","","0.056","","","","","1.21","1.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005372","13.651","0.001","23.91","0.003","27.883","0.002","90","","102.44","0.01","90","","8887.2","1.5","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H46 Co2 Mo2 O22 P6 -","- C26 H46 Co2 Mo2 O22 P6 -","- C208 H368 Co16 Mo16 O176 P48 -","8","2","JZ1119","Herbst-Irmer, R.; Egert, E.","An Mo~2~(CO)~4~ (Mo[tripleMo) Fragment Stabilized by a Tripod Ligand","Acta Crystallographica Section C","1996","52","9","2161","2164","10.1107/S0108270196004076","","","0.71073","MoKα","","","0.042","","","0.049","","","","","2.08","2.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005373","7.577","0.001","22.058","0.003","15.098","0.002","90","","90","","90","","2523.4","0.6","293","1","293","1","","","","","","","","6","P b c n","-P 2n 2ab","60","","trans-dichlorotetra(pyridine)molybdenum(III) tribromide","","- C20 H20 Br3 Cl2 Mo N4 -","- C20 H20 Br3 Cl2 Mo N4 -","- C80 H80 Br12 Cl8 Mo4 N16 -","4","0.5","JZ1125","Rotar, R.; Leban, I.; Brenčič, J. V.","<i>trans</i>-Dichlorotetrakis(pyridine-<i>N</i>)molybdenum(III) Tribromide","Acta Crystallographica Section C","1996","52","9","2155","2157","10.1107/S0108270196005628","","","0.71073","MoKα","","0.119","0.0525","","0.1327","0.1052","","","","1.024","1.117","1.117","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005374","6.283","0.001","22.113","0.002","9.691","0.002","90","","91.1","0.01","90","","1346.2","0.4","294","","294","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","E-2,2,5,5-Tetramethyl-3,4-di[4-(tribromomethyl)phenyl]hex-3-ene","","- C24 H26 Br6 -","- C30 H44 Br6 -","- C60 H88 Br12 -","2","0.5","KA1154","Gano, J. E.; Kirschbaum, K.; Sekher, P.","(<i>E</i>)-2,2,5,5-Tetramethyl-3,4-bis[4-(tribromomethyl)phenyl]hex-3-ene","Acta Crystallographica Section C","1996","52","9","2334","2337","10.1107/S0108270196001576","","","0.71073","Mo-Kα","","0.181","0.056","","","0.061","","","","","1.732","1.732","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005375","6.419","0.001","13.34","0.002","24.701","0.002","90","","90","","90","","2115.1","0.5","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(6-Methoxy-7-methyl-1,2,3,4-tetrahydro-naphthalene-1-yl)ethyl 4,7,7-trimethyl-3-oxo-2-oxa-bicyclo[2.2.1]heptane-1-carboxylate","","- C24 H32 O5 -","- C24 H32 O5 -","- C96 H128 O20 -","4","1","KA1161","Noltemeyer, M.; Raschke, T.; Tietze, L. F.","2-(6-Methoxy-7-methyl-1,2,3,4-tetrahydro-1-naphthyl)ethyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate","Acta Crystallographica Section C","1996","52","9","2256","2258","10.1107/S0108270196004167","","","0.71073","MoKα","","0.0356","0.032","","0.0818","0.0776","","","","1.066","1.066","1.066","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005376","17.172","0.004","17.172","0.004","14.965","0.009","90","","90","","120","","3822","3","293","2","293","2","","","","","","","","3","P 61","P 61","169","Diester of 16α-hydroxy-prednisolone","21-Acetoxy-16α-propionoxy-11β,17α-dihydroxypregna-1,4-diene-3,20-dione monohydrate","","- C26 H36 O9 -","- C26 H36 O9 -","- C156 H216 O54 -","6","1","KA1173","Pniewska, B.; Anulewicz, R.; Uszycka-Horawa, T.","21-Acetoxy-16α-propionoxy-11β,17α-dihydroxypregna-1,4-diene-3,20-dione Monohydrate","Acta Crystallographica Section C","1996","52","9","2288","2290","10.1107/S0108270196002533","","","1.54178","CuKα","","0.095","0.058","","0.1678","0.1477","","","","1.005","1.109","1.109","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005377","6.8302","0.0008","12.164","0.001","23.846","0.004","90","","90","","90","","1981.2","0.4","295","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O3 -","- C22 H28 O3 -","- C88 H112 O12 -","4","1","KA1177","Steiner, Th.","17α-Ethynyl-19-nor-3-oxo-4-androsten-17β-yl Acetate (Norethindrone Acetate)","Acta Crystallographica Section C","1996","52","9","2261","2263","10.1107/S0108270196002417","","","1.54184","CuKα","","","0.059","","","0.156","","","","","1.09","1.09","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005378","8.55","0.001","12.189","0.001","20.979","0.002","90","","90","","90","","2186.3","0.4","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","16β-fluoro-17aβ-(4-nitroanilino)-3-methoxy-D-homoestra-1,3,5(10)-triene","","- C26 H31 F N2 O3 -","- C26 H31 F N2 O3 -","- C104 H124 F4 N8 O12 -","4","1","KA1183","Noltemeyer, M.; Tietze, L. F.; Wölfling, J.; Frank, É.; Schneider, G.","A Fluorinated <small>D</small>-Homoestrone Derivative","Acta Crystallographica Section C","1996","52","9","2258","2259","10.1107/S0108270196003897","","","0.71073","MoKα","","0.0591","0.0459","","0.1065","0.0967","","","","1.073","1.074","1.074","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005379","14.868","0.005","11.953","0.002","20.403","0.006","90","","90","","90","","3626","1.7","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Triphenylpropargylphosphonium bromide","","- C21 H18 Br P -","- C21 H18 Br P -","- C168 H144 Br8 P8 -","8","2","KA1184","Steiner, Th.","Triphenylpropargylphosphonium Bromide","Acta Crystallographica Section C","1996","52","9","2263","2266","10.1107/S0108270196004490","","","1.54176","CuKα","","0.0405","0.0295","","0.0827","0.068","","","","1.045","1.1","1.1","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005380","16.233","0.002","17.313","0.002","13.3","0.001","90","","90","","90","","3737.9","0.7","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4-Hydroxy-3-diethylphosphono-5-tert-butyl-phenyl)-bis-(diphenylphosphinyl)- methane","","- C39 H45 O7 P3 -","- C39 H45 O7 P3 -","- C156 H180 O28 P12 -","4","1","KA1188","Ramm, M.; Costisella, B.","Diethyl 5-Bis(diphenylphosphinoyl)methyl-2-hydroxy-3-<i>tert</i>-butylphenylphosphonate Hydrate at 173K","Acta Crystallographica Section C","1996","52","9","2305","2307","10.1107/S0108270196003903","","","1.54178","CuKα","","","0.044","","","0.059","","","","","2.274","2.274","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005381","4.8701","0.0002","11.046","0.001","23.877","0.004","90","","90","","90","","1284.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Gly-His hydrochloride dihydrate","Glycyl-L-histidinium Chloride dihydrate","","- C8 H17 Cl N4 O5 -","- C8 H17 Cl N4 O5 -","- C32 H68 Cl4 N16 O20 -","4","1","KA1193","Steiner, Th.","Glycyl-<small>L</small>-histidinium Chloride Dihydrate: an Unusual Histidine Conformation","Acta Crystallographica Section C","1996","52","9","2266","2269","10.1107/S0108270196004556","","","1.54176","CuKα","","0.0445","0.0383","","0.1357","0.0966","","","","1.095","1.1","1.1","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005382","9.1259","0.0008","21.802","0.001","9.0555","0.0009","90","","102.85","0.008","90","","1756.6","0.3","293","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C80 H92 N4 O16 -","4","1","KH1085","Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.","Coumarin 338","Acta Crystallographica Section C","1996","52","9","2363","2365","10.1107/S0108270196004362","","","1.54184","CuKα","","","0.052","","","0.087","","","","","2.3","2.3","","","","","has coordinates,has disorder","206251","2020-10-21","18:00:00",""
"2005383","9.552","0.004","9.552","0.004","36.413","0.009","90","","90","","90","","3322","2","293","2","","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C15 H23 N4 O6.5 -","- C15 H21 N4 O6.5 -","- C120 H168 N32 O52 -","8","1","KH1092","Hirayama, N.; Arai, H.; Kasai, M.","Structural Studies of Mitomycins. VIII. Mitomycin D Hydrate, C~15~H~18~N~4~O~5~.1.5H~2~O","Acta Crystallographica Section C","1996","52","9","2365","2367","10.1107/S0108270196004350","","","1.54184","CuKα","","","0.055","","","0.067","","","","","2.33","2.33","","","","","has coordinates","203832","2020-10-21","18:00:00",""
"2005384","8.707","0.001","12.106","0.002","14.704","0.004","92.03","0.01","91.55","0.01","96.86","0.01","1537.1","0.5","293","","","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H24 O2 -","- C18 H24 O2 -","- C72 H96 O8 -","4","2","LI1143","Zukerman-Schpector, J.; Caracelli, I.; Silva, Jnr, F.; Brocksom, T. J.","Structures of the Diels‒Alder Reaction Products of Thymoquinone and 1-Vinylcyclohexene. III. 5-Isopropyl-2-methyltricyclo[8.4.0.0^2,7^]tetradeca-4,9-diene-3,6-dione, C~18~H~24~O~2~","Acta Crystallographica Section C","1996","52","9","2354","2356","10.1107/S0108270196004210","","","0.71073","MoKα","","0.2065","0.0609","","0.1919","0.1273","","","","1.026","1.158","1.158","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005385","15.2841","0.0011","8.3869","0.0013","28.3216","0.0009","90","","102.104","0.014","90","","3549.7","0.6","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Bis[5,5-di(4'-methoxyphenyl)-3,3-dimethyl-2-tetrahydrofuranyl] ether.","","- C40 H46 O7 -","- C40 H46 O7 -","- C160 H184 O28 -","4","1","LI1146","Barnes, J. C.; Horspool, W. M.; Hynd, G.; Armesto, D.; Ramos, A.","Bis[5,5-bis(4-methoxyphenyl)-3,3-dimethyl-2-tetrahydrofuranyl] Ether","Acta Crystallographica Section C","1996","52","9","2296","2298","10.1107/S0108270196004088","","","0.71069","MoKα","","0.0785","0.0449","","0.1066","0.0967","","","","0.822","1.047","1.047","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005386","15.89","0.002","12.264","0.002","9.147","0.002","90","","93.9","0.02","90","","1778.4","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2(2-hydroxy-5,5-dimethylcyclohexan-1,3-dione)-5,5-dimethylcyclo- hexan-1,3-dionato caesium monohydrate","","- C16 H23 Cs O6 -","- C16 H22 Cs O6 -","- C64 H88 Cs4 O24 -","4","1","LI1149","Barnes, J. C.","Caesium 2-(2-Hydroxy-5,5-dimethyl-1,3-dioxo-2-cyclohexyl)-5,5-dimethyl-1,3-cyclohexanedionato(1‒) Monohydrate","Acta Crystallographica Section C","1996","52","9","2185","2188","10.1107/S0108270196007342","","","0.71069","MoKα","","0.0537","0.0505","","0.1303","0.1284","","","","1.071","1.101","1.101","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005387","9.092","0.001","9.849","0.001","10.428","0.001","68.9","0.01","69.39","0.01","72.67","0.01","799.62","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-methyl-2-(4-methylphenyl)-8-trifluoromethylimidazo[1,2-a][1,8] naphthyridine.","","- C19 H14 F3 N3 -","- C19 H14 F3 N3 -","- C38 H28 F6 N6 -","2","1","MU1237","Fun, H.-K.; Sivakumar, K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.","Substituted Imidazonaphthyridine Derivatives. I. C~19~H~14~F~3~N~3~, C~18~H~10~F~5~N~3~, C~18~H~11~ClF~3~N~3~ and C~18~H~11~BrF~3~N~3~","Acta Crystallographica Section C","1996","52","9","2231","2236","10.1107/S010827019600371X","","","0.71073","MoKα","","0.0628","0.0457","","0.1446","0.1352","","","","1.045","1.177","1.177","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005388","7.916","0.007","8.454","0.006","12.838","0.009","73.64","0.02","87.62","0.06","70.08","0.07","773.6","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(3,4-difluorophenyl)-6-methyl-8-trifluoromethylimidazo[1,2-a][1,8] naphthyridine.","","- C18 H10 F5 N3 -","- C18 H10 F5 N3 -","- C36 H20 F10 N6 -","2","1","MU1237","Fun, H.-K.; Sivakumar, K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.","Substituted Imidazonaphthyridine Derivatives. I. C~19~H~14~F~3~N~3~, C~18~H~10~F~5~N~3~, C~18~H~11~ClF~3~N~3~ and C~18~H~11~BrF~3~N~3~","Acta Crystallographica Section C","1996","52","9","2231","2236","10.1107/S010827019600371X","","","0.71073","MoKα","","0.1197","0.1027","","0.3248","0.305","","","","1.077","1.207","1.207","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005389","8.422","0.002","9.042","0.001","12.859","0.003","70.43","0.02","89.09","0.02","62.25","0.01","804.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-(4-chlorophenyl)-6-methyl-8-trifluoromethylimidazo[1,2-a][1,8] naphthyridine.","","- C18 H11 Cl F3 N3 -","- C18 H11 Cl F3 N3 -","- C36 H22 Cl2 F6 N6 -","2","1","MU1237","Fun, H.-K.; Sivakumar, K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.","Substituted Imidazonaphthyridine Derivatives. I. C~19~H~14~F~3~N~3~, C~18~H~10~F~5~N~3~, C~18~H~11~ClF~3~N~3~ and C~18~H~11~BrF~3~N~3~","Acta Crystallographica Section C","1996","52","9","2231","2236","10.1107/S010827019600371X","","","0.71073","MoKα","","0.0546","0.0416","","0.1191","0.1134","","","","1.019","1.133","1.133","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005390","8.557","0.001","8.954","0.001","12.957","0.001","70.12","0.01","72.27","0.01","63.19","0.01","819.62","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-(4-bromophenyl)-6-methyl-8-trifluoromethylimidazo[1,2,-a][1,8] naphthyridine.","","- C18 H11 Br F3 N3 -","- C18 H11 Br F2.97 N3 -","- C36 H22 Br2 F5.94 N6 -","2","1","MU1237","Fun, H.-K.; Sivakumar, K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.","Substituted Imidazonaphthyridine Derivatives. I. C~19~H~14~F~3~N~3~, C~18~H~10~F~5~N~3~, C~18~H~11~ClF~3~N~3~ and C~18~H~11~BrF~3~N~3~","Acta Crystallographica Section C","1996","52","9","2231","2236","10.1107/S010827019600371X","","","0.71073","MoKα","","0.0905","0.0523","","0.1444","0.1331","","","","0.927","1.138","1.138","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005391","8.041","0.001","13.567","0.001","15.03","0.001","93.52","0.001","97.32","0.001","105.93","0.01","1555.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6,8-dimethyl-2-(4-methoxyphenyl)imidazo[1,2-a]1,8-naphthyridine.","","- C19 H17 N3 O -","- C19 H17 N3 O -","- C76 H68 N12 O4 -","4","2","MU1239","Sivakumar, K.; Fun, H.-K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.","Substituted Imidazonaphthyridine Derivatives. II. C~19~H~17~N~3~O and C~24~H~19~N~3~O","Acta Crystallographica Section C","1996","52","9","2236","2239","10.1107/S0108270196003708","","","0.71073","MoKα","","0.1116","0.0589","","0.1807","0.1521","","","","0.894","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005392","8.435","0.001","7.146","0.001","31.823","0.003","90","","92","0.01","90","","1917","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-methoxyphenyl)-6-methyl-8-phenylimidazo[1,2-a][1,8]naphthyridine.","","- C24 H19 N3 O -","- C24 H19 N3 O -","- C96 H76 N12 O4 -","4","1","MU1239","Sivakumar, K.; Fun, H.-K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.","Substituted Imidazonaphthyridine Derivatives. II. C~19~H~17~N~3~O and C~24~H~19~N~3~O","Acta Crystallographica Section C","1996","52","9","2236","2239","10.1107/S0108270196003708","","","0.71073","MoKα","","0.0957","0.0482","","0.1433","0.117","","","","0.899","1.063","1.063","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005393","9.387","0.001","10.173","0.002","11.698","0.0001","110.36","0.01","91.83","0.01","103.34","0.01","1011.3","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1-diethylaminomethyl-6,8-dimethyl-2-(4-methylphenyl)imidazo[1,2-a][1,8] naphthyridine.","","- C24 H28 N4 -","- C24 H28 N4 -","- C48 H56 N8 -","2","1","MU1241","Sivakumar, K.; Fun, H.-K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.","Substituted Imidazonaphthyridine Derivatives. III. C~24~H~28~N~4~, C~24~H~28~N~4~O and C~23~H~25~BrN~4~","Acta Crystallographica Section C","1996","52","9","2239","2243","10.1107/S0108270196003745","","","0.71073","MoKα","","0.0591","0.0503","","0.1604","0.1526","","","","1.096","1.168","1.168","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005394","7.358","0.001","10.641","0.001","13.586","0.001","96.55","0.01","95.64","0.01","98.11","0.01","1039.13","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-diethylaminomethyl-6,8-dimethyl-2-(4-methoxyphenyl)imidazo[1,2-a][1,8] naphthyridine.","","- C24 H28 N4 O -","- C24 H28 N4 O -","- C48 H56 N8 O2 -","2","1","MU1241","Sivakumar, K.; Fun, H.-K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.","Substituted Imidazonaphthyridine Derivatives. III. C~24~H~28~N~4~, C~24~H~28~N~4~O and C~23~H~25~BrN~4~","Acta Crystallographica Section C","1996","52","9","2239","2243","10.1107/S0108270196003745","","","0.71073","MoKα","","0.0507","0.0383","","0.105","0.1001","","","","0.976","1.09","1.09","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005395","12.134","0.001","12.833","0.002","15.25","0.002","113.98","0.01","91.33","0.01","105.68","0.01","2064.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(4-bromophenyl)-1-diethylaminomethyl-6,8-dimethylimidazo[1,2-a][1,8] naphthyridine.","","- C23 H25 Br N4 -","- C23 H25 Br N4 -","- C92 H100 Br4 N16 -","4","2","MU1241","Sivakumar, K.; Fun, H.-K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.","Substituted Imidazonaphthyridine Derivatives. III. C~24~H~28~N~4~, C~24~H~28~N~4~O and C~23~H~25~BrN~4~","Acta Crystallographica Section C","1996","52","9","2239","2243","10.1107/S0108270196003745","","","0.71073","MoKα","","0.1118","0.058","","0.1829","0.1468","","","","1.029","1.177","1.177","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005396","4.495","0.004","19.982","0.012","7.822","0.004","90","","105.47","0.06","90","","677.1","0.8","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ammonium phosphoglycolate","","- C2 H8 N O6 P -","- C2 H8 N O6 P -","- C8 H32 N4 O24 P4 -","4","1","MU1249","Lis, T.","Ammonium Salts of Phosphoglycolic Acid (H~3~PG): NH~4~. H~2~PG, 3NH~4~. H~2~PG. HPG, 2NH~4~. HPG and 3NH~4~.PG.H~2~O at 150K","Acta Crystallographica Section C","1996","52","9","2326","2332","10.1107/S0108270196002624","","","0.71073","MoKα","","0.0404","0.0274","","0.0821","0.0776","","","","1.097","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005397","17.732","0.006","9.626","0.004","16.628","0.006","90","","93.18","0.03","90","","2833.8","1.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","triammonium bis(phosphoglycolate)","","- C4 H19 N3 O12 P2 -","- C4 H19 N3 O12 P2 -","- C32 H152 N24 O96 P16 -","8","1","MU1249","Lis, T.","Ammonium Salts of Phosphoglycolic Acid (H~3~PG): NH~4~. H~2~PG, 3NH~4~. H~2~PG. HPG, 2NH~4~. HPG and 3NH~4~.PG.H~2~O at 150K","Acta Crystallographica Section C","1996","52","9","2326","2332","10.1107/S0108270196002624","","","0.71073","MoKα","","0.0606","0.0297","","0.0922","0.0807","","","","1.018","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005398","13.202","0.005","8.072","0.003","13.792","0.005","90","","91.12","0.03","90","","1469.5","0.9","150","1","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diammonium phosphoglycolate","","- C2 H11 N2 O6 P -","- C2 H11 N2 O6 P -","- C16 H88 N16 O48 P8 -","8","2","MU1249","Lis, T.","Ammonium Salts of Phosphoglycolic Acid (H~3~PG): NH~4~. H~2~PG, 3NH~4~. H~2~PG. HPG, 2NH~4~. HPG and 3NH~4~.PG.H~2~O at 150K","Acta Crystallographica Section C","1996","52","9","2326","2332","10.1107/S0108270196002624","","","0.71073","MoKα","","0.0433","0.0309","","0.0879","0.0814","","","","1.069","1.103","1.103","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005399","7.318","0.004","14.086","0.005","9.657","0.004","90","","93.37","0.04","90","","993.7","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","triammonium phosphoglycolate hydrate","","- C2 H16 N3 O7 P -","- C2 H16 N3 O7 P -","- C8 H64 N12 O28 P4 -","4","1","MU1249","Lis, T.","Ammonium Salts of Phosphoglycolic Acid (H~3~PG): NH~4~. H~2~PG, 3NH~4~. H~2~PG. HPG, 2NH~4~. HPG and 3NH~4~.PG.H~2~O at 150K","Acta Crystallographica Section C","1996","52","9","2326","2332","10.1107/S0108270196002624","","","0.71073","MoKα","","0.0773","0.0335","","0.0971","0.0843","","","","1.004","1.1","1.1","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005400","6.362","0.003","7.512","0.003","17.258","0.008","94.55","0.04","96.81","0.05","104.59","0.04","787.4","0.6","295","","295","","","","","","","","","6","P -1","-P 1","2","","Bis(para-aminobenzoic acid)dichloro cadmium","","- C14 H14 Cd Cl2 N2 O4 -","- C14 H14 Cd Cl2 N2 O4 -","- C28 H28 Cd2 Cl4 N4 O8 -","2","1","MU1252","Le Fur, Y.; Masse, R.","Bis(<i>p</i>-aminobenzoic acid-<i>N</i>)dichlorocadmium(II)","Acta Crystallographica Section C","1996","52","9","2183","2185","10.1107/S0108270196003721","","","0.5608","AgKα","","0.025","0.025","","0.027","0.027","","","","0.81","0.81","0.81","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2005401","10.2145","0.0007","8.9516","0.0006","12.5214","0.0008","90","","96.77","0.006","90","","1136.93","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,4-Dimethyl-Pyridinium bis(6,7-dihydro-5H-1,4-dithiepin-2,3-dithiolato) Cuprate (III)","","- C17 H22 Cu N S8 -","- C17 H22 Cu N S8 -","- C34 H44 Cu2 N2 S16 -","2","0.5","MU1254","Fun, H.-K.; Sivakumar, K.; Zuo, J.-L.; You, F.; You, X.-Z.","1,4-Dimethylpyridinium Bis(6,7-dihydro-5<i>H</i>-1,4-dithiepine-2,3-dithiolato-<i>S</i>,<i>S</i>')cuprate(III)","Acta Crystallographica Section C","1996","52","9","2153","2155","10.1107/S0108270196003757","","","0.71073","MoKα","","0.0591","0.0449","","0.1332","0.1255","","","","0.957","1.044","1.044","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005402","14.654","0.001","14.385","0.001","15.897","0.001","90","","90","","90","","3351.1","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Tris(4-chlorophenyl)phosphine.","","- C18 H12 Cl3 P -","- C18 H12 Cl3 P -","- C144 H96 Cl24 P8 -","8","1","MU1256","bin Shawkataly, O.; Singh, J.; Fun, H.-K.; Sivakumar, K.","Tris(4-chlorophenyl)phosphine and Tris(4-fluorophenyl)phosphine","Acta Crystallographica Section C","1996","52","9","2243","2245","10.1107/S0108270196004337","","","0.71073","MoKα","","0.0784","0.0402","","0.1053","0.0931","","","","0.881","1.032","1.032","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005403","12.428","0.001","12.428","0.001","8.753","0.001","90","","90","","120","","1170.82","0.19","293","2","293","2","","","","","","","","4","P 31","P 31","144","","Tris(4-fluorophenyl)phosphine.","","- C18 H12 F3 P -","- C18 H12 F3 P -","- C54 H36 F9 P3 -","3","1","MU1256","bin Shawkataly, O.; Singh, J.; Fun, H.-K.; Sivakumar, K.","Tris(4-chlorophenyl)phosphine and Tris(4-fluorophenyl)phosphine","Acta Crystallographica Section C","1996","52","9","2243","2245","10.1107/S0108270196004337","","","0.71073","MoKα","","0.0607","0.0359","","0.0791","0.0723","","","","0.907","1.059","1.059","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005404","21.33","0.001","5.4002","0.0001","26.232","0.002","90","","112.447","0.009","90","","2792.6","0.3","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 N2 O4 S2 -","- C31 H32 N2 O4 S2 -","- C124 H128 N8 O16 S8 -","4","1","NA1212","Feigel, M.; Strassner, Th.; Manero, J.; Weckert, E.","4,4'-Bis(2,4,6-trimethylbenzenesulfonamido)diphenylmethane","Acta Crystallographica Section C","1996","52","9","2303","2305","10.1107/S0108270196002016","","","1.5405","CuKα","","","0.051","","","0.054","","","","","1.66","1.66","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005405","14.467","0.002","7.391","0.004","11.868","0.003","90","","90","","90","","1269","0.8","292","","292","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Methacryloylcholine iodide","","- C9 H18 I N O2 -","- C9 H18 I N O2 -","- C36 H72 I4 N4 O8 -","4","0.5","NA1215","Angelova, O.; Macícek, J.; Kossev, K.; Koseva, N.","Trimethyl[2-(2-methyl-2-propenoyloxy)ethyl]ammonium Iodide (Methacryloylcholine Iodide)","Acta Crystallographica Section C","1996","52","9","2216","2218","10.1107/S0108270196002855","","","0.71073","MoKα","","0.031","0.026","","0.059","0.041","","","","1.378","0.979","0.979","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005406","11.13","0.004","13.028","0.004","24.74","0.02","90","","90","","90","","3587","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 2,7,7-Trimethyl-4(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolyl- 3-carboxylate","","- C20 H22 N2 O5 -","- C20 H22 N2 O5 -","- C160 H176 N16 O40 -","8","1","NA1225","Morales, A. D.; García-Granda, S.; Navarro, M. S.; Diviú, A. M.; Pérez-Barquero, R. E.","Methyl 2,7,7-Trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate and 3-Acetyl-2,7,7-trimethyl-4-phenyl-1,4,5,6,7,8-hexahydro-5-quinolone","Acta Crystallographica Section C","1996","52","9","2356","2359","10.1107/S0108270196004611","","","0.71073","MoKα","","0.1638","0.0502","","0.1492","0.1132","","","","1.037","1.167","1.167","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005407","11.046","0.005","12.7318","0.0008","12.944","0.005","90","","106.68","0.03","90","","1743.8","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Ethanoyl-2,7,7-trimethyl-4-phenyl-1,4,5,6,7,8-hexahydro-5-quinolone","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C80 H92 N4 O8 -","4","1","NA1225","Morales, A. D.; García-Granda, S.; Navarro, M. S.; Diviú, A. M.; Pérez-Barquero, R. E.","Methyl 2,7,7-Trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate and 3-Acetyl-2,7,7-trimethyl-4-phenyl-1,4,5,6,7,8-hexahydro-5-quinolone","Acta Crystallographica Section C","1996","52","9","2356","2359","10.1107/S0108270196004611","","","0.71073","MoKα","","0.3249","0.0591","","0.1894","0.1172","","","","0.962","1.232","1.232","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005408","17.242","0.004","15.244","0.003","11.406","0.005","90","","90","","90","","2997.9","1.6","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","rac.-1,10-Dimethyl-1,10-bis-(tert.-butyldimethylsilyloxy)-cyclododeca- 2,8-diyne","","- C26 H48 O2 Si2 -","- C26 H48 O2 Si2 -","- C104 H192 O8 Si8 -","4","0.5","NA1231","Boss, C.; Keese, R.; Förtsch, M.","Racemic 3,6-Dimethyl-3,6-bis(<i>tert</i>-butyldimethylsilyloxy)-1,7-cyclododecadiyne","Acta Crystallographica Section C","1996","52","9","2370","2372","10.1107/S0108270196004891","","","0.71069","MoKα","","0.1019","0.0435","","0.1454","0.118","","","","1.091","1.206","1.206","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005409","8.6202","0.0003","20.154","0.001","21.0425","0.0009","73.497","0.004","89.067","0.003","79.781","0.004","3447.3","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","cis-2-sec-Butyl-4-[4-(4-{4-[2-(2,4-dichlorophenyl)- 2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-ylmethoxy]phenyl}- piperazin-1-yl)phenyl]-2,4-dihydro-1,2,4-triazol-3-one","","- C35 H38 Cl2 N8 O4 -","- C39 H47 Cl2 N8 O4 -","- C156 H188 Cl8 N32 O16 -","4","2","NA1232","Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","<i>cis</i>-2-<i>sec</i>-Butyl-4-{4-[4-(4-{[2-(2,4-dichlorophenyl)-2-(1<i>H</i>-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-1-piperazinyl]phenyl}-2,4-dihydro-3<i>H</i>-1,2,4-triazol-3-one (Itraconazole)","Acta Crystallographica Section C","1996","52","9","2225","2229","10.1107/S0108270196004180","","","1.54184","CuKα","","0.1151","0.0594","","0.2","0.1461","","","","1.02","1.026","1.026","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005410","7.603","0.001","11.701","0.002","14.434","0.002","90","","101.17","0.01","90","","1259.8","0.3","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","bis[bis(2-pyridyl)sulphide]palladium(II) bis(tetrafluoroborate)","","- C20 H16 B2 F8 N4 Pd S2 -","- C20 H16 B2 F8 N4 Pd0.5 S2 -","- C40 H32 B4 F16 N8 Pd S4 -","2","0.5","NA1236","Nicolò, F.; Bruno, G.; Tresoldi, G.","Bis[bis(2-pyridyl-<i>N</i>) sulfide]palladium(II) Bis(tetrafluoroborate)","Acta Crystallographica Section C","1996","52","9","2188","2191","10.1107/S010827019600604X","","","0.71073","MoKα","","0.0465","0.0272","","0.0359","0.0314","","","","","1.48","1.48","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2005411","8.366","0.002","11.066","0.002","14.562","0.002","90","","90","","90","","1348.1","0.4","292","","292","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Phenylglycinium hydrogen squarate monohydrate","","- C12 H13 N O7 -","- C12 H13 N O7 -","- C48 H52 N4 O28 -","4","1","NA1238","Angelova, O.; Petrova, R.; Radomirska, V.; Kolev, T.","Crystalline Complexes Involving Amino Acids. II. (<i>R</i>)-({-})-1-Phenylglycinium Hydrogen Squarate Monohydrate","Acta Crystallographica Section C","1996","52","9","2218","2220","10.1107/S0108270196006452","","","0.71073","MoKα","","0.08","0.045","","0.081","0.057","","","","1.557","1.112","1.112","","","","","has coordinates","191095","2020-10-21","18:00:00",""
"2005412","8.925","0.004","23.48","0.012","8.049","0.003","90","","96.36","0.03","90","","1676.4","1.3","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","trans-1,4-dimethyl-7,7-diphenylbicyclo[4.1.0]hepta-2,5-dione","","- C21 H20 O2 -","- C21 H20 O2 -","- C84 H80 O8 -","4","1","OA1000","Moriwaki, H.; Kawamoto, T.; Oshima, T.","Half-Chair Conformation of <i>trans</i>-1,4-Dimethyl-7,7-diphenylbicyclo[4.1.0]hepta-2,5-dione","Acta Crystallographica Section C","1996","52","9","2269","2271","10.1107/S0108270196003435","","","0.71073","MoKα","","","0.0699","","","0.0709","","","","","0.81","0.81","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005413","18.056","0.003","15.446","0.002","15.452","0.002","103.159","0.005","112.994","0.005","99.352","0.005","3707.8","0.9","293","2","293","2","","","","","","","","3","P 1","P 1","1","β-Cyclodextrin-nonanoic acid complex","cyclomaltoheptaose-nonanoic acid complex","","- C98.4 H216.6 O97.1 -","- C98.4 H92 O97.08 -","- C98.4 H92 O97.08 -","1","1","PA1218","Rontoyianni, A.; Mavridis, I. M.","β-Cyclodextrin Nonanoic Acid 1:1 Complex","Acta Crystallographica Section C","1996","52","9","2277","2281","10.1107/S0108270196002156","","","0.71069","MoKαNb-filtered","","0.127","0.0783","","0.2939","0.2069","","","","1.094","0.978","0.978","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005414","11.358","0.004","16.352","0.006","12.999","0.005","90","","101.56","0.01","90","","2365.3","1.5","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dibutyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","","- C23 H30 N2 O6 -","- C23 H30 N2 O6 -","- C92 H120 N8 O24 -","4","1","PA1223","Rowan, K. R.; Holt, E. M.","Dibutyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, Diisobutyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate and Di-<i>tert</i>-butyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section C","1996","52","9","2207","2212","10.1107/S0108270196003551","","","0.71073","MoKα","","0.1461","0.056","","0.1027","0.0612","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005415","9.715","0.001","10.932","0.001","12.501","0.001","99.29","0.01","97.27","0.01","116.35","0.01","1144.2","0.2","298","","298","","","","","","","","","4","P -1","-P 1","2","","Di-isobutyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","","- C23 H30 N2 O6 -","- C23 H30 N2 O6 -","- C46 H60 N4 O12 -","2","1","PA1223","Rowan, K. R.; Holt, E. M.","Dibutyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, Diisobutyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate and Di-<i>tert</i>-butyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section C","1996","52","9","2207","2212","10.1107/S0108270196003551","","","0.71073","MoKα","","0.0776","0.0574","","0.2092","0.1595","","","","1.047","1.113","1.113","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005416","11.142","0.001","16.803","0.002","13.384","0.001","90","","109.9","0.01","90","","2356.1","0.4","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Di-tertbutyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","","- C23 H30 N2 O6 -","- C23 H30 N2 O6 -","- C92 H120 N8 O24 -","4","1","PA1223","Rowan, K. R.; Holt, E. M.","Dibutyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, Diisobutyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate and Di-<i>tert</i>-butyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section C","1996","52","9","2207","2212","10.1107/S0108270196003551","","","0.71073","MoKα","","0.1042","0.0542","","0.1535","0.1209","","","","1.035","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005417","6.778","0.001","10.451","0.001","11.618","0.001","91.34","0.01","98.88","0.01","97.51","0.01","805.35","0.16","298","","298","","","","","","","","","5","P -1","-P 1","2","","(E)-3-[2-(4-chlorophenylsulfonyl) Ethenyl]-6-chloro-4H-1-benzopyran-4-one","","- C17 H10 Cl2 O4 S -","- C17 H10 Cl2 O4 S -","- C34 H20 Cl4 O8 S2 -","2","1","PA1224","Raju, K. V. N.; Krishnaiah, M.; Chen, Y.-S.; Rao, S. N.; Holt, E. M.","(<i>E</i>)-6-Chloro-3-[2-(4-chlorophenylsulfonyl)ethenyl]-4-chromanone, (<i>E</i>)-6-Bromo-3-[2-(4-bromophenylsulfonyl)ethenyl]-4-chromanone and (<i>E</i>)-3-[2-(4-Chlorophenylsulfonyl)ethenyl]-6-methoxy-4-chromanone","Acta Crystallographica Section C","1996","52","9","2212","2215","10.1107/S0108270196003563","","","0.71073","MoKα","","","0.0308","","","0.0429","","","","","1.14","1.14","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005418","6.761","0.001","10.719","0.001","11.744","0.001","91.2","0.01","99.1","0.01","97.71","0.01","832.02","0.17","298","","298","","","","","","","","","5","P -1","-P 1","2","","(E)-3-[2-(4-Bromophenylsulfonyl) ethenyl]-6-bromo-4H-1-benzopyran-4- one","","- C17 H10 Br2 O4 S -","- C17 H10 Br2 O4 S -","- C34 H20 Br4 O8 S2 -","2","1","PA1224","Raju, K. V. N.; Krishnaiah, M.; Chen, Y.-S.; Rao, S. N.; Holt, E. M.","(<i>E</i>)-6-Chloro-3-[2-(4-chlorophenylsulfonyl)ethenyl]-4-chromanone, (<i>E</i>)-6-Bromo-3-[2-(4-bromophenylsulfonyl)ethenyl]-4-chromanone and (<i>E</i>)-3-[2-(4-Chlorophenylsulfonyl)ethenyl]-6-methoxy-4-chromanone","Acta Crystallographica Section C","1996","52","9","2212","2215","10.1107/S0108270196003563","","","0.71073","MoKα","","","0.043","","","0.0484","","","","","1.18","1.18","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005419","39.053","0.013","6.7","0.002","13.471","0.005","90","","106.62","0.03","90","","3378","2","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(E)-3-[2-(4-chlorophenylsulfonyl) ethenyl]-6-methoxy-4H-1-benzopyran-4- one","","- C18 H13 Cl O5 S -","- C18 H13 Cl O5 S -","- C144 H104 Cl8 O40 S8 -","8","1","PA1224","Raju, K. V. N.; Krishnaiah, M.; Chen, Y.-S.; Rao, S. N.; Holt, E. M.","(<i>E</i>)-6-Chloro-3-[2-(4-chlorophenylsulfonyl)ethenyl]-4-chromanone, (<i>E</i>)-6-Bromo-3-[2-(4-bromophenylsulfonyl)ethenyl]-4-chromanone and (<i>E</i>)-3-[2-(4-Chlorophenylsulfonyl)ethenyl]-6-methoxy-4-chromanone","Acta Crystallographica Section C","1996","52","9","2212","2215","10.1107/S0108270196003563","","","0.71073","MoKα","","","0.0687","","","0.1612","","","","","1.14","1.14","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005421","14.907","0.007","10.506","0.004","12.518","0.003","90","","104.07","0.03","90","","1901.7","1.3","294","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 Br N3 S -","- C7 H8 Br N3 S -","- C56 H64 Br8 N24 S8 -","8","2","PT1014","Seth, S.; Biswas, A.; Banerjee, A.; Chattopadhyay, S. K.; Ghosh, S.","Biological Activity of 4-(4-Bromophenyl)thiosemicarbazide","Acta Crystallographica Section C","1996","52","9","2377","2379","10.1107/S0108270195011000","","","1.54182","CuKα","","","0.056","","","0.058","","","","","1.01","1.01","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005422","10.917","0.004","7.933","0.005","23.137","0.002","90","","99.93","0.01","90","","1973.8","1.5","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 Cl O3 -","- C25 H17 Cl O3 -","- C100 H68 Cl4 O12 -","4","1","PT1027","Murugesan, R.; Selladurai, S.; Subramaniam, K.; Velmurugan, D.; Hamilton, J. R.; Chen, Y.-S.; Schapiro, P. J.; Rao, S. N.","4-(4-Chlorophenyl)-2,6-diphenyl-(4<i>H</i>)-pyran-3,5-dicarbaldehyde","Acta Crystallographica Section C","1996","52","9","2318","2320","10.1107/S0108270196003204","","","1.54184","CuKα","","","0.064","","","0.065","","","","","1.265","1.265","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005423","9.553","0.009","19.2","0.03","18.607","0.018","90","","101.76","0.07","90","","3341","7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C168 H144 N16 O16 -","8","4","SK1003","Alcock, N. W.; Clase, H. J.; Willey, G. R.; Daly, L. T.","Packing of Four Independent Molecules: 1-Methyl-<i>N</i>,<i>N</i>'-bis(salicylidene)-2,4-phenylenediamine","Acta Crystallographica Section C","1996","52","9","2340","2343","10.1107/S0108270196002272","","","0.71073","MoKα","","0.2251","0.1058","","0.4","0.2846","","","","0.998","1.362","1.362","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2005424","7.671","0.001","20.414","0.002","8.326","0.002","90","","112.39","0.02","90","","1205.5","0.4","295","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C10 H14 N6 -","- C10 H14 N6 -","- C40 H56 N24 -","4","1","SK1005","Küçükbay, H.; Çetinkaya, E.; Ülkü, D.; Tahir, M. N.","(1<i>E</i>,3<i>Z</i>,5<i>E</i>)-2,5-Diaza-1,6-bis(dimethylamino)-1,3,5-hexatriene-3,4-dicarbonitrile","Acta Crystallographica Section C","1996","52","9","2271","2272","10.1107/S0108270196004453","","","0.71073","MoKα","","","0.045","","","0.043","","","","","0.76","0.76","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005425","7.7989","0.0004","8.066","0.0011","7.8631","0.001","90","","116.336","0.013","90","","443.3","0.1","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","diisopropylammonium bromide","diisopropylammonium bromide","","- C6 H16 Br N -","- C6 H16 Br N -","- C12 H32 Br2 N2 -","2","1","SK1006","Kociok-Köhn, G.; Lungwitz, B.; Filippou, A. C.","Diisopropylammonium Bromide","Acta Crystallographica Section C","1996","52","9","2309","2311","10.1107/S010827019600354X","","","0.71073","MoKα","","0.0337","0.022","","0.0468","0.0436","","","","1.02","1.046","1.046","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005426","16.757","0.002","11.099","0.002","20.165","0.002","90","","110.73","0.01","90","","3507.6","0.9","211","2","211","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5-(1,3,5-Tri-tert.-butyl-4-hydroxybenzyl)-1,3,5,tri-tert.-butyl-2-oxo- bicyclo[4.1.0]hept-3-en","","- C38 H62 O2 -","- C38 H62 O2 -","- C152 H248 O8 -","4","1","SK1019","Rieker, A.; Neumayer, M.; Hiller, W.","1,3,5-Tri-<i>tert</i>-butyl-5-(1,3,5-tri-<i>tert</i>-butyl-4-oxo-2,5-cyclohexadienyl)methylbicyclo[4.1.0]hept-3-en-2-one, a Highly Hindered Propane","Acta Crystallographica Section C","1996","52","9","2351","2353","10.1107/S0108270196004465","","","0.71073","MoKα","","0.0923","0.0451","","0.1137","0.094","","","","1.011","1.059","1.059","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005427","11.4291","0.0008","13.6877","0.0009","15.488","0.001","89.588","0.002","84.336","0.002","68.014","0.002","2234.6","0.3","294","1","","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H60 I22 N8 O4 Sb6 -","- C32 I22 N8 O4 Sb6 -","- C32 I22 N8 O4 Sb6 -","1","0.5","SZ1036","Smyth, M. V.; Bailey, R. D.; Pennington, W. T.","Tetrakis(2,3,5,6-tetramethylpyrazinium) Tetra-μ~3~-iodo-hexa-μ-iodo-dodecaiodohexaantimonate(4‒) Tetrahydrate","Acta Crystallographica Section C","1996","52","9","2170","2173","10.1107/S0108270196006038","","","0.71073","MoKα","","","0.0633","","","0.0809","","","","","2.54","2.54","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005428","9.897","0.002","13.746","0.002","10.436","0.002","90","","99.81","0.02","90","","1399","0.4","294","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H48 Fe N6 P4 -","- C20 H48 Fe N6 P4 -","- C40 H96 Fe2 N12 P8 -","2","0.5","TA1025","Field, L. D.; George, A. V.; Pike, S. R.; Buys, I. E.; Hambley, T. W.","<i>trans</i>-Diazidobis[1,2-bis(diethylphosphino)ethane-<i>P</i>,<i>P</i>']iron(II)","Acta Crystallographica Section C","1996","52","9","2164","2166","10.1107/S0108270195008882","","","0.7109","MoKα","","","0.05","","","0.058","","","","","2.26","2.26","","","","","has coordinates,has disorder","199470","2020-10-21","18:00:00",""
"2005429","7.238","0.002","8.881","0.002","6.14","0.001","99.81","0.02","112.84","0.02","99.81","0.02","346.05","0.16","293.2","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H6 Co N6 Na O8 -","- C10 H6 Co N6 Na O8 -","- C10 H6 Co N6 Na O8 -","1","0.5","TA1045","Sharma, R. P.; Bhasin, K. K.; Tiekink, E. R. T.","Sodium Dinitritobis(pyrazine-2-carboxylato-<i>N</i>,<i>O</i>)cobaltate(III)","Acta Crystallographica Section C","1996","52","9","2140","2141","10.1107/S0108270195009322","","","0.7107","MoKα","","0.0339","0.0339","","0.0263","0.0283","","","","1.791","1.791","1.791","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005430","10.941","0.003","17.658","0.005","13.516","0.002","90","","110.4","0.02","90","","2447.5","1.1","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Cl3 N2 Sn -","- C25 H21 Cl3 N2 Sn -","- C100 H84 Cl12 N8 Sn4 -","4","1","TA1046","Hall, V. J.; Tiekink, E. R. T.","Benzyltrichloro(1,10-phenanthroline-<i>N</i>,<i>N</i>')tin(IV) Benzene Solvate (1/1)","Acta Crystallographica Section C","1996","52","9","2141","2143","10.1107/S0108270195009334","","","0.7107","MoKα","","0.0849","0.04","","0.0371","0.034","","","","1.556","1.753","1.753","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005431","7.765","0.005","13.805","0.002","10.292","0.003","90","","105.1","0.03","90","","1065.2","0.8","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H30 Cl4 N2 Sn -","- C12 H30 Cl4 N2 Sn -","- C24 H60 Cl8 N4 Sn2 -","2","0.5","TA1047","Hall, V. J.; Tiekink, E. R. T.","Bis(diethylammonium) Tetrachlorodivinylstannate(IV)","Acta Crystallographica Section C","1996","52","9","2143","2145","10.1107/S0108270195009346","","","0.7107","MoKalpha","","0.153","0.0465","","0.043","0.0362","","","","1.46","1.839","1.839","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005432","10.114","0.003","11.289","0.004","21.103","0.009","90","","90","","90","","2409.5","1.5","293","1","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 O8 -","- C25 H38 O8 -","- C100 H152 O32 -","4","1","TA1076","Chen, H.; Tan, R.; Liu, Z.; Liu, J.; Chen, M.","Lupulin D","Acta Crystallographica Section C","1996","52","9","2229","2231","10.1107/S0108270196004829","","","0.71073","MoKα","","","0.039","","","0.037","","","","","0.841","0.841","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005433","5.224","0.001","5.096","0.001","31.006","0.006","90","","94.53","0.03","90","","822.8","0.3","296","0.1","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-hexamethylenebis(3-pyridinecarboxamide)","","- C18 H22 N4 O2 -","- C18 H22 N4 O2 -","- C36 H44 N8 O4 -","2","0.5","TA1081","Liu, Q.; Zhang, S.-W.; Wei, Y. G.; Shao, M.-C.","Anticancer and Antifertility Agents. II. <i>N</i>,<i>N</i>'-Hexamethylenebis(3-pyridinecarboxamide)","Acta Crystallographica Section C","1996","52","9","2260","2261","10.1107/S0108270196005045","","","0.71073","MoKα","","0.0691","0.0411","","0.0874","0.0639","","","","","1.62","1.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005434","4.47","0.002","17.568","0.002","10.183","0.002","90","","97.84","0.02","90","","792.2","0.4","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 Cl N O3 -","- C7 H8 Cl N O3 -","- C28 H32 Cl4 N4 O12 -","4","1","TA1084","Okabe, N.; Shimosaki, A.; Miura, J.","3-Hydroxyanthranilic Acid Hydrochloride","Acta Crystallographica Section C","1996","52","9","2345","2347","10.1107/S0108270196003368","","","0.71069","MoKα","","","0.054","","","0.056","","","","","1.58","1.58","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2005435","10.599","0.001","3.775","0.001","26.517","0.003","90","","95.17","0.01","90","","1056.7","0.3","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H18 N2 O2 -","- C34 H18 N2 O4 -","- C68 H36 N4 O8 -","2","0.5","TA1086","Mizuguchi, J.","5,15-Diaza-6,16-dihydroxytetrabenzo[<i>b</i>,<i>e</i>,<i>k</i>,<i>n</i>]perylene","Acta Crystallographica Section C","1996","52","9","2315","2317","10.1107/S0108270196004271","","","0.71073","MoKα","","","0.058","","","0.065","","","","","1.212","1.212","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005436","7.085","0.001","9.836","0.001","10.704","0.001","102.95","0.01","95.58","0.01","98.54","0.01","712.29","0.15","293","","","","","","","","","","","3","P -1","-P 1","2","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C32 H36 O8 -","2","1","VJ1039","Rajnikant; Gupta, V. K.; Singh, A.; Lal, M.; Varghese, B.","Coumurrayin","Acta Crystallographica Section C","1996","52","9","2272","2274","10.1107/S0108270196004209","","","0.71073","MoKα","","","0.05","","","0.144","","","","","0.9","0.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005437","12.383","0.002","11.802","0.003","11.373","0.005","90","","94.57","0.03","90","","1656.8","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diacetatobis(pyridine)palladium(II) Hydrate","","- C14 H18 N2 O5 Pd -","- C14 H18 N2 O5 Pd -","- C56 H72 N8 O20 Pd4 -","4","0.5","VS1019","Kravtsova, S. V.; Romm, I. P.; Stash, A. I.; Belsky, V. K.","Bis(acetato-<i>O</i>)bis(pyridine-<i>N</i>)palladium(II) Monohydrate and Bis(acetato-<i>O</i>)bis(diethylamine-<i>N</i>)palladium(II)","Acta Crystallographica Section C","1996","52","9","2201","2204","10.1107/S0108270196005732","","","0.71069","MoKα","","0.0269","0.0269","","0.0499","0.0499","","","","1.093","1.093","1.093","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005438","8.089","0.001","7.173","0.001","8.48","0.001","88.7","0.01","65.76","0.01","80.8","0.01","442.37","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diacetatobis(diethylamine)palladium(II)","","- C12 H28 N2 O4 Pd -","- C12 H28 N2 O4 Pd -","- C12 H28 N2 O4 Pd -","1","0.5","VS1019","Kravtsova, S. V.; Romm, I. P.; Stash, A. I.; Belsky, V. K.","Bis(acetato-<i>O</i>)bis(pyridine-<i>N</i>)palladium(II) Monohydrate and Bis(acetato-<i>O</i>)bis(diethylamine-<i>N</i>)palladium(II)","Acta Crystallographica Section C","1996","52","9","2201","2204","10.1107/S0108270196005732","","","0.71069","MoKα","","0.0188","0.0188","","0.048","0.048","","","","1.08","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005439","28.787","0.004","8.619","0.003","11.623","0.005","90","","95.64","0.02","90","","2869.9","1.6","298","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 N Na O7 S -","- C10 H16 N Na O7 S -","- C80 H128 N8 Na8 O56 S8 -","8","1","AB1205","Wang, J.-L.; Li, G.-P.; Zhang, L.-J.; Li, B.; Ma, S.-K.; Niu, Z.-C.; Miao, F.-M.","Sodium 1-Naphthylamine-6-sulfonate‒Water (1/4)","Acta Crystallographica Section C","1996","52","10","2476","2477","10.1107/S0108270195004987","","","0.71073","MoKα","","","0.05","","","0.058","","","","","0.815","0.815","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005440","10.71","0.001","16.485","0.002","9.124","0.001","90","","113.59","0.01","90","","1476.3","0.3","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Cl O -","- C19 H13 Cl O -","- C76 H52 Cl4 O4 -","4","1","AB1316","Kumaran, D.; Eswaramoorthy, S.; Ponnuswamy, M. N.; Raju, K. S.; Nanjundan, S.","3-(2-Chlorophenyl)-1-(2-naphthyl)-2-propen-1-one","Acta Crystallographica Section C","1996","52","10","2543","2545","10.1107/S0108270195016490","","","1.5418","CuKα","","","0.055","","","0.076","","","","","1.3","1.3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005441","16.531","0.004","13.224","0.002","22.633","0.002","90","","87.85","0.02","90","","4944.2","1.5","293","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Ti -","- C22 H17.6667 Ti -","- C264 H212 Ti12 -","12","3","AB1327","Zhu, Y.; Shen, X.-M.","2,2'-Biphenylbis(η-cyclopentadienyl)titanium","Acta Crystallographica Section C","1996","52","10","2422","2425","10.1107/S0108270196001011","","","1.54184","CuKα","","","0.071","","","0.075","","","","","2.49","2.49","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005442","10.589","0.003","9.396","0.002","21.132","0.005","90","0.02","93.24","0.02","90","0.02","2099.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tris(2-hydroxyethyl)ammonium (2,6-dichlorophenyl)amino-phenylacetate (HTEA.D)","","- C20 H26 Cl2 N2 O5 -","- C20 H26 Cl2 N2 O5 -","- C80 H104 Cl8 N8 O20 -","4","1","AB1345","Castellari, C.; Ottani, S.","Diclofenac Salts. IV. Tris(2-hydroxyethyl)ammonium 2-(2,6-Dichlorophenylamino)phenylacetate","Acta Crystallographica Section C","1996","52","10","2619","2622","10.1107/S0108270196006300","","","0.71069","MoKα","","0.1955","0.0464","","0.1006","0.0698","","","","0.955","1.133","1.133","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2005443","11.559","0.002","11.559","0.002","21.783","0.004","90","","90","","120","","2520.5","0.8","293","2","293","2","","","","","","","","3","R 3 2 :H","R 3 2""","155","","Perchlorotriphenylcarbonium hexachloroantimonate(V)","","- C19 Cl21 Sb -","- C19 Cl21.008 Sb -","- C57 Cl63.024 Sb3 -","3","0.166667","AB1351","Molins, E.; Mas, M.; Maniukiewicz, W.; Ballester, M.; Castañer, J.","Perchlorotriphenylcarbenium Hexachloroantimonate(V)","Acta Crystallographica Section C","1996","52","10","2412","2414","10.1107/S0108270196007287","","","0.71073","MoKα","","0.049","0.0438","","0.1379","0.1322","","","","1.026","1.025","1.025","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005444","13.273","0.003","9.692","0.002","38.608","0.008","90","","99.19","0.03","90","","4902.9","1.9","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","di(ciprofloxacinium) hexaaquamagnesium(II) bis(sulfate) hexahydrate","","- C34 H62 F2 Mg N6 O26 S2 -","- C34 H62 F2 Mg N6 O26 S2 -","- C136 H248 F8 Mg4 N24 O104 S8 -","4","0.5","AB1358","Turel, I.; Leban, I.; Zupancic, M.; Bukovec, P.; Gruber, K.","An Adduct of Magnesium Sulfate with a Member of the Quinolone Family (Ciprofloxacin)","Acta Crystallographica Section C","1996","52","10","2443","2445","10.1107/S0108270196005343","","","0.71073","MoKα","","0.1325","0.06","","0.1695","0.1172","","","","1.048","1.091","1.091","","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2005445","5.766","0.001","7.46","0.001","7.267","0.003","90","","92.45","0.03","90","","312.3","0.15","293","","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C3 H9 Br S -","- C3 H9 Br S -","- C6 H18 Br2 S2 -","2","0.5","AB1364","Svensson, P. H.; Kloo, L.","Trimethylsulfonium Bromide","Acta Crystallographica Section C","1996","52","10","2580","2581","10.1107/S0108270196006610","","","0.71069","MoKα","","","0.025","","","0.026","","","","","1.54","1.54","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005446","11.8328","0.0016","7.5583","0.0014","12.387","0.003","90","","90","","90","","1107.8","0.4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Compound 5","4-methylpyridazin-3(2H)-one","","- C5 H6 N2 O -","- C5 H6 N2 O -","- C40 H48 N16 O8 -","8","1","AB1367","Blake, A. J.; McNab, H.","Four Simple Pyridazin-3(2<i>H</i>)-ones","Acta Crystallographica Section C","1996","52","10","2622","2627","10.1107/S0108270196005355","","","0.71073","MoKα","","0.207","0.0566","","0.1738","0.1085","","","","0.933","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005447","6.903","0.002","6.302","0.002","14.406","0.003","90","","92.12","0.03","90","","626.3","0.3","150","0.2","150","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Compound 6.H~2~O","5-methylpyridazin-3(2H)-one monohydrate","","- C5 H8 N2 O2 -","- C5 H8 N2 O2 -","- C20 H32 N8 O8 -","4","1","AB1367","Blake, A. J.; McNab, H.","Four Simple Pyridazin-3(2<i>H</i>)-ones","Acta Crystallographica Section C","1996","52","10","2622","2627","10.1107/S0108270196005355","","","0.71073","MoKα","","0.0533","0.0412","","0.1162","0.1054","","","","1.061","1.099","1.099","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005448","6.325","0.002","6.322","0.003","15.597","0.004","90","","90","","90","","623.7","0.4","150","0.2","150","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","Compound 7.H~2~O","6-methylpyridazin-3(2H)-one monohydrate","","- C5 H8 N2 O2 -","- C5 H8 N2 O2 -","- C20 H32 N8 O8 -","4","0.5","AB1367","Blake, A. J.; McNab, H.","Four Simple Pyridazin-3(2<i>H</i>)-ones","Acta Crystallographica Section C","1996","52","10","2622","2627","10.1107/S0108270196005355","","","0.71073","MoKα","","0.0825","0.0481","","0.1529","0.1229","","","","1.035","1.074","1.074","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005449","5.7","0.004","26.428","0.018","6.712","0.005","90","","110.94","0.07","90","","944.3","1.2","150","0.2","150","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Compound 8","2-(p-tolyl)pyridazin-3(2H)-one","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C44 H40 N8 O4 -","4","1","AB1367","Blake, A. J.; McNab, H.","Four Simple Pyridazin-3(2<i>H</i>)-ones","Acta Crystallographica Section C","1996","52","10","2622","2627","10.1107/S0108270196005355","","","0.71073","MoKα","","0.0949","0.0538","","0.2555","0.1336","","","","1.06","1.081","1.081","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005450","10.006","0.001","14.876","0.001","11.34","0.001","90","","102.93","0.01","90","","1645.2","0.3","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 Cu N4 O6 -","- C34 H38 Cu N4 O6 -","- C68 H76 Cu2 N8 O12 -","2","0.5","AB1371","Hökelek, T.; Gündüz, H.; Necefouglu, H.","<i>trans</i>-Bis(benzoato-<i>O</i>,<i>O</i>')bis(<i>N</i>,<i>N</i>-diethylnicotinamide-<i>N</i>^1^)copper(II)","Acta Crystallographica Section C","1996","52","10","2470","2473","10.1107/S0108270196006312","","","0.71073","MoKα","","","0.0427","","","0.0448","","","","","1.21","1.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005451","12.96","0.002","17.444","0.003","8.068","0.002","90","","90","","90","","1824","0.6","173","1","173","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(1S*,3S*,4R*,7S*,8S*,12S*,13S*)-7-isocyanocycloamphilect- 11(20)-ene","","","- C21 H31 N -","- C21 H31 N -","- C84 H124 N4 -","4","1","AB1372","Linden, A.; König, G. M.; Wright, A. D.","Four Diterpene Isonitriles from the Sponge <i>Cymbastela hooperi</i>","Acta Crystallographica Section C","1996","52","10","2601","2607","10.1107/S010827019600515X","","","0.71069","MoKα","","0.0769","0.0466","","0.0436","0.041","","","","","1.706","1.706","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005452","14.319","0.002","17.591","0.004","7.145","0.002","90","","90","","90","","1799.7","0.7","173","1","173","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(1S*,3S*,4R*,7S*,8S*,11R*,12R*,13S*,20S*)-7- isocyanoisocycloamphilect-14-ene","","","- C21 H31 N -","- C21 H31 N -","- C84 H124 N4 -","4","1","AB1372","Linden, A.; König, G. M.; Wright, A. D.","Four Diterpene Isonitriles from the Sponge <i>Cymbastela hooperi</i>","Acta Crystallographica Section C","1996","52","10","2601","2607","10.1107/S010827019600515X","","","0.71069","MoKα","","0.1233","0.0564","","0.0469","0.0431","","","","","2.091","2.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005453","9.502","0.001","9.942","0.001","9.841","0.002","90","","106.6","0.01","90","","890.9","0.2","173","1","173","1","","","","","","","","3","P 1 21 1","P 2yb","4","(1S*,3S*,4R*,7S*,8S*,12S*,13S*)-7-isocyanoamphilecta- 11(20),15-diene","","","- C21 H31 N -","- C21 H31 N -","- C42 H62 N2 -","2","1","AB1372","Linden, A.; König, G. M.; Wright, A. D.","Four Diterpene Isonitriles from the Sponge <i>Cymbastela hooperi</i>","Acta Crystallographica Section C","1996","52","10","2601","2607","10.1107/S010827019600515X","","","0.71069","MoKα","","0.0505","0.0393","","0.0383","0.0374","","","","","2.008","2.008","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005454","20.38","0.006","32.683","0.009","8.37","0.007","90","","90","","90","","5575","5","173","1","173","1","","","","","","","","3","P 21 21 2","P 2 2ab","18","(1R*,3S*,4R*,7S*,8S*,13R*)-7-isocyanoamphilecta-11,14-diene","","","- C21 H31 N -","- C21 H31 N -","- C252 H372 N12 -","12","3","AB1372","Linden, A.; König, G. M.; Wright, A. D.","Four Diterpene Isonitriles from the Sponge <i>Cymbastela hooperi</i>","Acta Crystallographica Section C","1996","52","10","2601","2607","10.1107/S010827019600515X","","","0.71069","MoKα","","0.1569","0.0573","","0.0538","0.0459","","","","","1.711","1.711","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005455","10.6038","0.0011","10.4252","0.0011","10.8255","0.0012","90","","118.675","0.002","90","","1050","0.2","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(μ~2~-pinacolato-O,O')-bis(pinacolato-O,O')-diboron","","- C18 H36 B2 O6 -","- C18 H36 B2 O6 -","- C36 H72 B4 O12 -","2","0.5","AB1397","Clegg, W.; Scott, A. J.; Dai, C.; Lesley, G.; Marder, T. B.; Norman, N. C.; Farrugia, L. J.","(μ~2~-Pinacolato-<i>O</i>,<i>O</i>')-bis(pinacolato-<i>O</i>,<i>O</i>')diboron","Acta Crystallographica Section C","1996","52","10","2545","2547","10.1107/S0108270196008177","","","0.71073","MoKα","","0.0587","0.0471","","0.1064","0.0983","","","","1.133","1.146","1.146","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005456","16.535","0.005","3.8939","0.001","19.89","0.005","90","","111.87","0.008","90","","1188.5","0.6","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","m-nitro-N-(p-methoxybenzylidene)aniline","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","AB1402","Clegg, W.; Elsegood, M. R. J.; Heath, S. L.; Houlton, A.; Shipman, M. A.","Conformational Flexibility in <i>N</i>-Benzylideneanilines","Acta Crystallographica Section C","1996","52","10","2548","2552","10.1107/S0108270196009225","","","0.71073","MoKα","","0.0932","0.0715","","0.1765","0.1674","","","","1.221","1.354","1.354","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005457","11.4508","0.001","7.3793","0.0007","29.047","0.003","90","0.002","99.642","0.002","90","0.002","2419.8","0.4","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","p-nitro-N-(p-methoxybenzylidene)aniline","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C112 H96 N16 O24 -","8","2","AB1402","Clegg, W.; Elsegood, M. R. J.; Heath, S. L.; Houlton, A.; Shipman, M. A.","Conformational Flexibility in <i>N</i>-Benzylideneanilines","Acta Crystallographica Section C","1996","52","10","2548","2552","10.1107/S0108270196009225","","","0.71073","MoKα","","0.056","0.0386","","0.1061","0.0937","","","","1.063","1.077","1.077","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005458","25.559","0.002","7.0926","0.0007","22.138","0.002","90","","110.792","0.008","90","","3751.8","0.6","294","1","294","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,4'-Dihydroxybenzophenone‒4,4'-Bipyridyl (1/1)","","- C23 H18 N2 O3 -","- C23 H18 N2 O3 -","- C184 H144 N16 O24 -","8","1","AB1404","Coupar, P. I.; Ferguson, G.; Glidewell, C.","Hydrogen-Bonded Chains in 4,4'-Dihydroxybenzophenone‒4,4'-Bipyridyl (1/1) and Chains of Rings in 1,3,5-Trihydroxybenzene‒4,4'-Bipyridyl (2/3)","Acta Crystallographica Section C","1996","52","10","2524","2528","10.1107/S0108270196008669","","","0.7107","MolybdenumKα","","0.1775","0.0706","","0.1513","0.1251","","","","0.951","1.273","1.273","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005459","16.716","0.005","13.765","0.005","17.782","0.003","90","","117.18","0.02","90","","3639.8","1.9","294","1","294","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1,3,5-Trihydroxybenzene‒4,4'-Bipyridyl (2/3)","","- C42 H36 N6 O6 -","- C42 H36 N6 O6 -","- C168 H144 N24 O24 -","4","1","AB1404","Coupar, P. I.; Ferguson, G.; Glidewell, C.","Hydrogen-Bonded Chains in 4,4'-Dihydroxybenzophenone‒4,4'-Bipyridyl (1/1) and Chains of Rings in 1,3,5-Trihydroxybenzene‒4,4'-Bipyridyl (2/3)","Acta Crystallographica Section C","1996","52","10","2524","2528","10.1107/S0108270196008669","","","0.7107","MolybdenumKα","","0.2379","0.0769","","0.1875","0.1428","","","","0.905","1.486","1.486","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005460","15.048","0.002","19.295","0.003","8.1684","0.001","90","","90","","90","","2371.7","0.6","294","1","294","1","","","","","","","","4","A b a 2","A 2 -2ab","41","","4,4'-Sulfonyldiphenol","","- C12 H10 O4 S -","- C12 H10 O4 S -","- C96 H80 O32 S8 -","8","","AB1406","Glidewell, C.; Ferguson, G.","Interpenetrating Square Nets in the Hydrogen-Bonded Structure of 4,4'-Sulfonyldiphenol","Acta Crystallographica Section C","1996","52","10","2528","2530","10.1107/S0108270196009316","","","0.7107","MolybdenumKα","","0.1579","0.0468","","0.0874","0.0722","","","","0.905","1.294","1.294","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005461","11.447","0.001","12.989","0.001","24.881","0.001","90","","90","","90","","3699.4","0.5","294","","","","","","","","","","","5","P b c n","","","","","","- C20 H24 N2 O3 S -","- C20 H24 N2 O3 S -","- C160 H192 N16 O24 S8 -","8","1","BK1153","Kumaradhas, P.; Nirmala, K. A.; Sridhar, M. A.","<i>cis</i>-(±)-5-[2-(Dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one","Acta Crystallographica Section C","1996","52","10","2595","2597","10.1107/S0108270196005070","","","0.7093","MoKα","","","0.0486","","","0.1087","","","","","1.205","1.205","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005462","9.0882","0.0008","12.7583","0.0014","15.5461","0.0013","90","","104.725","0.007","90","","1743.4","0.3","163","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 B O -","- C22 H23 B O -","- C88 H92 B4 O4 -","4","1","BK1195","Evans, W. J.; Shreeve, J. L.; Ziller, J. W.","Triphenyl(tetrahydrofuranyl)boron","Acta Crystallographica Section C","1996","52","10","2571","2573","10.1107/S0108270196006683","","","0.71073","MoKα","","","0.063","","","0.067","","","","","1.31","1.31","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005463","11.49","0.002","11.49","0.002","30.906","0.003","90","","90","","90","","4080.2","1.1","153.2","","153.2","","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C30 H32 Cd F10 N6 Nb2 O2 -","- C32 H32 Cd F10 N8 Nb2 O2 -","- C128 H128 Cd4 F40 N32 Nb8 O8 -","4","0.25","BK1219","Halasyamani, P.; Willis, M. J.; Heier, K. R.; Stern, C. L.; Poeppelmeier, K. R.","[pyH^+^]~2~[CdNb~2~(py)~4~O~2~F~10~]^2{-^}","Acta Crystallographica Section C","1996","52","10","2491","2493","10.1107/S0108270196007573","","","0.7107","MoKα","","","0.0245","","","0.0289","","","","","2.35","2.35","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005464","10.2743","0.0001","9.6211","0.0002","17.3827","0.0004","90","","94.95","0.001","90","","1711.87","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 3-(9-anthryl)-5-methyl-4-isoxazolecarboxylate","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C84 H68 N4 O12 -","4","1","BK1222","Mosher, M. D.; Natale, N. R.; Vij, A.","An Intercalating Isoxazole","Acta Crystallographica Section C","1996","52","10","2513","2515","10.1107/S0108270196005082","","","0.71073","MoKα","","0.0498","0.047","","0.111","0.1094","","","","1.2","1.222","1.222","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005465","9.615","0.002","4.909","0.001","21.126","0.004","90","","99.02","0.03","90","","984.8","0.4","198","2","198","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","catena-poly[μ-(difluorophosphato-O:O')bis{silver-μ- (4,4'-dicyanodiphenylacetylene-N:N')}]","","- C16 H8 Ag2 F4 N2 O4 P2 -","- C16 H8 Ag2 F4 N2 O4 P2 -","- C32 H16 Ag4 F8 N4 O8 P4 -","2","0.5","BK1228","Hirsch, K. A.; Wilson, S. R.; Moore, J. S.","A Silver(I) Complex of 4,4'-Dicyanodiphenylacetylene with a Difluorophosphate (PO~2~F~2~^{-^}) Counterion","Acta Crystallographica Section C","1996","52","10","2419","2422","10.1107/S0108270196005173","","","0.71073","MoKα","","0.0403","0.03","","0.078","0.0726","","","","1.05","1.089","1.089","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005466","25.483","0.004","8.0133","0.0019","15.339","0.004","90","","121.581","0.014","90","","2668.4","1.1","297","","297","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C27 H48 O6 -","- C28 H42 O6 -","- C112 H168 O24 -","4","1","BK1233","Wahle, M. C.; Byrn, S. R.","3α,7α,12α-Trihydroxy-5β-cholan-24-oic Acid Methyl Ester Ethanolate (Methyl Cholate Ethanolate)","Acta Crystallographica Section C","1996","52","10","2500","2502","10.1107/S0108270196005161","","","1.54184","Cu-Kα","","0.088","0.062","","0.19","0.19","","","","1.101","1.101","1.101","","","","","has coordinates","198472","2020-10-21","18:00:00",""
"2005467","7.793","0.006","15.72","0.009","20.514","0.012","90","","90","","90","","2513","3","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Sodium 3α,7α,12α-Trihydroxy-5β-cholan-24-oate Methanolate","","- C25 H43 Na O6 -","- C25 H43 Na O6 -","- C100 H172 Na4 O24 -","4","1","BK1236","Wahle, M. C.; Byrn, S. R.","Sodium Cholate Methanolate and Sodium Cholate 2-Propanolate","Acta Crystallographica Section C","1996","52","10","2495","2499","10.1107/S0108270196006506","","","0.71073","MoKα","","0.099","0.068","","0.156","0.156","","","","1.045","1.045","1.045","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005468","10.466","0.002","7.6364","0.0019","17.197","0.002","90","","90.37","0.012","90","","1374.4","0.5","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","Sodium 3α,7α,12α-Trihydroxy-5β-cholan-24-oate 2-Propanolate","","- C27 H47 Na O6 -","- C27 H47 Na O6 -","- C54 H94 Na2 O12 -","2","1","BK1236","Wahle, M. C.; Byrn, S. R.","Sodium Cholate Methanolate and Sodium Cholate 2-Propanolate","Acta Crystallographica Section C","1996","52","10","2495","2499","10.1107/S0108270196006506","","","1.54184","CuKα","","0.205","0.063","","0.205","0.134","","","","1.088","1.216","1.216","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005469","9.8583","0.0003","10.7631","0.0001","11.3841","0.0003","64.636","0.002","84.154","0.002","83.762","0.002","1082.96","0.05","198","2","198","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H31 N O3 -","- C26 H31 N O3 -","- C52 H62 N2 O6 -","2","1","BK1243","Dixon, J. A.; Swiss, K. A.; Denmark, S. E.","<i>rel</i>-(1<i>R</i>,6<i>S</i>,7<i>S</i>,8<i>R</i>,9<i>S</i>)-9-Methyl-8-phenyl-6-[(1<i>S</i>,2<i>R</i>)-(2-phenylcyclohexyl)oxy]-4-aza-3,5-dioxatricyclo[5.2.1.0^4,9^]decane","Acta Crystallographica Section C","1996","52","10","2561","2563","10.1107/S0108270196006671","","","0.71073","MoKα","","0.1001","0.049","","0.126","0.1011","","","","1.03","1.084","1.084","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005470","33.749","0.004","4.459","0.003","28.151","0.003","90","","98.59","0.01","90","","4189","3","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","fluorene-9-carboxylic acid","","","- C14 H10 O2 -","- C14 H10 O2 -","- C224 H160 O32 -","16","2","BK1245","Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.","Fluorene-9-carboxylic Acid","Acta Crystallographica Section C","1996","52","10","2638","2641","10.1107/S0108270196006269","","","0.71073","MoKα","","","0.04","","","0.05","","","","","1.64","1.64","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005471","18.494","0.008","9.857","0.003","20.886","0.008","90","","100.83","0.03","90","","3740","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichloro-bis(diphenylmethylphosphine)- (η^2^-3,3-diphenylcyclopropene)-oxo-tungsten","","- C41 H38 Cl2 O P2 W -","- C41 H38 Cl2 O P2 W -","- C164 H152 Cl8 O4 P8 W4 -","4","1","BK1246","Day, M. W.; Wilhelm, T. E.; Grubbs, R. H.","A Diphenylcyclopropene Complex of Tungsten, [WCl~2~O(PMePh~2~)~2~(η^2^-3,3-diphenylcyclopropene)], Precursor to a Tungsten‒Oxo‒Olefin Metathesis Catalyst","Acta Crystallographica Section C","1996","52","10","2460","2462","10.1107/S0108270196006464","","","0.71073","MoKα","","0.0658","0.036","","0.0765","0.062","","","","1.502","1.47","1.47","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005472","9.5","0.002","10.031","0.003","4.91","0.002","90","","97.4","0.02","90","","464","0.3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C6 H8 Cl2 N4 -","- C6 H8 Cl2 N4 -","- C12 H16 Cl4 N8 -","2","0.25","BK1258","Bélanger, S.; Beauchamp, A. L.","2,2'-Bi(1<i>H</i>-imidazolium) Dichloride","Acta Crystallographica Section C","1996","52","10","2588","2590","10.1107/S0108270196008098","","","1.54056","CopperKα","","0.0439","0.043","","0.109","0.1084","","","","1.12","1.146","1.146","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005473","4.837","0.001","13.296","0.001","18.24","0.001","90","","90","","90","","1173.1","0.3","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 F2 N2 O4 -","- C10 H12 F2 N2 O4 -","- C40 H48 F8 N8 O16 -","4","1","BM1043","Das, A. K.; Mukhopadhyay, A.; Das, N.; Mazumdar, S. K.; Bertolasi, V.; Van Aerschot, A.","3'-Deoxy-2',3'-difluorothymidine, a Nucleoside Analogue","Acta Crystallographica Section C","1996","52","10","2615","2616","10.1107/S010827019600282X","","","0.71073","MoKα","","","0.037","","","0.042","","","","","1.428","1.428","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005474","8.469","0.008","13.474","0.008","11.256","0.009","90","","106.29","0.06","90","","1232.9","1.7","153","","153","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 N2 O2 S -","- C12 H16 N2 O2 S -","- C48 H64 N8 O8 S4 -","4","1","BM1075","Fortes, A. G.; Johnstone, R. A. W.; Mahmood, S.","<i>N</i>-(1-Methyl-2-pyrrolidinylidene)-<i>p</i>-toluenesulfonamide: a Condensation Product of 4-Methylphenylsulfonyl Isocyanate and 1-Methyl-2-pyrrolidone","Acta Crystallographica Section C","1996","52","10","2569","2570","10.1107/S0108270196006750","","","0.71073","MoKα","","","0.0549","","","0.0579","","","","","1.977","1.977","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005475","7.4346","0.001","15.8698","0.001","12.559","0.001","90","","96.91","0.01","90","","1471","0.2","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","trans-[bis(dimethylamino)bis(1-methylcytosine) platinum(II)]bis(tetrachlorothallate(III))","","- C12 H24 Cl8 N8 O2 Pt Tl2 -","- C12 H24 Cl8 N8 O2 Pt Tl2 -","- C24 H48 Cl16 N16 O4 Pt2 Tl4 -","2","0.5","BM1076","Zangrando, E.; Randaccio, L.; Pichierri, F.; Lippert, B.; Holthenrich, D.","<i>trans</i>-Bis(methylamine-<i>N</i>)bis(1-methylcytosine-<i>N</i>^3^)platinum(II) Bis[tetrachlorothallate(III)]","Acta Crystallographica Section C","1996","52","10","2468","2470","10.1107/S010827019600683X","","","0.71073","MoKα","","0.0978","0.0351","","","0.0384","","","","","1.08","1.08","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2005476","6.768","0.012","10.675","0.014","12.384","0.012","81.37","0.05","77.01","0.05","74.77","0.12","837","2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Maleimide","","","- C4 H3 N O2 -","- C4 H3 N O2 -","- C32 H24 N8 O16 -","8","4","BM1088","Cox, P. J.; Parker, S. F.","Maleimide","Acta Crystallographica Section C","1996","52","10","2578","2580","10.1107/S0108270196006841","","","0.71073","MoKα","","0.1407","0.063","","0.1715","0.1398","","","","0.764","1.123","1.123","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005477","9.2065","0.0004","11.1298","0.0009","20.0264","0.0008","90","","90","","90","","2052","0.2","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- La Mo8 O14 -","- La Mo8 O14 -","- La8 Mo64 O112 -","8","1","BR1140","Kerihuel, G.; Tortelier, J.; Gougeon, P.","LaMo~8~O~14~","Acta Crystallographica Section C","1996","52","10","2389","2393","10.1107/S010827019600532X","","","0.71073","MoKα","","0.0562","0.0365","","0.0816","0.0772","","","","1.142","1.234","1.234","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005478","4.52","0.002","4.52","0.002","15.484","0.008","90","","90","","90","","316.3","0.3","113","2","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Ag0.64 Cs Mn1.18 Te2 -","- Ag0.64 Cs Mn1.18 Te2 -","- Ag1.28 Cs2 Mn2.36 Te4 -","2","0.0625","BR1142","Wu, E. J.; Pell, M. A.; Ibers, J. A.","CsAg~0.64~Mn~1.18~Te~2~","Acta Crystallographica Section C","1996","52","10","2384","2385","10.1107/S0108270196006294","","","0.7093","MoKα~1~","","","0.0308","","","0.1182","","","","","2.392","2.392","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005479","8.984","0.002","16.588","0.004","13.732","0.002","90","","103.27","0.02","90","","1991.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3-hexanoyl-1-tosylindole","3-hexanoyl-1-(p-methylphenylsulphonyl)indole","","- C21 H23 N O3 S -","- C21 H23 N O3 S -","- C84 H92 N4 O12 S4 -","4","1","CF1004","Mohialdin-Khaffaf, S.; Persaud, K. C.; Pritchard, R. G.","3-Hexanoyl-1-tosylindole. A Highly Stereospecific Preparation of 3-Alkyl-Substituted Indoles","Acta Crystallographica Section C","1996","52","10","2607","2609","10.1107/S010827019600580X","","","0.71069","MoKα","","0.2052","0.0659","","0.3392","0.1973","","","","1.078","1.222","1.222","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005480","13.2001","0.0012","19.4239","0.0015","15.1868","0.0013","90","","90","","90","","3893.9","0.6","297","","297","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[N-2-propylsalicylideneamino]cobalt(II)","","- C20 H24 Co N2 O2 -","- C20 H24 Co N2 O2 -","- C160 H192 Co8 N16 O16 -","8","1","CF1056","Elerman, Y.; Kabak, M.; Tahir, M. N.","Bis(<i>N</i>-2-propylsalicylideneamino-<i>N</i>,<i>O</i>)cobalt(II)","Acta Crystallographica Section C","1996","52","10","2434","2436","10.1107/S0108270196007111","","","0.71073","MoKα","","","0.035","","","0.04","","","","","1.27","1.27","","","","","has coordinates","198529","2020-10-21","18:00:00",""
"2005481","4.8797","0.0011","12.155","0.001","14.7338","0.0016","68.364","0.01","86.482","0.012","78.77","0.011","796.7","0.2","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 N2 O11 Pb -","- C14 H10 N2 O11 Pb -","- C28 H20 N4 O22 Pb2 -","2","1","CF1064","Tahir, M. N.; Ülkü, D.; Mövsümov, E. M.","Aquabis(<i>p</i>-nitrosalicylato-<i>O</i>,<i>O</i>')lead(II)","Acta Crystallographica Section C","1996","52","10","2436","2439","10.1107/S0108270196007123","","","0.71073","MoKα","","","0.027","","","0.029","","","","","0.88","0.88","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005482","10.608","0.003","19.147","0.006","17.448","0.005","90","","107.22","0.02","90","","3385","1.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(+/-)-cis-1,2-O-Cyclohexylidene-3,4,5,6-tetra-O-benzyl myo-inositol","","- C40 H44 O6 -","- C40 H44 O6 -","- C160 H176 O24 -","4","1","CF1070","Spiers, I. D.; Schwalbe, C. H.; Freeman, S.","3,4,5,6-Tetra-<i>O</i>-benzyl-<i>cis</i>-1,2-<i>O</i>-cyclohexylidene <i>myo</i>-Inositol","Acta Crystallographica Section C","1996","52","10","2575","2578","10.1107/S0108270196005410","","","0.71069","MoKα","","0.1479","0.0511","","0.1513","0.1065","","","","1.005","1.126","1.126","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005483","21.519","0.003","5.5068","0.0004","16.422","0.002","90","","128.692","0.012","90","","1518.9","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(3RS,6SR)-2,5-dimethoxy-3,6-diphenyl-3,6-dihydropyrazine","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","0.5","CF1094","Benecke, B.; Bolte, M.","<i>trans</i>- and <i>cis</i>-2,5-Dimethoxy-3,6-diphenyl-3,6-dihydropyrazine","Acta Crystallographica Section C","1996","52","10","2586","2588","10.1107/S0108270196006634","","","0.71069","MoKα","","0.0588","0.0416","","0.1366","0.1079","","","","1.11","1.175","1.175","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005484","15.7468","0.0004","17.3677","0.0005","11.5306","0.0004","90","","90","","90","","3153.45","0.16","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(3RS,6RS)-2,5-dimethoxy-3,6-diphenyl-3,6-dihydropyrazine","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C144 H144 N16 O16 -","8","1","CF1094","Benecke, B.; Bolte, M.","<i>trans</i>- and <i>cis</i>-2,5-Dimethoxy-3,6-diphenyl-3,6-dihydropyrazine","Acta Crystallographica Section C","1996","52","10","2586","2588","10.1107/S0108270196006634","","","1.5418","CuKα","","0.0415","0.0387","","0.1055","0.102","","","","1.079","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005485","9.709","0.002","15.482","0.002","18.267","0.003","90","","96.2","0.01","90","","2729.7","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","cis-Dichloro(triethylphosphine-P)[tris(2,6-difluorophenyl)phosphite-P] platinum(II)","","- C24 H24 Cl2 F6 O3 P2 Pt -","- C24 H24 Cl2 F6 O3 P2 Pt -","- C96 H96 Cl8 F24 O12 P8 Pt4 -","4","1","CF1103","Fawcett, J.; Holloway, J. H.; Hope, E. G.; Saunders, G. C.; Atherton, M. J.","<i>cis</i>-Dichloro(triethylphosphine-<i>P</i>)[tris(2,6-difluorophenyl)phosphite-<i>P</i>]platinum(II)","Acta Crystallographica Section C","1996","52","10","2463","2464","10.1107/S0108270196007160","","","0.71073","MoKα","","0.0428","0.0293","","0.0669","0.0616","","","","1.043","1.067","1.067","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005486","6.873","0.001","7.2268","0.0014","7.471","0.002","80.41","0.02","80.27","0.02","67.121","0.01","334.88","0.12","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","Pyridine-2,5-dimethanol","","- C7 H9 N O2 -","- C7 H9 N O2 -","- C14 H18 N2 O4 -","2","1","CF1110","Bell, W.; Coupar, P. I.; Ferguson, G.; Glidewell, C.","Multiple Hydrogen Bonds in Pyridine-2,6-dimethanol and Benzene-1,3,5-trimethanol","Acta Crystallographica Section C","1996","52","10","2520","2524","10.1107/S0108270196006014","","","0.7107","MoKα","","0.106","0.0483","","0.1328","0.1182","","","","0.969","1.203","1.203","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005487","4.566","0.0003","8.1331","0.0005","23.173","0.003","90","","90","","90","","860.55","0.14","294","1","294","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Benzene-1,3,5-trimethanol","","- C9 H12 O3 -","- C9 H12 O3 -","- C36 H48 O12 -","4","1","CF1110","Bell, W.; Coupar, P. I.; Ferguson, G.; Glidewell, C.","Multiple Hydrogen Bonds in Pyridine-2,6-dimethanol and Benzene-1,3,5-trimethanol","Acta Crystallographica Section C","1996","52","10","2520","2524","10.1107/S0108270196006014","","","0.7107","MoKα","","0.0921","0.0434","","0.1004","0.0889","","","","1.05","1.244","1.244","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005488","8.1765","0.001","8.1765","","26.34","0.002","90","","90","","120","","1525","0.2","294","1","294","1","","","","","","","","4","P 31 2 1","P 31 2""","152","","Ferrocene-1,1'-diylbis(2-phenylethanedione)","","- C26 H18 Fe O4 -","- C26 H18 Fe O4 -","- C78 H54 Fe3 O12 -","3","0.5","CF1133","Ferguson, G.; Glidewell, C.; Royles, B. J. L.; Smith, D. M.","1,1'-Ferrocenediylbis(2-phenylethanedione): a Three-Dimensional Network Generated by Short C—H···O Hydrogen Bonds","Acta Crystallographica Section C","1996","52","10","2465","2468","10.1107/S0108270196009699","","","0.7107","MolybdenumKα","","0.0681","0.0487","","0.1157","0.1074","","","","1.065","1.134","1.134","","","","","has coordinates","192286","2020-10-21","18:00:00",""
"2005489","7.529","0.004","20.689","0.012","30.469","0.016","90","","90","","90","","4746","4","302.3","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N4 O4 S2 -","- C13 H16 N4 O4 S2 -","- C156 H192 N48 O48 S24 -","12","3","DE1032","Biswas, G.; Chandra, T.; Garg, N.; Bhakuni, D. S.; Pramanik, A.; Avasthi, K.; Maulik, P. R.","A [3.1.0]-Fused 2',3'-Modified β-<small>D</small>-Pyrazolo[3,4-<i>d</i>]pyrimidine Nucleoside","Acta Crystallographica Section C","1996","52","10","2563","2566","10.1107/S0108270196004015","","","0.71073","MoKα","","","0.052","","","0.087","","","","","1.106","1.106","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005490","13.616","0.001","11.977","0.002","15.804","0.001","90","","111.09","0.02","90","","2404.7","0.6","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 N O4 -","- C26 H31 N O4 -","- C104 H124 N4 O16 -","4","1","DE1036","Gunasekaran, K.; Velmurugan, D.; Murugan, P.; Ramakrishnan, V. T.; Panneerselvam, K.; Soriano-García, M.","3,4,6,7,9,10-Hexahydro-3,3,6,6-tetramethyl-1,8(2<i>H</i>,5<i>H</i>)-dioxo-10-phenyl-9-acridinylmethyl Acetate","Acta Crystallographica Section C","1996","52","10","2609","2612","10.1107/S010827019600652X","","","1.54184","CuKα","","","0.0516","","","0.134","","","","","0.903","0.903","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005491","9.673","0.001","6.992","0.003","22.867","0.003","90","","90","","90","","1546.6","0.7","293","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Trieuropium Boron Disilicate","","- B Eu3 O10 Si2 -","- B Eu3 O10 Si2 -","- B8 Eu24 O80 Si16 -","8","1","DU1155","Chi, L.; Chen, H.; Deng, S.; Zhuang, H.; Huang, J.","A New Europium Borosilicate, Eu~3~BSi~2~O~10~","Acta Crystallographica Section C","1996","52","10","2385","2387","10.1107/S0108270196005069","","","0.71073","MoKα","","","0.0527","","","0.0608","","","","","0.61","0.61","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005492","13.032","0.004","11.948","0.004","16.295","0.005","90","","103.83","0.02","90","","2463.7","1.4","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","catena-poly[-μ-aqua-bis(trifluoromethanesulphonatosilver-μ- (1,4-dicyanobenzene-N:N'))]","","- C18 H10 Ag2 F6 N4 O7 S2 -","- C18 H10 Ag2 F6 N4 O7 S2 -","- C72 H40 Ag8 F24 N16 O28 S8 -","4","0.5","FG1114","Venkataraman, D.; Gardner, G. B.; Covey, A. C.; Lee, S.; Moore, J. S.","Silver(I) Complexes of 1,4-Dicyanobenzene","Acta Crystallographica Section C","1996","52","10","2416","2419","10.1107/S0108270196006099","","","0.71073","MoKα","","0.0476","0.0318","","0.0801","0.073","","","","1.065","1.103","1.103","","","","","has coordinates","249787","2020-10-21","18:00:00",""
"2005493","12.165","0.003","13.296","0.009","15.175","0.008","90","","90","0.001","90","0.001","2454.7","2.1","293","2","","","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C8 H6 Ag F6 N2 O P -","- C8 H6 Ag F6 N2 O P -","- C64 H48 Ag8 F48 N16 O8 P8 -","8","","","","A New Europium Borosilicate, Eu~3~BSi~2~O~10~ Silver(I) Complexes of 1,4-Dicyanobenzene","Acta Crystallographica C","1996","52","","2385","2387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005494","7.313","0.002","9.057","0.002","6.994","0.002","107.63","0.02","117.6","0.02","74.81","0.002","387.16","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Trans-Dichlorobis(creatinine)platinum(II) Dyhydrate","","- C8 H18 Cl2 N6 O4 Pt -","- C8 H18 Cl2 N6 O4 Pt -","- C8 H18 Cl2 N6 O4 Pt -","1","0.5","FG1117","Ramos Silva, M.; Paixão, J. A.; Matos Beja, A.; Alte da Veiga, L.; Martín-Gil, J.; Martín-Gil, F. J.","A New Allotropic Form of <i>trans</i>-Dichlorobis(creatinine)platinum(II) Dihydrate","Acta Crystallographica Section C","1996","52","10","2450","2452","10.1107/S0108270196008086","","","0.71073","MoKα","","0.0851","0.0388","","0.0551","0.0478","","","","0.995","1.023","1.023","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005495","13.193","0.006","14.523","0.007","23.784","0.009","82.26","0.04","102.89","0.03","109.25","0.03","4185","3","295","","295","","","","","","","","","7","P -1","-P 1","2","","","","- C75 H67 N O P3 Ta Te10 -","- C75 N O P3 Ta Te10 -","- C150 N2 O2 P6 Ta2 Te20 -","2","1","FG1123","Flomer, W. A.; Kolis, J. W.; Pennington, W. T.","Tris(tetraphenylphosphonium) Decatelluriumtantalide Dimethylformamide (1/1), a Tetraphenylphosphonium Salt of TaTe~10~^3{-^}","Acta Crystallographica Section C","1996","52","10","2445","2448","10.1107/S0108270196005847","","","0.71073","MoKα","","","0.0598","","","0.0709","","","","","1.502","1.502","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005496","13.555","0.003","13.059","0.004","18.919","0.002","90","","107.58","0.01","90","","3192.5","1.3","293.2","","293.2","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H54 O Sr -","- C32 H54 O Sr -","- C128 H216 O4 Sr4 -","4","0.5","FG1143","Burkey, D. J.; Hanusa, T. P.","(Tetrahydrofuran-<i>O</i>)bis(η^5^-1,2,4-triisopropylcyclopentadienyl)strontium","Acta Crystallographica Section C","1996","52","10","2452","2454","10.1107/S0108270196007330","","","1.5418","CuKα","","","0.0328","","","0.042","","","","","1.58","1.58","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2005497","17.754","0.009","16.129","0.007","14.99","0.005","90","","103.33","0.03","90","","4177","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H37 Hf N5 O4 -","- C50 H37 Hf N5 O4 -","- C200 H148 Hf4 N20 O16 -","4","0.5","FG1145","Huhmann, J. L.; Rath, N. P.; Corey, J. Y.","(Tetraphenylporphyrinato)hafnium(IV) Diacetate Acetonitrile Solvate","Acta Crystallographica Section C","1996","52","10","2486","2488","10.1107/S0108270196007780","","","0.71073","MoKα","","0.1375","0.078","","0.1096","0.092","","","","1.376","1.527","1.527","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2005498","9.162","0.002","10.808","0.003","11.627","0.003","102.01","0.01","103.27","0.01","113.63","0.01","966.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Aqua(2,2'-bipyridyl-N,N')(thiodiacetato-O,O',S)zinc(II) tetrahydrate","","- C14 H22 N2 O9 S Zn -","- C14 H22 N2 O9 S Zn -","- C28 H44 N4 O18 S2 Zn2 -","2","1","FG1160","Baggio, R.; Perec, M.; Garland, M. T.","Aqua(2,2'-bipyridyl-<i>N</i>,<i>N</i>')(thiodiacetato-<i>O</i>,<i>O</i>',<i>S</i>)zinc(II) Tetrahydrate","Acta Crystallographica Section C","1996","52","10","2457","2460","10.1107/S0108270196007329","","","0.71073","MoKα","","0.0242","0.0221","","0.0583","0.0575","","","","1.036","1.07","1.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005499","8.1649","0.0009","8.6999","0.0013","8.9848","0.0011","90","","110.744","0.009","90","","596.85","0.14","288","2","288","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1'-di(2-propanone)-2,2'-biimidazole","","- C6 H7 N2 O -","- C12 H14 N4 O2 -","- C24 H28 N8 O4 -","2","0.5","FG1166","Secondo, P. M.; Barnett, W. M.; Collier, H. L.; Baughman, R. G.","1,1'-Diketone and 1,1'-Dinitrile Derivatives of 2,2'-Biimidazole","Acta Crystallographica Section C","1996","52","10","2636","2638","10.1107/S0108270196005823","","","0.71073","MoKα","","0.0521","0.0435","","0.1401","0.133","","","","1.146","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005500","7.1044","0.0009","5.259","0.0005","13.421","0.002","90","","99.646","0.01","90","","494.35","0.11","288","2","288","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,1'-di(cyanomethyl)-2,2'-biimidazole","","- C5 H4 N3 -","- C10 H8 N6 -","- C20 H16 N12 -","2","0.5","FG1166","Secondo, P. M.; Barnett, W. M.; Collier, H. L.; Baughman, R. G.","1,1'-Diketone and 1,1'-Dinitrile Derivatives of 2,2'-Biimidazole","Acta Crystallographica Section C","1996","52","10","2636","2638","10.1107/S0108270196005823","","","0.71073","MoKα","","0.042","0.0367","","0.1034","0.0972","","","","1.058","1.086","1.086","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005501","11.3869","0.0003","12.6938","0.0004","12.8468","0.0004","62.04","0.001","74.175","0.001","63.795","0.001","1466.53","0.08","203","2","203","2","","","","","","","","6","P -1","-P 1","2","Monospiro(1,2-phenylenedioxy)tetrakis(parafluorophenoxy)cyclotriphosphazene","","","- C30 H20 F4 N3 O6 P3 -","- C30 H20 F4 N3 O6 P3 -","- C60 H40 F8 N6 O12 P6 -","2","1","FG1172","Vij, A.; Staples, R. J.; Kirchmeier, R. L.; Shreeve, J. M.","Monospiroaryloxyphosphazenes: <i>p</i>-Fluorophenoxy Derivatives Containing the 1,2-Phenylenedioxy and 2,3-Naphthalenedioxy Groups","Acta Crystallographica Section C","1996","52","10","2515","2520","10.1107/S0108270196005859","","","0.71073","MoKα","","0.0597","0.0454","","0.1157","0.1051","","","","1.037","1.046","1.046","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005502","8.1325","0.0001","26.5942","0.0003","29.8727","0.0005","90","","90","","90","","6460.79","0.15","203","2","203","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Monospiro(2,3-naphthalenedioxy)tetrakis(parafluorophenoxy)cyclotriphosphazene","","","- C34 H22 F4 N3 O6 P3 -","- C34 H22 F4 N3 O6 P3 -","- C272 H176 F32 N24 O48 P24 -","8","1","FG1172","Vij, A.; Staples, R. J.; Kirchmeier, R. L.; Shreeve, J. M.","Monospiroaryloxyphosphazenes: <i>p</i>-Fluorophenoxy Derivatives Containing the 1,2-Phenylenedioxy and 2,3-Naphthalenedioxy Groups","Acta Crystallographica Section C","1996","52","10","2515","2520","10.1107/S0108270196005859","","","0.71073","MoKα","","0.0777","0.0468","","0.1125","0.0818","","","","1.085","1.149","1.149","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005503","9.676","0.002","6.579","0.002","11.215","0.002","90","","90","","90","","713.9","0.3","213","2","213","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","3-Hydroxy-2-methyl-4H-pyran-4-on-4-ium Chloride","","- C6 H7 Cl O3 -","- C6 H7 Cl O3 -","- C24 H28 Cl4 O12 -","4","0.5","FG1175","Bilodeau, D.; Beauchamp, A. L.","Maltol Hydrochloride","Acta Crystallographica Section C","1996","52","10","2633","2636","10.1107/S0108270196005550","","","1.54056","CuKα","","0.0337","0.0267","","0.0713","0.0689","","","","0.973","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005504","12.846","0.002","13.608","0.002","11.146","0.001","90","","91.89","0.01","90","","1947.4","0.5","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","(E)-2-Acetylcinnamic Acid","(E)-2-acetyl-3-phenylpropenoic acid","","- C11 H10 O3 -","- C11 H10 O3 -","- C88 H80 O24 -","8","1","FG1176","Coté, M. L.; Thompson, H. W.; Lalancette, R. A.; Williams, IV, J. A.","(<i>E</i>)-2-Acetylcinnamic Acid: Hydrogen-Bonding Pattern of an α,β-Unsaturated β'-Keto Acid","Acta Crystallographica Section C","1996","52","10","2612","2614","10.1107/S0108270196005860","","","0.71073","MoKα","","0.0803","0.0436","","0.1197","0.1081","","","","0.858","1.055","1.055","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005505","9.519","0.003","11.446","0.004","11.65","0.004","108.67","0.03","104.86","0.03","94.68","0.03","1143.6","0.7","178","2","178","2","","","","","","","","5","P -1","-P 1","2","","Difluorobis(diphenylphosphino)methane disulfide","","- C25 H20 F2 P2 S2 -","- C25 H20 F2 P2 S2 -","- C50 H40 F4 P4 S4 -","2","1","FG1184","Jones, P. G.; Bembenek, E.","Derivatives of Bis(diphenylphosphino)difluoromethane: the Disulfide Ph~2~P(= S)CF~2~P(= S)Ph~2~ and the Bis[chlorogold(I)] Complex Ph~2~P(AuCl)CF~2~P(AuCl)Ph~2~","Acta Crystallographica Section C","1996","52","10","2396","2399","10.1107/S0108270196004404","","","0.71073","MoKα","","0.0562","0.0383","","0.105","0.0937","","","","1.021","1.064","1.064","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005506","12.998","0.004","13.719","0.003","13.873","0.003","90","","90","","90","","2473.8","1.1","178","2","178","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Difluorobis(diphenylphosphino)methane bis(chlorogold(I))","","- C25 H20 Au2 Cl2 F2 P2 -","- C25 H20 Au2 Cl2 F2 P2 -","- C100 H80 Au8 Cl8 F8 P8 -","4","1","FG1184","Jones, P. G.; Bembenek, E.","Derivatives of Bis(diphenylphosphino)difluoromethane: the Disulfide Ph~2~P(= S)CF~2~P(= S)Ph~2~ and the Bis[chlorogold(I)] Complex Ph~2~P(AuCl)CF~2~P(AuCl)Ph~2~","Acta Crystallographica Section C","1996","52","10","2396","2399","10.1107/S0108270196004404","","","0.71073","MoKα","","0.0598","0.0405","","0.0945","0.0864","","","","0.974","1.001","1.001","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005507","10.6814","0.0015","20.22","0.005","11.467","0.002","90","","90","","90","","2476.6","0.8","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Chlorotris-(p-methylsulphonylphenyl)Tin(IV)","","- C21 H21 Cl O6 S3 Sn -","- C21 H21 Cl O6 S3 Sn -","- C84 H84 Cl4 O24 S12 Sn4 -","4","1","FG1190","Wharf, I.; Lebuis, A.-M.; Lamparski, H.","Chlorotris(<i>p</i>-methylsulfonylphenyl)tin(IV)","Acta Crystallographica Section C","1996","52","10","2477","2480","10.1107/S0108270196007792","","","0.7093","MolybdenumKα","","0.075","0.0478","","0.0827","0.0755","","","","1.027","1.106","1.106","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005508","7.3431","0.0009","15.305","0.002","14.475","0.003","90","","97.25","0.02","90","","1613.8","0.4","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Chlorobis(methylcyclopentadienyl)pentafluorophenyltitanium(IV)","","- C18 H14 Cl F5 Ti -","- C18 H14 Cl F5 Ti -","- C72 H56 Cl4 F20 Ti4 -","4","1","FG1195","Kienitz, C. O.; Thöne, C.; Jones, P. G.","Chlorobis(η^5^-methylcyclopentadienyl)(2,3,4,5,6-pentafluorophenyl)titanium(IV)","Acta Crystallographica Section C","1996","52","10","2402","2404","10.1107/S0108270196006981","","","0.71073","MoKα","","0.0468","0.0401","","0.1236","0.108","","","","1.068","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005509","9.657","0.004","10.749","0.003","10.996","0.003","90","","110.44","0.03","90","","1069.6","0.6","166","2","166","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-5-bis(ferrocenyl)naphthalene","","- C30 H24 Fe2 -","- C30 H24 Fe2 -","- C60 H48 Fe4 -","2","0.5","FG1200","McAdam, C. J.; Robinson, B. H.; Simpson, J.","1,5-Diferrocenylnaphthalene","Acta Crystallographica Section C","1996","52","10","2404","2406","10.1107/S0108270196007305","","","0.71073","MoKα","","0.0559","0.0382","","0.0892","0.0854","","","","0.901","1.025","1.025","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005510","8.1522","0.0012","8.891","0.0008","8.9605","0.0008","82.552","0.008","89.561","0.004","63.421","0.004","575","0.11","173","2","173","2","","","","","","","","6","P 1","P 1","1","","(cis-1,2-Dichlorovinyl)bis(dimethylglyoximato-N,N')(pyridine)cobalt(III) Chloroform Solvate","","- C16 H21 Cl5 Co N5 O4 -","- C16 H21 Cl5 Co N5 O4 -","- C16 H21 Cl5 Co N5 O4 -","1","1","FG1202","Jones, P. G.; Yang, L.; Steinborn, D.","(<i>cis</i>-1,2-Dichlorovinyl)bis(dimethylglyoximato-<i>N</i>,<i>N</i>')(pyridine-<i>N</i>)cobalt(III) Chloroform Solvate, [Co(dmgH)~2~(py)(CCl=CHCl)].CHCl~3~","Acta Crystallographica Section C","1996","52","10","2399","2402","10.1107/S0108270196007810","","","0.71073","MoKα","","0.0303","0.0291","","0.0752","0.0746","","","","1.053","1.063","1.063","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005511","12.013","0.002","10.61","0.002","15.634","0.003","90","","103.08","0.03","90","","1941","0.7","243","2","243","","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(tert-butylthio)germanium-Imide trimer","","- C24 H57 Ge3 N3 S6 -","- C24 H57 Ge3 N3 S6 -","- C48 H114 Ge6 N6 S12 -","2","1","FG1205","George, C.; Purdy, A. P.","Bis(<i>tert</i>-butylthiolato-<i>S</i>)germanium‒Imide Trimer","Acta Crystallographica Section C","1996","52","10","2489","2491","10.1107/S0108270196007822","","","1.54178","CuKα","","0.0582","0.0512","","0.132","0.1258","","","","1.038","1.043","1.043","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005512","15.7353","0.002","15.7353","","5.2803","0.0017","90","","90","","90","","1307.4","0.5","","","298","","","","","","","","","3","I -4","I -4","82","","benzenecarboximidamide","","- C7 H8 N2 -","- C7 H8 N2 -","- C56 H64 N16 -","8","1","HA1142","Barker, J.; Phillips, P. R.; Wallbridge, M. G. H.; Powell, H. R.","Benzamidine","Acta Crystallographica Section C","1996","52","10","2617","2619","10.1107/S0108270196006282","","","1.5418","CuKα","","","0.034","","","0.029","","","","","0.957","0.957","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005513","10.552","0.001","24.993","0.0018","7.97","0.001","90","","90","","90","","2101.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","α-5-Adamantyl-4'-thio-2'-deoxyuridine methanol solvate","","- C20 H30 N2 O5 S -","- C20 H30 N2 O5 S -","- C80 H120 N8 O20 S4 -","4","1","HA1160","Sun, M.; Basnak, I.; Hamor, T. A.; Walker, R. T.","α-5-Adamantyl-4'-thio-2'-deoxyuridine Methanol Solvate","Acta Crystallographica Section C","1996","52","10","2556","2558","10.1107/S010827019600529X","","","0.71069","MoKα","","0.038","0.0345","","0.1049","0.0954","","","","1.049","0.963","0.963","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005514","7.495","0.001","12.18","0.001","13.75","0.001","90","","104.38","0.01","90","","1215.9","0.2","150","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","6-(4-Methoxyphenyl)thieno[2,3-d]-1,3-dithiole-2-thione","","- C12 H8 O S4 -","- C12 H8 O S4 -","- C48 H32 O4 S16 -","4","1","HA1162","Ozturk, T.; Wallis, J. D.","6-(4-Methoxyphenyl)thieno[2,3-<i>d</i>][1,3]dithiole-2-thione at 150K","Acta Crystallographica Section C","1996","52","10","2552","2554","10.1107/S0108270196005264","","","0.71069","MoKα","","0.0632","0.0551","","0.1312","0.1288","","","","1.011","1.098","1.098","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005515","4.6709","0.0002","14.9289","0.0007","9.0408","0.0009","90","","90.131","0.011","90","","630.43","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","l-Histidyl-l-alanine dihydrate","l-Histidyl-l-alanine dihydrate","","- C9 H18 N4 O5 -","- C9 H18 N4 O5 -","- C18 H36 N8 O10 -","2","1","HA1164","Steiner, Th.","<small>L</small>-Histidyl-<small>L</small>-alanine Dihydrate","Acta Crystallographica Section C","1996","52","10","2554","2556","10.1107/S0108270196006804","","","1.54176","CuKα","","0.0219","0.0204","","0.0564","0.0545","","","","1.072","1.077","1.077","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005516","10.516","0.003","12.855","0.004","11.623","0.002","90","","109.1","0.02","90","","1484.7","0.7","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Br N5 O2 -","- C11 H16 Br N5 O2 -","- C44 H64 Br4 N20 O8 -","4","1","HU1107","Janes, R. W.; Palmer, R. A.","3,5-Diamino-6-(2-bromophenyl)-1,2,4-triazine Dimethanol Solvate: an Analogue of Lamotrigine","Acta Crystallographica Section C","1996","52","10","2627","2629","10.1107/S010827019501300X","","","1.54178","CuKα","","","0.0496","","","0.0577","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005517","11.89","0.002","12.286","0.003","13.579","0.003","90","","94.32","0.02","90","","1978","0.7","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dicaesium ethyltrimethylammonium heptaphosphide-ammonia (1/2)","","- C5 H20 Cs2 N3 P7 -","- C5 H20 Cs2 N3 P7 -","- C20 H80 Cs8 N12 P28 -","4","1","JZ1122","Korber, N.; Daniels, J.","Dicaesium Ethyltrimethylammonium Heptaphosphide‒Ammonia (1/2)","Acta Crystallographica Section C","1996","52","10","2454","2457","10.1107/S0108270196005902","","","0.71073","MoKα","","0.0441","0.0408","","0.1073","0.1055","","","","1.199","1.221","1.221","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005518","10.51","0.001","10.438","0.001","19.012","0.002","90","","103.552","0.007","90","","2027.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(1,2-bis(4-pyridyl)ethane)cadmium(II) Tetracyanonickelate(II) -m-Xylene","","- C44 H44 Cd N8 Ni -","- C44 H44 Cd N8 Ni -","- C88 H88 Cd2 N16 Ni2 -","2","0.5","KA1143","Güneş, B.; Soylu, H.; Özbey, S.; Tufan, Y.; Karacan, N.","Bis(1,2-di-4-pyridylethane-<i>N</i>:<i>N</i>')cadmium(II) Tetracyanonickelate(II) <i>m</i>-Xylene Solvate","Acta Crystallographica Section C","1996","52","10","2425","2427","10.1107/S0108270196005380","","","0.71073","MoKα","","","0.0542","","0.1189","","","","","1.495","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005519","9.003","0.002","11.142","0.003","7.568","0.002","90","","99.51","0.02","90","","748.7","0.3","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H12 Mn2 O16 -","- C8 H4 Mn2 O16 -","- C16 H8 Mn4 O32 -","2","1","KA1155","Ruiz-Pérez, C.; Hernández-Molina, M.; González-Silgo, C.; López, T.; Yanes, C.; Solans, X.","Polymeric (Aqua-1κ<i>O</i>)bis[(<i>R</i>,<i>R</i>)-tartrato-1κ^2^<i>O</i>^1^,<i>O</i>^2^:2κ^2^<i>O</i>^3^,<i>O</i>^4^]dimanganese(II) Trihydrate","Acta Crystallographica Section C","1996","52","10","2473","2475","10.1107/S0108270196006427","","","0.71073","MoKα","","","0.068","","","0.2053","","","","","1.116","1.116","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005520","10.1646","0.0007","8.8048","0.0006","13.157","0.001","90","","96.327","0.006","90","","1170.34","0.14","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(n-propyl)-2-oxy-1-naphthaldimine","","- C14 H15 N O -","- C14 H15 N O -","- C56 H60 N4 O4 -","4","1","KA1185","Kaitner, B.; Pavlovic, G.","A Reinvestigation of the Quinoidal Effect in <i>N</i>-<i>n</i>-Propyl-2-oxo-1-naphthylidenemethylamine","Acta Crystallographica Section C","1996","52","10","2573","2575","10.1107/S0108270196005495","","","0.71073","MolybdenumKα","","","0.036","","","0.058","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005521","10.372","0.003","10.787","0.002","13.571","0.003","74.35","0.02","74.37","0.02","87.03","0.02","1407.7","0.6","292","","292","","","","","","","","","6","P -1","-P 1","2","","Tetrakis(creatinine)platinum(II) Dithiocyanate","","- C18 H28 N14 O4 Pt S2 -","- C18 H28 N14 O4 Pt S2 -","- C36 H56 N28 O8 Pt2 S4 -","2","1","KA1187","Macíček, J.; Gencheva, G.; Mitewa, M.","Tetrakis(creatinine)platinum(II) Dithiocyanate","Acta Crystallographica Section C","1996","52","10","2429","2432","10.1107/S0108270196007901","","","0.71073","MoKα","","0.06","0.034","","0.041","0.046","","","","2.285","0.884","0.884","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005522","10.604","0.005","13.327","0.003","32.664","0.009","90","","90","","90","","4616","3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","11,12,4""-tri-O-methylazithromycin monohydrate","","- C41 H80 N2 O13 -","- C41 H80 N2 O13 -","- C164 H320 N8 O52 -","4","1","KA1189","Kamenar, B.; Košutić Hulita, N.; Vicković, I.; Kobrehel, G.; Lazarevski, G.","11,12,4''-Tri-<i>O</i>-methylazithromycin Monohydrate","Acta Crystallographica Section C","1996","52","10","2566","2568","10.1107/S0108270196005409","","","1.54178","CuKα","","0.1602","0.0624","","0.2176","0.1758","","","","0.952","1.316","1.316","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005523","10.175","0.008","14.146","0.014","39.575","0.035","90","","90","","90","","5696","9","153","2","153","4","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis(bis(1,10-phenanthroline)cyanocopper(II) isothiocyanate) Phenanthroline Pentahemihydrate","","- C64 H51 Cu2 N14 O5.5 S2 -","- C64 H51 Cu2 N14 O5.5 S2 -","- C256 H204 Cu8 N56 O22 S8 -","4","1","KA1199","Potočňák, I.; Dunaj-Jurčo, M.; Mikloš, D.","Cyanobis(1,10-phenanthroline-<i>N</i>,<i>N</i>')copper(II) Isothiocyanate‒Phenanthroline‒Water (2/1/5.5)","Acta Crystallographica Section C","1996","52","10","2406","2409","10.1107/S0108270196006993","","","0.71069","MoKα","","0.1001","0.0673","","0.2088","0.1635","","","","0.99","1.018","1.018","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2005524","9.18","0.0009","7.344","0.0007","25.385","0.003","90","0.02","91.22","0.02","90","0.02","1711","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3-amidyl-3-metoxy-2-nitroso-acrylonitrile)-bipyridine- dicyanamidecopper(II)","","- C16 H12 Cu N8 O2 -","- C16 H12 Cu N8 O2 -","- C64 H48 Cu4 N32 O8 -","4","1","KA1203","Dunaj-Jurčo, M.; Mikloš, D.; Potočňák, I.; Jäger, L.","Addition of Methanol to Copper(II)-Coordinated Dicyanonitrosomethanide: (3-Amino-3-methoxy-2-nitrosoacrylonitrilato-<i>N</i>^2^,<i>N</i>^3^)(bipyridine-<i>N</i>,<i>N</i>')(dicyanamido-<i>N</i>)copper(II)","Acta Crystallographica Section C","1996","52","10","2409","2412","10.1107/S0108270196009766","","","0.71069","MoKα","","0.1176","0.0436","","0.1078","0.0905","","","","0.929","1.106","1.106","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005525","21.094","0.004","10.022","0.003","17.293","0.004","90","","90.18","0.02","90","","3655.8","1.5","293","1","293","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,2-[3,4-Dihydro-2-(5-methoxyphenyl)-2H-pyrrolo)[60]fullerene","","- C70 H9 N O S2 -","- C70 H9 N O S2 -","- C280 H36 N4 O4 S8 -","4","1","KA1208","Ramm, M.; Luger, P.; Averdung, J.; Mattay, J.","1,2-[3,4-Dihydro-2-(4-methoxyphenyl)-2<i>H</i>-pyrrolo][60]fullerene Carbon Disulfide","Acta Crystallographica Section C","1996","52","10","2590","2594","10.1107/S0108270196009742","","","1.54178","CuKα","","0.1","0.0451","","0.1211","0.1094","","","","0.881","1.116","1.116","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005526","12.909","0.003","8.174","0.002","11.302","0.002","90","","94.82","0.03","90","","1188.3","0.5","296","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 Cl4 -","- C12 H6 Cl4 -","- C48 H24 Cl16 -","4","0.5","KH1067","Miao, X.-S.; Chu, S.-G.; Xu, X.-B.; Jin, X.-L.","2,2',5,5'-Tetrachlorobiphenyl (PCB 52)","Acta Crystallographica Section C","1996","52","10","2582","2583","10.1107/S0108270196006555","","","0.71073","MoKα","","","0.077","","","0.094","","","","","0.97","0.97","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005527","9.324","0.003","16.59","0.005","18.978","0.002","90","","90.39","0.02","90","","2935.5","1.3","293","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","μ-chloro-μ-hydroxybis{dichloro bis(tetrahydrofuran)vanadium(III)} tetrahydrofuran solvate","","- C20 H41 Cl5 O6 V2 -","- C20 H41 Cl5 O6 V2 -","- C80 H164 Cl20 O24 V8 -","4","1","KH1082","M. Kondo; T. Ohrui; S. Kawata; S. Kitagawa","A Divanadium(III) Complex Bridged by Cl^{-^} and OH^{-^} Anions","Acta Crystallographica Section C","1996","52","10","2448","2450","10.1107/S0108270196006543","","","0.7107","MoKα","","","0.047","","","0.032","","","","","1.8","1.8","","","","","has coordinates","209447","2020-10-21","18:00:00",""
"2005528","10.387","0.007","10.63","0.01","8.016","0.008","111.76","0.08","103.34","0.07","104.2","0.07","744.3","1.4","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 Mo2 O14 P2 -","- C24 H32 Mo2 O14 P2 -","- C24 H32 Mo2 O14 P2 -","1","0.5","KH1083","Qiu, P.; Guo, G.; Huang, X.","A Methoxycarbonyl-Substituted Cyclopentadienyl‒Dicarbonyl‒Trimethylphosphite‒Molybdenum Complex Dimer, [Mo(η^5^-MeO~2~C~2~Cp){P(OMe)~3~}(CO)~2~]~2~","Acta Crystallographica Section C","1996","52","10","2484","2486","10.1107/S0108270196007275","","","0.71073","MoKα","","","0.05","","","0.054","","","","","1.13","1.13","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005529","6.271","0.001","6.376","0.001","8.169","0.001","96.45","0.01","103.86","0.01","103.87","0.01","302.84","0.08","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- As2 Ga K O7 -","- As2 Ga K O7 -","- As4 Ga2 K2 O14 -","2","1","KH1086","Lin, K.-J.; Lii, K.-H.","KGaAs~2~O~7~","Acta Crystallographica Section C","1996","52","10","2387","2389","10.1107/S0108270196005112","","","0.71069","MolybdenumKα","","0.037","0.033","","0.041","0.041","","","","","2.43","2.43","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005530","6.663","0.002","6.861","0.003","15.721","0.002","93.16","0.03","94.31","0.02","111.13","0.03","665.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","trans-tetraaquobis(tricyanomelamine)cobalt(II) hexahydrate","","- C12 H24 Co N18 O10 -","- C12 H24 Co N18 O10 -","- C12 H24 Co N18 O10 -","1","0.5","KH1099","Abrahams, B. F.; Egan, S. J.; Hoskins, B. F.; Robson, R.","<i>trans</i>-Tetraaquabis(<i>N</i>,<i>N</i>',<i>N</i>''-tricyanomelamine)cobalt(II) Hexahydrate","Acta Crystallographica Section C","1996","52","10","2427","2429","10.1107/S0108270196006488","","","1.5418","CuKα","","0.0357","0.0355","","0.1006","0.1004","","","","1.084","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005531","10.598","0.002","9.184","0.002","16.683","0.003","90","0.01","108.39","0.02","90","0.01","1540.9","0.6","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(±)-3-formyl-1-methyl-2-(2-phenylethyl)Cyclohex-2-enecarboxylic acid","","- C17 H20 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","LI1144","Ghosh, S.; Mostafa, G.; Mukherjee, M.; Pal, S.; Mukherjee, A. K.","(±)-3-Formyl-1-methyl-2-(2-phenylethyl)cyclohex-2-enecarboxylic Acid: an Investigation of Disorder","Acta Crystallographica Section C","1996","52","10","2507","2510","10.1107/S0108270196005586","","","1.5418","CuKα","","0.1535","0.1052","","0.4178","0.2897","","","","1.197","1.119","1.119","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005532","11.353","0.001","9.586","0.001","14.095","0.001","90","0.01","97.36","0.01","90","0.01","1521.3","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-Methoxy-2-(4,4-dimethyl-2-oxo-butan-1-ol)-1-naphthoic-acid-lactone","","- C18 H18 O4 -","- C18 H18 O4 -","- C72 H72 O16 -","4","1","LI1147","Nayak, N. P.; Mukherjee, A. K.; Mukherjee, M.","2-(1-Hydroxy-4,4-dimethyl-2-oxobutyl)-4-methoxy-1-naphtholactone","Acta Crystallographica Section C","1996","52","10","2510","2512","10.1107/S0108270196005574","","","0.7093","MoKα","","0.0578","0.0466","","0.1273","0.1201","","","","1.038","1.117","1.117","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005533","6.124","0.002","8.407","0.003","10.277","0.003","90","","90","0.03","90","","529.1","0.3","291","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H16 O3 -","- C10 H16 O3 -","- C20 H32 O6 -","2","1","NA1217","Majzner, W. R.; Wieczorek, M. W.; Błaszczyk, J.; Kula, J.; Sikora, M.","(<i>S</i>)-(+)-Homoterpenyl Methyl Ketone","Acta Crystallographica Section C","1996","52","10","2629","2631","10.1107/S0108270196005549","","","1.54184","CuKα","","","0.042","","","0.0487","","","","","1.3698","1.3698","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2005534","6.08","0.002","13.552","0.004","13.882","0.007","90","","96.62","0.02","90","","1136.2","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Dihydrodipentalenyliron","Dihydrodipentalenyliron","","- C16 H14 Fe -","- C14.925 H13.058 Fe -","- C59.7 H52.232 Fe4 -","4","1","NA1230","Molins, E.; Maniukiewicz, W.; Miravitlles, C.; Mas, M.; Manriquez, J. M.; Chávez, I.; Oelckers, B.; Farran, J.; Briansó, J. L.","Bis(η^5^-hydropentalenyl)iron","Acta Crystallographica Section C","1996","52","10","2414","2416","10.1107/S0108270196005872","","","0.70926","MoKα","","0.0498","0.0303","","0.0908","0.081","","","","0.968","1.005","1.005","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005535","8.127","0.001","6.985","0.001","9.306","0.002","90","","97.2","0.01","90","","524.11","0.15","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","1-Fluoromethyl-1-methyl-1H,3H-thiazolo[3,4-a]benzimidazole","","- C11 H11 F N2 S -","- C11 H11 F N2 S -","- C22 H22 F2 N4 S2 -","2","0.5","NA1235","Bruno, G.; Chimirri, A.; Monforte, A. M.; Nicoló, F.; Scopelliti, R.","1-Fluoromethyl-1-methyl-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole","Acta Crystallographica Section C","1996","52","10","2531","2533","10.1107/S0108270196006026","","","0.71073","MoKα","","0.0369","0.0321","","0.0894","0.0844","","","","1.09","1.09","1.09","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005536","12.314","0.001","12.425","0.001","14.855","0.005","90","","90","","90","","2272.8","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,2R)-N-Benzyl-N-[(N-tert-butoxycarbonyl-2,2-dimethyloxazol-4-yl)- (furan-2-yl)methyl]hydroxylamine","","- C22 H30 N2 O5 -","- C22 H30 N2 O5 -","- C88 H120 N8 O20 -","4","1","NA1237","Merino, P.; Merchan, F. L.; Tejero, T.; Lanaspa, A.","Chiral Hydroxylamines. II. (1<i>R</i>,2<i>R</i>)-<i>N</i>-Benzyl-<i>N</i>-[(3-<i>tert</i>-butoxycarbonyl-2,2-dimethyloxazol-4-yl)(furan-2-yl)methyl]hydroxylamine","Acta Crystallographica Section C","1996","52","10","2536","2538","10.1107/S0108270196005185","","","0.71073","MoKα","","0.0387","0.0375","","0.1049","0.103","","","","1.045","1.05","1.05","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005537","7.016","0.002","13.603","0.002","11.551","0.002","90","","107.16","0.01","90","","1053.3","0.4","292","","292","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Tetrakis(Thiourea)cadmium perrhenate","","- C4 H16 Cd N8 O8 Re2 S4 -","- C4 H16 Cd N8 O8 Re2 S4 -","- C8 H32 Cd2 N16 O16 Re4 S8 -","2","0.5","NA1239","Petrova, R.; Angelova, O.; Bakardjieva, S.; Macícek, J.","Molecular Adducts of Inorganic Salts. VII. Cd(ReO~4~)~2~.4tu (tu = Thiourea)","Acta Crystallographica Section C","1996","52","10","2432","2434","10.1107/S0108270196007093","","","0.71073","MoKα","","0.031","0.024","","0.035","0.032","","","","0.946","0.898","0.898","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005538","8.281","0.002","20.914","0.004","9.549","0.002","90","","97.46","0.02","90","","1639.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(3,5-Ditrifluoromethylphenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","- C17 H10 F6 N2 S -","- C17 H10 F6 N2 S -","- C68 H40 F24 N8 S4 -","4","1","NA1245","Bruno, G.; Monforte, A. M.; Nicoló, F.; Scopelliti, R.; Zappalá, M.","1-[3,5-Bis(trifluoromethyl)phenyl]-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole","Acta Crystallographica Section C","1996","52","10","2533","2535","10.1107/S0108270196006476","","","0.71073","MoKα","","0.0615","0.0377","","0.086","0.0703","","","","0.964","0.964","0.964","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005539","8.707","0.001","9.313","0.001","19.869","0.001","90","","90","","90","","1611.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,2S)-2-Benzamido-2-methoxycarbonylcyclohexan-5-one-1-carboxylic acid","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","1","NA1251","Buñuel, E.; Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.","A New Conformationally Restricted Aspartic Acid Analogue with a Cyclohexanone Skeleton","Acta Crystallographica Section C","1996","52","10","2641","2644","10.1107/S0108270196008712","","","0.71069","MoKα","","0.0346","0.0321","","0.0871","0.0848","","","","1.063","1.072","1.072","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005540","11.344","0.002","11.344","0.002","4.75","0.002","90","","90","","120","","529.4","0.3","293","","","","","","","","","","","3","P 3 2 1","P 3 2""","150","","","","- Ge4 O9 Sr -","- Ge4 O9 Sr -","- Ge12 O27 Sr3 -","3","0.5","OH1096","Nishi, F.","Strontium Tetragermanate, SrGe~4~O~9~","Acta Crystallographica Section C","1996","52","10","2393","2395","10.1107/S0108270196006737","","","0.71073","MoKα","","","0.049","","","0.052","","","","","1.35","1.35","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005541","5.5464","0.00013","10.472","0.0003","3.87959","0.00008","90","","90","","90","","225.334","0.01","296","","296","","","","","","","","","3","P b a m","-P 2 2ab","55","","dicopper(II) lanthanum cuprate","","- Cu2 La2 O5 -","- Cu2 La2 O5 -","- Cu4 La4 O10 -","2","0.25","OH1097","Khasanova, N. R.; Izumi, F.; Hiroi, Z.; Takano, M.; Huang, Q.; Santoro, A.","Redetermination of the Structure of La~2~Cu~2~O~5~ by Neutron Powder Diffraction","Acta Crystallographica Section C","1996","52","10","2381","2384","10.1107/S0108270196006646","","neutron","1.5396","neutron","","0.0171","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005542","5.53528","0.00014","10.449","0.0003","3.87265","0.00008","90","","90","","90","","223.987","0.01","10","","10","","","","","","","","","3","P b a m","-P 2 2ab","55","","dicopper(II) lanthanum cuprate","","- Cu2 La2 O5 -","- Cu2 La2 O5 -","- Cu4 La4 O10 -","2","0.25","OH1097","Khasanova, N. R.; Izumi, F.; Hiroi, Z.; Takano, M.; Huang, Q.; Santoro, A.","Redetermination of the Structure of La~2~Cu~2~O~5~ by Neutron Powder Diffraction","Acta Crystallographica Section C","1996","52","10","2381","2384","10.1107/S0108270196006646","","neutron","1.5396","neutron","","0.0263","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005543","11.23","0.03","9.66","0.03","8.89","0.03","90","","98.2","0.03","90","","955","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(pentafluoro-phenyl)-trifluoro-acetamide","","- C8 H F8 N O -","- C8 H F8 N O -","- C32 H4 F32 N4 O4 -","4","1","PA1226","Mahoui, A.; Lapasset, J.; Moret, J.","α,α,α,2,3,4,5,6-Octafluoroacetanilide","Acta Crystallographica Section C","1996","52","10","2583","2585","10.1107/S0108270196005689","","","1.5418","CuKα","","0.0561","0.0476","","0.1234","0.1205","","","","1.078","1.11","1.11","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005544","7.948","0.005","10.902","0.002","8.22","0.005","90","","106.43","0.03","90","","683.2","0.6","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","2α,3α,7β,8β-diépoxy-trans-himachalane","","- C15 H24 O2 -","- C15 H24 O2 -","- C30 H48 O4 -","2","1","PA1232","Chiaroni, A.; Riche, C.; Benharref, A.; El Jamili, H.; Lassaba, E.","2α,3α:7β,8β-Diépoxy-<i>trans</i>-himachalane","Acta Crystallographica Section C","1996","52","10","2502","2504","10.1107/S0108270196005768","","","1.5418","CuKα","","","0.058","","","0.065","","","","","0.6","0.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005545","8.537","0.002","8.221","0.002","10.364","0.002","90","","104.31","0.02","90","","704.8","0.3","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","2α ,3α ,6α ,7α-diépoxyhimachalane","","- C15 H24 O2 -","- C18 H24 O2 -","- C36 H48 O4 -","2","1","PA1235","Chiaroni, A.; Riche, C.; Benharref, A.; Lassaba, E.; Baouid, A.","2α,3α:6α,7α-Diépoxyhimachalane","Acta Crystallographica Section C","1996","52","10","2504","2507","10.1107/S0108270196005756","","","1.5418","CuKα","","","0.059","","","0.07","","","","","0.59","0.59","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005546","10.566","0.001","7.88","0.001","11.572","0.001","90","","99.18","0.01","90","","951.15","0.17","298","","298","","","","","","","","","3","P 1 21 1","P 2yb","4","","2,4,6-triphenyl pyran-3,5-dicarboxaldehyde","","- C25 H18 O3 -","- C25 H18 O3 -","- C50 H36 O6 -","2","1","PA1236","Selladurai, S.; Murugesan, R.; Subramanian, K.; Chen, Y. S.; Rao, S. N.; Holt, E. M.","2,4,6-Triphenyl-4<i>H</i>-pyran-3,5-dicarboxaldehyde","Acta Crystallographica Section C","1996","52","10","2599","2601","10.1107/S0108270196006798","","","0.71073","MoKα","","","0.0377","","","0.0446","","","","","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005547","5.8088","0.0003","17.976","0.002","18.213","0.002","90","","90","","90","","1901.8","0.3","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9β-tert-butoxy-4(E)-ethylidene-8β-methyl-5-oxobicyclo[6.3.0]undean-2β- carboxylic Acid Methyl Ester","","- C20 H32 O4 -","- C20 H32 O4 -","- C80 H128 O16 -","4","1","SK1014","Mague, J. T.; Li, C.-J.; Chen, D.-L.; Lu, Y.-Q.; Haberman, J. X.","Product of a Novel Carbocyclic Enlargement in Aqueous Media: 9β-<i>tert</i>-Butoxy-4-(<i>E</i>)-ethylidene-8β-methyl-5-oxobicyclo[6.3.0]undecan-2β-carboxylic Acid Methyl Ester","Acta Crystallographica Section C","1996","52","10","2597","2599","10.1107/S0108270196006270","","","0.71073","MoKα,graphitemonochromated","","0.076","0.043","","","0.06","","","","","2.006","2.006","","","","","has coordinates,has Fobs","208466","2020-10-21","18:00:00",""
"2005548","9.973","0.001","10.741","0.001","27.527","0.003","90","","90","","90","","2948.7","0.5","198","2","198","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2aS,3S,6S,7S,7bR)-2-oxo-6-[(1R,2S)-2-phenylcyclohexyloxy]-8- [(dimethylphenyl)silyl]-2a,3,6,7,7a,7b-hexahydro-2H-1,4,5-trioxa-4a- azacyclopenta[cd]indene-3-carboxylic Acid 1-Methylethyl Ester","","- C31 H39 N O7 Si -","- C31 H39 N O7 Si -","- C124 H156 N4 O28 Si4 -","4","1","SK1015","Thorarensen, A.; Swiss, K. A.; Denmark, S. E.","(2a<i>S</i>,3<i>S</i>,6<i>S</i>,7<i>S</i>,7b<i>R</i>)-7-[(Dimethylphenyl)silyl]-2-oxo-6-[(1<i>R</i>,2<i>S</i>)-2-phenylcyclohexyloxy]-2a,3,6,7,7a,7b-hexahydro-2<i>H</i>-1,4,5-trioxa-4a-azacyclopenta[<i>cd</i>]indene-3-carboxylic Acid 1-Methylethyl Ester","Acta Crystallographica Section C","1996","52","10","2558","2561","10.1107/S0108270196005434","","","0.71073","MoKα","","0.1905","0.0905","","0.1653","0.1245","","","","1.116","1.236","1.236","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005549","16.68","0.001","8.886","0.001","8.054","0.001","90","","90","","90","","1193.8","0.2","200","2","200","2","","","","","","","","3","P b c n","-P 2n 2ab","60","diethyl 2,5-dihydroxyterephthalate","","","- C12 H14 O6 -","- C12 H14 O6 -","- C48 H56 O24 -","4","0.5","SK1017","Näther, C.; Bock, H.; Seitz, W.; Nagel, N.","Diethyl 2,5-Dihydroxyterephthalate at 200K","Acta Crystallographica Section C","1996","52","10","2631","2633","10.1107/S0108270196005306","","","0.71073","MoKα","","0.0575","0.0377","","0.1185","0.1066","","","","1.04","1.097","1.097","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005550","7.912","0.004","10.307","0.005","11.533","0.009","69.09","0.04","87.72","0.03","84.06","0.06","873.8","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,2'-Bipyridinium salt of benzene-1,2,4,5-tetracarboxylic acid","","- C20 H14 N2 O8 -","- C20 H14 N2 O8 -","- C40 H28 N4 O16 -","2","1","SK1020","Mrvos-Sermek, D.; Popovic, Z.; Matkovic-Calogovic, D.","Hydrogen Bonding in the 2,2'-Bipyridinium Salt of 1,2,4,5-Benzenetetracarboxylic Acid (Pyromellitic Acid)","Acta Crystallographica Section C","1996","52","10","2538","2541","10.1107/S0108270196003940","","","0.71073","MoKα","","0.0993","0.0434","","0.125","0.1032","","","","1.008","1.14","1.14","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005551","7.135","0.001","8.338","0.002","10.089","0.002","80.53","0.03","71.16","0.03","67.56","0.03","524.5","0.2","293","2","153","1","","","","","","","","5","P -1","-P 1","2","","Tetraaqua(orotato)magnesium(II) Hydrate","","- C5 H12 Mg N2 O9 -","- C5 H12 Mg N2 O9 -","- C10 H24 Mg2 N4 O18 -","2","1","SK1023","Mutikainen, I.; Hämäläinen, R.; Klinga, M.; Orama, O.; Turpeinen, U.","Triclinic Form of Tetraaqua(orotato-<i>N</i>,<i>O</i>)magnesium(II) Hydrate at 153K","Acta Crystallographica Section C","1996","52","10","2480","2482","10.1107/S0108270196006567","","","0.71073","MoKα","","0.0334","0.0328","","0.0859","0.0855","","","","1.06","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005552","11.852","0.004","15.559","0.003","11.254","0.004","98.3","0.02","115.7","0.03","89.4","0.02","1847.3","1.1","150","2","150","","","","","","","","","4","P -1","-P 1","2","","diethylgallium","","- C44 H46 Ga2 O2 -","- C44 H46 Ga2 O2 -","- C88 H92 Ga4 O4 -","2","1","SK1027","Webster, M.; Browning, D. J.; Corker, J. M.","Bis[(μ-2,6-diphenylphenoxido-<i>O</i>:<i>O</i>)diethylgallium]","Acta Crystallographica Section C","1996","52","10","2439","2441","10.1107/S010827019600755X","","","0.71069","MoKα","","0.0409","0.0313","","0.091","0.0844","","","","0.985","1.002","1.002","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005553","8.7043","0.001","14.988","0.002","5.5288","0.0006","93.431","0.011","99.22","0.009","100.388","0.01","697.37","0.15","150","2","150","","","","","","","","","4","P -1","-P 1","2","","Bis(1,2-bis(n-butylthioethylene)-1,2-dithiolato-S,S')-nickel","","- C20 H36 Ni S8 -","- C20 H36 Ni S8 -","- C20 H36 Ni S8 -","1","0.5","SK1028","Charlton, A.; Kilburn, J. D.; Underhill, A. E.; Webster, M.","A Second Triclinic Polymorph of Bis[1,2-bis(<i>n</i>-butylthio)ethylene-1,2-dithiolato-<i>S</i>,<i>S</i>']nickel","Acta Crystallographica Section C","1996","52","10","2441","2442","10.1107/S010827019600769X","","","0.71069","MoKα","","0.0578","0.0343","","0.1047","0.089","","","","1.067","1.068","1.068","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005554","20.753","0.007","4.017","0.001","17.476","0.003","90","","93.25","0.02","90","","1454.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","furylbenzothiazol","3,4-bis-(2-benzothiazolyl)furan","","- C18 H10 N2 O S2 -","- C18 H10 N2 O S2 -","- C72 H40 N8 O4 S8 -","4","1","SK1029","Mrvos-Sermek, D.; Tralic-Kulenovic, V.; Nagl, A.; Fiser-Jakic, L.","3,4-Bis(1,3-benzothiazol-2-yl)furan","Acta Crystallographica Section C","1996","52","10","2541","2543","10.1107/S0108270196005446","","","0.7107","MoKα","","0.0448","0.044","","0.1088","0.1079","","","","1.036","1.036","1.036","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005555","18.616","0.003","18.616","0.003","7.448","0.001","90","","90","","90","","2581.1","0.7","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","tetrakis(N-methylimdazole)zinc(II) perchlorate","","- C16 H24 Cl2 N8 O8 Zn -","- C16 H24 Cl2 N8 O8 Zn -","- C64 H96 Cl8 N32 O32 Zn4 -","4","0.25","SK1031","Chen, X.-M.; Huang, X.-C.; Xu, Z.-T.; Huang, X.-Y.","Tetrakis(1-methylimidazole-<i>N</i>^3^)zinc(II) Diperchlorate","Acta Crystallographica Section C","1996","52","10","2482","2484","10.1107/S0108270196007706","","","0.71069","MoKα","","0.0587","0.0534","","0.1509","0.1454","","","","1.112","1.153","1.153","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005556","10.388","0.002","16.781","0.007","11.234","0.002","90","","115.6","0.02","90","","1766.1","0.9","138","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C30 H30 O2 Te6 Ti6 -","- C30 H30 O2 Te6 Ti6 -","- C60 H60 O4 Te12 Ti12 -","2","0.5","SZ1028","Gindelberger, D. E.","[(CpTi)~6~(μ~3~-Te)~6~(μ~3~-O)~2~]","Acta Crystallographica Section C","1996","52","10","2493","2495","10.1107/S0108270196004854","","","0.71073","MoKα","","","0.0318","","","0.0373","","","","","1.543","1.543","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005557","7.1195","0.0006","9.5287","0.0008","12.3059","0.0008","82.08","0.007","75.48","0.006","76.48","0.007","782.98","0.11","295","","295","","","","","","","","","3","P -1","-P 1","2","","","","- C10 H6 O3 -","- C10 H6 O3 -","- C40 H24 O12 -","4","2","AB1365","Dekkers, J.; Kooijman, H.; Kroon, J.; Grech, E.","2-Hydroxy-1,4-naphthoquinone","Acta Crystallographica Section C","1996","52","11","2896","2899","10.1107/S0108270196007664","","","0.71073","MoKα","","","0.0424","","0.1258","0.1258","","","","1.072","1.072","1.072","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005558","39.326","0.005","5.988","0.001","15.109","0.003","90","","92.21","0.01","90","","3555.3","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 N2 Ni O S -","- C22 H16 N2 Ni O S -","- C176 H128 N16 Ni8 O8 S8 -","8","1","AB1375","Elerman, Y.; Svoboda, I.","[<i>N</i>-(2-Mercaptophenyl)-2-hydroxynaphthaldiminato](pyridine)nickel(II)","Acta Crystallographica Section C","1996","52","11","2705","2707","10.1107/S0108270196008281","","","0.71069","MoKα","","0.043","0.026","","0.07","0.064","","","","1.029","1.062","1.062","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005559","13.907","0.001","14.476","0.001","17.174","0.001","80.993","0.005","87.729","0.004","74.382","0.005","3288.7","0.4","298","","","","","","","","","","","3","P -1","-P 1","2","","","","- C74 H72 S8 -","- C74 H72 S8 -","- C148 H144 S16 -","2","1","AB1379","Downing, G. A.; MacNicol, D. D.; Mallinson, P. R.; Milligan, P. K.","Octakis(3,5-dimethylphenylthio)naphthalene","Acta Crystallographica Section C","1996","52","11","2887","2889","10.1107/S0108270196007299","","","0.71069","MoKα","","","0.042","","","0.063","","","","","0.67","0.67","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2005560","8.304","0.003","11.163","0.005","11.802","0.006","102.08","0.03","98.93","0.03","109.48","0.02","978","0.8","150","0.2","150","0.2","","","","","","","","4","P -1","-P 1","2","","3-(di-isopropylamino)prop-2-enal","","- C9 H17 N O -","- C9 H15.588 N O -","- C36 H62.352 N4 O4 -","4","2","AB1382","Blake, A. J.; McNab, H.; Monahan, L. C.; Parsons, S.; Stevenson, E.","Two C-Unsubstituted Enaminals","Acta Crystallographica Section C","1996","52","11","2814","2818","10.1107/S0108270196007020","","","0.71073","MoKα","","0.0897","0.0638","","0.1844","0.1598","","","","0.984","1.021","1.021","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005561","8.3438","0.0008","14.8912","0.0015","15.5405","0.0013","90","","90","","90","","1930.9","0.3","150","0.2","150","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-[N-(1,2,3,4-tetrahydroquinolinyl)]prop-2-enal","","- C12 H13 N O -","- C12 H13 N O -","- C96 H104 N8 O8 -","8","1","AB1382","Blake, A. J.; McNab, H.; Monahan, L. C.; Parsons, S.; Stevenson, E.","Two C-Unsubstituted Enaminals","Acta Crystallographica Section C","1996","52","11","2814","2818","10.1107/S0108270196007020","","","0.71073","MoKα","","0.0584","0.0345","","0.1229","0.0773","","","","1.034","1.068","1.068","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005562","12.274","0.001","8.086","0.001","19.097","0.002","90","","108.24","0.01","90","","1800.1","0.3","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 N O4 -","- C18 H27 N O4 -","- C72 H108 N4 O16 -","4","1","AB1385","Özbey, S.; Temel, A.; Tunouglu, N.; Uludaug, N.","Diethyl 3-Piperidino-2,7-cycloheptadiene-1,2-dicarboxylate","Acta Crystallographica Section C","1996","52","11","2890","2891","10.1107/S0108270196008189","","","0.71073","MoKα","","","0.0425","","","0.0433","","","","","1.22","1.22","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005563","12.175","0.002","3.845","0.002","22.715","0.001","90","","92.37","0.04","90","","1062.4","0.6","295","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Cl2 Cu2 N2 O4 -","- C22 H20 Cl2 Cu2 N2 O4 -","- C44 H40 Cl4 Cu4 N4 O8 -","2","0.5","AB1386","Tahir, M. N.; Ülkü, D.; Atakol, O.; Akay, A.","Bis[4-(5-chloro-2-hydroxyphenylimino-<i>N</i>,<i>O</i>:<i>O</i>)-2-penten-2-olato(2‒)-<i>O</i>]dicopper(II)","Acta Crystallographica Section C","1996","52","11","2676","2678","10.1107/S0108270196008529","","","0.71073","MoKα","","","0.049","","","0.052","","","","","1.35","1.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005564","8.021","0.002","16.864","0.003","8.311","0.002","90","","90","","90","","1124.2","0.4","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","catena-((μ~2~-succinato)(diethylenetriamine)copper(II))","","- C8 H17 Cu N3 O4 -","- C8 H17 Cu N3 O4 -","- C32 H68 Cu4 N12 O16 -","4","0.5","AB1387","Pajunen, A.; Pajunen, S.; Kivikoski, J.; Valkonen, J.","<i>catena</i>-Poly[[(diethylenetriamine-<i>N</i>,<i>N</i>',<i>N</i>'')copper(II)]-μ-succinato-<i>O</i>,<i>O</i>':<i>O</i>'']","Acta Crystallographica Section C","1996","52","11","2689","2691","10.1107/S0108270196008505","","","0.71069","MoKα","","0.0414","0.0279","","0.089","0.0685","","","","1.163","1.047","1.047","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005565","26.542","0.004","10.089","0.001","20.922","0.003","90","","133.07","0.02","90","","4092.8","1.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","9-(2-Nitrophenyl)-3,3',6,6'-tetramethylhexahydroacridin-1,8-dione","","- C23 H26 N2 O4 -","- C23 H26 N2 O4 -","- C184 H208 N16 O32 -","8","1","AB1390","Brito-Arias, M.; Ramirez, G.; Rivas, R. E.; Molins, E.; Maniukiewicz, W.","3,3,6,6-Tetramethyl-9-(2-nitrophenyl)-3,4,5,6,9,10-hexahydroacridine-1,8(2<i>H</i>,7<i>H</i>)-dione","Acta Crystallographica Section C","1996","52","11","2811","2814","10.1107/S0108270196008530","","","0.71069","MoKα","","0.1022","0.0625","","0.2188","0.1722","","","","0.996","1.07","1.07","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005566","11.568","0.002","13.156","0.003","15.387","0.005","78.54","0.03","80.39","0.02","81.39","0.02","2246.3","1","294","1","294","1","","","","","","","","6","P -1","-P 1","2","","3-Chloro-3,3-bis(triphenylphosphine)-1,2-dicarba-3-rhoda-closo-dodecaborane 1.1(dichloromethane) solvate","","- C39.1 H43.2 B9 Cl3.2 P2 Rh -","- C38 H41 B9 Cl P2 Rh -","- C76 H82 B18 Cl2 P4 Rh2 -","2","1","AB1408","Ferguson, G.; McEneaney, P. A.; Spalding, T. R.","3-Chloro-3,3-bis(triphenylphosphine-<i>P</i>)-1,2-dicarba-3-rhoda-<i>closo</i>-dodecaborane‒ Dichloromethane (1/1.1)","Acta Crystallographica Section C","1996","52","11","2710","2713","10.1107/S010827019600950X","","","0.7107","MolybdenumKα","","0.1458","0.061","","0.1364","0.1219","","","","0.852","1.193","1.193","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005567","6.222","0.002","9.778","0.002","5.966","0.002","102.83","0.02","108.44","0.02","96.57","0.02","328.97","0.18","291","","291","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 F4 O4 -","- C12 H16 F4 O4 -","- C12 H16 F4 O4 -","1","0.5","BK1152","Swenson, D. C.; Davis, C. R.; Burton, D. J.","Three 1,4-<i>trans</i>-Substituted Cyclohexanes","Acta Crystallographica Section C","1996","52","11","2844","2847","10.1107/S0108270196008104","","","0.71073","MoKα","","0","0.039","","","0.046","","","","","1.052","1.052","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005568","8.807","0.003","11.447","0.003","10.644","0.003","90","","98.54","0.03","90","","1061.2","0.6","291","","291","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C10 H14 F6 -","- C10 H14 F6 -","- C20 H28 F12 -","2","0.5","BK1152","Swenson, D. C.; Davis, C. R.; Burton, D. J.","Three 1,4-<i>trans</i>-Substituted Cyclohexanes","Acta Crystallographica Section C","1996","52","11","2844","2847","10.1107/S0108270196008104","","","0.71073","MoKα","","","0.038","","","0.049","","","","","1.088","1.088","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005569","6.808","0.001","10.747","0.002","7.929","0.001","90","","102.4","0.01","90","","566.6","0.15","291","","291","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 F8 -","- C10 H12 F8 -","- C20 H24 F16 -","2","0.5","BK1152","Swenson, D. C.; Davis, C. R.; Burton, D. J.","Three 1,4-<i>trans</i>-Substituted Cyclohexanes","Acta Crystallographica Section C","1996","52","11","2844","2847","10.1107/S0108270196008104","","","0.71073","MoKα","","","0.034","","","0.044","","","","","1.008","1.008","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005570","21.803","0.002","12.319","0.002","7.898","0.002","90","0.02","92.11","0.02","90","0.02","2119.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","praseodymium(III)tris(2,6-difluorobenzoate)monohydrate","catena-poly[aquapraseodymium(III)-μ2$-2,6-difluorobenzoato-O,O'- μ2$-2,6-difluorobenzoato-Prκ2$O,O',Pr'κO-μ2$-2,6-difluoro benzoato-PrκO,O',Pr''kappaO]","","- C21 H11 F6 O7 Pr -","- C21 H11 F6 O7 Pr -","- C84 H44 F24 O28 Pr4 -","4","1","BK1180","Karipides, A. G.; Jai-nhuknan, J.; Cantrell, J. S.","Aquatris(2,6-difluorobenzoato)praseodymium(III)","Acta Crystallographica Section C","1996","52","11","2740","2742","10.1107/S0108270196008852","","","0.71069","MoKα","","0.0391","0.0316","","0.0834","0.0757","","","","1.148","1.114","1.114","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005571","9.962","0.002","11.4","0.003","11.897","0.002","83.93","0.02","87.19","0.02","86.95","0.02","1340.3","0.5","294","","294","","","","","","","","","4","P -1","-P 1","2","","Tris(2-(2-methoxyethoxy)phenyl)phosphine oxide monohydrate","","- C27 H35 O8 P -","- C29 H40 O9 P -","- C58 H80 O18 P2 -","2","1","BK1225","Livant, P. D.; Mao, J.; Webb, T. R.","Tris[2-(2-methoxyethoxy)phenyl]phosphine Oxide Monohydrate","Acta Crystallographica Section C","1996","52","11","2924","2927","10.1107/S0108270196008906","","","0.71073","MoKα","","0.06","0.0516","","0.0881","0.0843","","","","","1.46","1.46","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005572","7.755","0.006","15.352","0.004","13.508","0.009","90","","95.73","0.06","90","","1600.2","1.7","211","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1:1) p-nitroaniline/3,5-dinitromethyl salicylate co-crystal","","- C14 H12 N4 O9 -","- C14 H12 N4 O9 -","- C56 H48 N16 O36 -","4","1","BK1232","Huang, K.-S.; Britton, D.; Etter, M. C.","<i>p</i>-Nitroaniline‒3,5-Dinitromethyl Salicylate (1:1) Co-Crystal","Acta Crystallographica Section C","1996","52","11","2868","2871","10.1107/S0108270196008864","","","0.71073","MoKα","","","0.051","","","0.067","","","","","1.8","1.8","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005573","19.05","0.002","8.9927","0.0008","10.418","0.002","90","","101.05","0.01","90","","1751.6","0.4","295","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Triphenylphosphinecarbomethoxymethylene","","- C21 H19 O2 P -","- C21 H19 O2 P -","- C84 H76 O8 P4 -","4","1","BK1237","Boyle, P. D.","Methyl Triphenylphosphoranylideneacetate: a Redetermination","Acta Crystallographica Section C","1996","52","11","2859","2861","10.1107/S0108270196007561","","","0.71069","MolybdenumKα","","0.042","0.042","","0.051","0.051","","","","","1.61","1.61","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005574","9.634","0.003","6.5478","0.0008","8.474","0.001","90","","98.86","0.02","90","","528.17","0.19","190","","190","","","","","","","","","3","P 1 2/m 1","-P 2y","12","","","","- C6 H8 O2 -","- C6 H8 O2 -","- C24 H32 O8 -","4","1","BK1244","Pinkerton, A. A.; le Drian, C.; Vogel, P.","Torturing the 7-Oxabicyclo[2.2.1]heptane Skeleton with an Oxetane Ring: 4,7-Dioxatricyclo[3.2.1.0^3,6^]octane at 190K","Acta Crystallographica Section C","1996","52","11","2927","2929","10.1107/S010827019600889X","","","0.7093","MoKα","","0.035","0.032","","","0.051","","","","","2.81","2.81","","","","","has coordinates","198533","2020-10-21","18:00:00",""
"2005575","10.513","0.003","11.182","0.002","11.206","0.002","90","","97.18","0.02","90","","1307","0.5","294.2","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N2 S2 -","- C12 H18 N2 S2 -","- C48 H72 N8 S8 -","4","1","BK1249","Fleming, F. F.; Hussain, Z.; Mullaney, M.; Norman, R. E.; Chang, S.-C.","(8<i>R</i>,8a<i>S</i>)-Indolizidine-1-spiro-2'-(1',3'-dithiane)-8-carbonitrile","Acta Crystallographica Section C","1996","52","11","2849","2851","10.1107/S0108270196007548","","","0.7107","MoKα","","","0.06","","","0.076","","","","","1.92","1.92","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005576","5.58","0.001","4.916","0.001","30.174","0.002","90","","91.74","0.02","90","","827.3","0.2","153","","153","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2-naphthoic acid","naphthalene-2-carboxylic acid","","- C11 H8 O2 -","- C11 H9 O2 -","- C44 H36 O8 -","4","1","BK1253","Blackburn, A. C.; Fitzgerald, L. J.; Gerkin, R. E.","2-Naphthoic Acid at 153K","Acta Crystallographica Section C","1996","52","11","2862","2864","10.1107/S0108270196008876","","","0.71073","MoKα","","","0.039","","","0.047","","","","","1.74","1.74","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005577","10.066","0.0007","13.753","0.0014","14.729","0.002","66.52","0.02","80.5","0.012","75.87","0.014","1808.4","0.4","127","2","127","2","","","","","","","","5","P -1","-P 1","2","","Chloro-(2,3,7,8,12,13,17,18-octaethylporphinato)gallium(III)","","- C37.45 H46.9 Cl3.9 Ga N4 -","- C37.449 H44 Cl3.898 Ga N4 -","- C74.898 H88 Cl7.796 Ga2 N8 -","2","1","BK1254","Brancato-Buentello, K. E.; Coutsolelos, A. G.; Scheidt, W. R.","Chloro(2,3,7,8,12,13,17,18-octaethylporphinato)gallium(III)","Acta Crystallographica Section C","1996","52","11","2707","2710","10.1107/S0108270196008116","","","0.71073","MoKα","","0.1384","0.0767","","0.1884","0.1501","","","","1.025","1.047","1.047","","","","","has coordinates","198483","2020-10-21","18:00:00",""
"2005578","8.615","0.001","9.954","0.001","29.684","0.002","90","","90","","90","","2545.5","0.4","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Z-(O-Benzoyl)-2-aci-nitro-2-phenylacetonitrile","","- C15 H10 N2 O3 -","- C15 H10 N2 O3 -","- C120 H80 N16 O24 -","8","1","BK1280","Powell, D. R.; Hanson, P. E.; Gellman, S. H.","(<i>Z</i>)-2-(Benzoyl-<i>aci</i>-nitro)-2-phenylacetonitrile","Acta Crystallographica Section C","1996","52","11","2945","2946","10.1107/S0108270196010827","","","1.54178","CuKα","","0.0398","0.037","","0.104","0.102","","","","1.095","1.12","1.12","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005579","14.5086","0.0015","34.527","0.003","3.891","0.0008","90","","91.61","0.01","90","","1948.4","0.5","294","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19.5 H15 N5 O4.5 S -","- C19.5 H13 N5 O4.43 S -","- C78 H52 N20 O17.72 S4 -","4","1","BM0002","Zhu, Y.; Liu, B.; Guo, Q.-X.; Liu, Y.-C.","(2,4-Dinitrophenyl)(10-methyl-3-phenothiazinyl)diazene Hemimethanol Solvate","Acta Crystallographica Section C","1996","52","11","2789","2791","10.1107/S0108270196007597","","","1.54184","CuKα","","","0.075","","","0.075","","","","","1.528","1.528","","","","","has coordinates","191871","2020-10-21","18:00:00",""
"2005580","9.733","0.001","10.601","0.006","13.835","0.004","93.56","0.02","94.94","0.02","94.31","0.03","1414.8","0.9","296","","","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H23 N4 P Pd S2 -","- C29 H23 N4 P Pd S2 -","- C58 H46 N8 P2 Pd2 S4 -","2","1","BM1065","Long, D.-L.; Xin, X.-Q.; Huang, X.-Y.","(Dimercaptomethylenepropanedinitrilato-<i>S</i>,<i>S</i>')(pyridine)(triphenylphosphine)palladium(II)‒Acetonitrile (1/1)","Acta Crystallographica Section C","1996","52","11","2724","2726","10.1107/S0108270196004040","","","0.71073","MoKα","","","0.037","","","0.048","","","","","1.35","1.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005581","4.81","0.003","11.175","0.005","10.887","0.005","90","","102.41","0.04","90","","571.5","0.5","300","1","300","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ammonium D,L-glycerate","ammonium D,L-glycerate","","- C3 H9 N O4 -","- C3 H9 N O4 -","- C12 H36 N4 O16 -","4","1","BM1070","Popek, T.; Lis, T.","Ammonium, Potassium and Lithium Salts of D, <small>L</small>-Glyceric Acid","Acta Crystallographica Section C","1996","52","11","2716","2720","10.1107/S0108270196007044","","","0.71073","MoKα","","0.1209","0.0418","","0.1127","0.0957","","","","1.048","1.145","1.145","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005582","4.79","0.002","10.506","0.006","10.851","0.006","90","","103.69","0.05","90","","530.5","0.5","290","1","290","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","potassium D,L-glycerate","potassium D,L-glycerate","","- C3 H5 K O4 -","- C3 H5 K O4 -","- C12 H20 K4 O16 -","4","1","BM1070","Popek, T.; Lis, T.","Ammonium, Potassium and Lithium Salts of D, <small>L</small>-Glyceric Acid","Acta Crystallographica Section C","1996","52","11","2716","2720","10.1107/S0108270196007044","","","0.71073","MoKα","","0.0337","0.0337","","0.0889","","","","","1.089","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005583","5.099","0.004","11.498","0.009","8.728","0.008","90","","104.44","0.06","90","","495.5","0.7","293","1","293","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","lithium D,L-glycerate","lithium D,L-glycerate","","- C3 H5 Li O4 -","- C3 H5 Li O4 -","- C12 H20 Li4 O16 -","4","1","BM1070","Popek, T.; Lis, T.","Ammonium, Potassium and Lithium Salts of D, <small>L</small>-Glyceric Acid","Acta Crystallographica Section C","1996","52","11","2716","2720","10.1107/S0108270196007044","","","0.71073","MoKα","","0.05","0.0324","","0.0984","0.0907","","","","1.048","1.112","1.112","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005584","5.974","0.0004","8.2261","0.0007","40.685","0.004","90","","90","","90","","1999.4","0.3","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-Phenylindazole","","- C13 H10 N2 -","- C13 H10 N2 -","- C104 H80 N16 -","8","1","BM1080","Hager, O.; Foces-Foces, C.; Jagerovic, N.; Elguero, J.; Trofimenko, S.","5-Phenylindazole","Acta Crystallographica Section C","1996","52","11","2894","2896","10.1107/S0108270196007068","","","1.5418","CuKα","","0.065","0.038","","0.057","0.044","","","","0.456","0.424","0.424","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005585","5.395","0.003","5.742","0.002","11.428","0.004","82.06","0.03","87.64","0.04","83.32","0.04","348.1","0.3","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","sodium hydrogen bis(phosphoenolpyruvate) dihydrate","","- C6 H13 Na O14 P2 -","- C6 H13 Na O14 P2 -","- C6 H13 Na O14 P2 -","1","0.5","BM1081","Lis, T.","Acid Salts of Phosphoenolpyruvic Acid (H~3~PEP): NaH~5~(PEP)~2~.2H~2~O and KH~5~(PEP)~2~","Acta Crystallographica Section C","1996","52","11","2720","2724","10.1107/S0108270196007445","","","0.71073","MoKα","","0.031","0.0265","","0.0765","0.0741","","","","1.095","1.128","1.128","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005586","11.927","0.007","6.803","0.004","17.215","0.011","90","","101.91","0.05","90","","1366.7","1.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","potassium hydrogen bis(phosphoenolpyruvate)","","- C6 H9 K O12 P2 -","- C6 H9 K O12 P2 -","- C24 H36 K4 O48 P8 -","4","1","BM1081","Lis, T.","Acid Salts of Phosphoenolpyruvic Acid (H~3~PEP): NaH~5~(PEP)~2~.2H~2~O and KH~5~(PEP)~2~","Acta Crystallographica Section C","1996","52","11","2720","2724","10.1107/S0108270196007445","","","0.71073","MoKα","","0.0832","0.0361","","0.1086","0.0954","","","","1.011","1.129","1.129","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005587","7.134","0.001","12.152","0.002","13.304","0.001","90","","90","","90","","1153.4","0.3","293","2","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C6 H6 O3 -","- C6 H6 O3 -","- C48 H48 O24 -","8","2","","Burgess, J.; Fawcett, J.; Russell, D. R.; Hider, R. C.; Hossain, M. B.; Stoner, C. R.; van der Helm, D.","Two Polymorphic Forms of 3-Hydroxy-2-methyl-4H-pyran-4-one (Maltol)","Acta Crystallographica Section C","1996","52","11","2917","2920","10.1107/S0108270196007081","","","","","","","","","","","","","","","","","","","","","has coordinates","175355","2020-10-21","18:00:00",""
"2005588","7.166","0.002","35.909","0.01","6.982","0.002","90","","109.79","0.03","90","","1690.5","0.9","163","2","163","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Maltol","","","- C6 H6 O3 -","- C6 H6 O3 -","- C72 H72 O36 -","12","3","BM1083","Burgess, J.; Fawcett, J.; Russell, D. R.; Hider, R. C.; Hossain, M. B.; Stoner, C. R.; van der Helm, D.","Two Polymorphic Forms of 3-Hydroxy-2-methyl-4<i>H</i>-pyran-4-one (Maltol)","Acta Crystallographica Section C","1996","52","11","2917","2920","10.1107/S0108270196007081","","","1.54178","CuKα","","0.0581","0.0434","","0.1274","0.1151","","","","1.071","1.078","1.078","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005589","23.826","0.007","10.098","0.004","9.881","0.004","90","","90","","90","","2377.3","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2(R)-ethoxy-4(R)-(1,2;3,4-di-O-isopropylidene-a-D-galacto-1,5-pyranose-5-yl) -6-(thiazol-2-yl)-3,4-dihydro-2H-pyrane.","","- C21 H31 N O8 S -","- C21 H31 N O8 S -","- C84 H124 N4 O32 S4 -","4","1","BM1086","Ianelli, S.; Nardelli, M.","Directly Linked <i>C</i>-Disaccharides: Structures of Two 3,4-Dihydro-2<i>H</i>-pyran Derivatives","Acta Crystallographica Section C","1996","52","11","2853","2857","10.1107/S010827019600827X","","","1.54178","CuKα","","0.0693","0.0313","","0.0603","0.0497","","","","0.749","0.904","0.904","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005590","17.339","0.004","16.43","0.005","7.222","0.003","90","","90","","90","","2057.4","1.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2(R)-ethoxy-4(S)-(1,2;3,4-di-O-isopropylidene-a-D-galacto-1,5-pyranose-5-yl) -6-formyl-3,4-dihydro-2H-pyrane.","","- C19 H28 O8 -","- C19 H28 O8 -","- C76 H112 O32 -","4","1","BM1086","Ianelli, S.; Nardelli, M.","Directly Linked <i>C</i>-Disaccharides: Structures of Two 3,4-Dihydro-2<i>H</i>-pyran Derivatives","Acta Crystallographica Section C","1996","52","11","2853","2857","10.1107/S010827019600827X","","","1.54178","CuKα","","0.092","0.0284","","0.0508","0.0409","","","","0.638","0.797","0.797","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005591","13.495","0.001","9.666","0.01","19.718","0.001","90","","109.108","0.005","90","","2430","3","130","","130","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H29 N O3 Sn -","- C25 H29 N O3 Sn -","- C100 H116 N4 O12 Sn4 -","4","1","BM1087","Meetsma, A.; Dijkstra, H. P.; ten Have, R.; van Leusen, A. M.","An Unexpected Trimethylstannylpyrrole from a Stannylated Derivative of Tosylmethyl Isocyanide (TosMIC) and Chalcone","Acta Crystallographica Section C","1996","52","11","2747","2750","10.1107/S0108270196009286","","","0.71073","MoKα","","0.0338","0.0249","","0.0689","0.0586","","","","1.071","1.083","1.083","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005592","5.428","0.002","9.747","0.003","16.115","0.002","90","","94.336","0.004","90","","850.2","0.4","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 Ag2 N4 O12 -","- C14 H6 Ag2 N4 O12 -","- C28 H12 Ag4 N8 O24 -","2","0.5","BM1093","Ülkü, D.; Tahir, M. N.; Movsumov, E. M.","Poly[bis(3,5-dinitrobenzoato-<i>O</i>^1^:<i>O</i>^2^)disilver(I)-<i>O</i>^2^:<i>Ag</i>;<i>Ag</i>':<i>O</i>^2'^]","Acta Crystallographica Section C","1996","52","11","2678","2680","10.1107/S0108270196009298","","","0.71073","MoKα","","","0.049","","","0.04","","","","","1","1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005593","3.7491","0.0003","3.7491","0.0003","10.4122","0.0004","90","","90","","90","","146.351","0.017","292","","292","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C B2 Gd Rh2 -","- C B2 Gd Rh1.868 -","- C2 B4 Gd2 Rh3.736 -","2","0.0625","BR1145","Ye, J.; Shishido, T.; Kimura, T.; Matsumoto, T.; Fukuda, T.","A New Quaternary Borocarbide, GdRh~2~B~2~C","Acta Crystallographica Section C","1996","52","11","2652","2655","10.1107/S010827019600724X","","","0.7107","MoKα","","","0.025","","","0.023","","","","","1.45","1.45","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005594","10.259","0.006","6.94","0.004","12.175","0.007","90","","106.764","0.007","90","","830","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dipotassium diberyllium trisilicate","","","- Be2 K2 O9 Si3 -","- Be2 K2 O9 Si3 -","- Be8 K8 O36 Si12 -","4","1","BR1147","Bu, X.; Gier, T. E.; Stucky, G. D.","K~2~Be~2~Si~3~O~9~, a Potassium Beryllium Silicate Framework Built from Edge-Sharing Be‒O Tetrahedra and Three-Ring Silicate Tetrahedra","Acta Crystallographica Section C","1996","52","11","2662","2664","10.1107/S0108270196007378","","","0.7093","MolybdenumKα","","0.0361","0.0329","","0.099","0.0973","","","","1.206","1.239","1.239","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005595","9.2943","0.0011","11.6858","0.001","31.698","0.002","90","","90","","90","","3442.8","0.5","296","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2-Hydroxy-5-methylphenyl)salicylaldiminodiethylaminonickel(II)","","- C18 H22 N2 Ni O2 -","- C18 H22 N2 Ni O2 -","- C144 H176 N16 Ni8 O16 -","8","1","CF1069","Ercan, F.; Sari, M.; Yaǧbasan, R.; Taştekin, M.; Aksu, L.","(Diethylamine-<i>N</i>){4-methyl-2-[(2-oxidobenzylidene)amino]phenolato(2‒)-<i>O</i>,<i>N</i>,<i>O</i>'}nickel(II)","Acta Crystallographica Section C","1996","52","11","2682","2684","10.1107/S010827019600964X","","","0.71073","MoKα","","","0.065","","","0.085","","","","","1.41","1.41","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005596","15.265","0.003","11.115","0.002","10.178","0.002","90","","109.7","0.01","90","","1625.8","0.5","295","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Pt(2,9-dimethyl-1,10-phenantroline)(CN)~2~(ethylene)","","- C18 H16 N4 Pt -","- C18 H16 N4 Pt -","- C72 H64 N16 Pt4 -","4","0.5","CF1071","Tuzi, A.; Panunzi, B.","Dicyano(2,9-dimethyl-1,10-phenanthroline-<i>N</i>,<i>N</i>')(η^2^-ethene)platinum(II)","Acta Crystallographica Section C","1996","52","11","2745","2747","10.1107/S0108270196009651","","","0.71073","MoKα","","0.026","0.019","","","0.028","","","","","1.093","1.093","","","","","has coordinates","198476","2020-10-21","18:00:00",""
"2005597","20.977","0.004","8.943","0.002","25.504","0.005","90","","90","","90","","4784.5","1.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[2-thione-3(N)-[9'(2''-methoxy-6''-chloro)acridinyl]-5-[2'-(di ethylamino)ethylthio]]-1,3,4-thiadiazole","","- C22 H23 Cl N4 O S3 -","- C22 H23 Cl N4 O S3 -","- C176 H184 Cl8 N32 O8 S24 -","8","1","CF1083","Karolak-Wojciechowska, J.; Mrozek, A.; Amiel, P.; Brouant, P.; Barbe, J.","A Potential Antiprotozoal Drug Containing Acridine and Thiadiazole Moieties","Acta Crystallographica Section C","1996","52","11","2939","2941","10.1107/S0108270196007135","","","1.54178","CuKα","","0.0978","0.064","","0.209","0.1745","","","","1.043","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005598","4.634","0.001","13.069","0.004","15.832","0.005","90","","90","","90","","958.8","0.5","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 N3 O S2 -","- C6 H9 N3 O S2 -","- C24 H36 N12 O4 S8 -","4","1","CF1085","Pomes Hernandez, R.; Gómez González, A.; Rosado Pérez, A.; Nápoles Frías, B. M.; Toscano, R. A.; Quincoces Suárez, J.","<i>N</i>'-[Bis(methylthio)methylene]cyanoacetohydrazide","Acta Crystallographica Section C","1996","52","11","2941","2942","10.1107/S0108270196007147","","","1.54184","CuKα","","","0.039","","","0.05","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005599","7.611","0.003","20.972","0.01","10.312","0.004","90","","99.93","","90","","1621.3","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(p-diethylaminophenyl)-1,3-indandione","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","1","CF1092","Khodorkovsky, V.; Mazor, R. A.; Ellern, A.","2-(<i>p</i>-Diethylaminobenzylidene)-1,3-indandione","Acta Crystallographica Section C","1996","52","11","2878","2880","10.1107/S0108270196007457","","","0.71073","MoKα","","0.1241","0.074","","0.2751","0.1898","","","","1.033","1.103","1.103","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2005600","7.032","0.001","10.667","0.002","11.879","0.002","102.4","0.03","102.92","0.03","95.16","0.03","839.3","0.3","293","","293","","","","","","","","","4","P -1","-P 1","2","","4-(N-benzoxy)imino-3,3-dihydro-2,2-dimethyl-6-nitro-2H-1-benzopyran","","- C18 H16 N2 O5 -","- C18 H16 N2 O5 -","- C36 H32 N4 O10 -","2","1","CF1093","Yang, Q.-C.; Li, H.-M.; Tang, Y.-Q.; Huang, W.-L.","2,2-Dimethyl-6-nitro-3,4-dihydro-2<i>H</i>-benzo[<i>b</i>]pyran-4-one <i>O</i>-Benzoyloxime","Acta Crystallographica Section C","1996","52","11","2920","2922","10.1107/S0108270196008475","","","0.71073","MolybdenumKα","","0.1234","0.0486","","","0.0556","","","","","1.6","1.6","","","","","has coordinates","190398","2020-10-21","18:00:00",""
"2005601","10.362","0.002","14.463","0.002","15.209","0.002","90","","90","","90","","2279.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H34 Cl2 N2 O8 -","- C18 H34 Cl2 N2 O8 -","- C72 H136 Cl8 N8 O32 -","4","1","CF1098","Wolska, I.; Borowiak, T.; Boczoń, Wł.","17β-Isopropylsparteine and 17β-Isopropyllupanine Perchlorates","Acta Crystallographica Section C","1996","52","11","2822","2826","10.1107/S0108270196008499","","","0.71073","MoKα","","0.1315","0.0653","","0.1837","0.1534","","","","1.069","1.215","1.215","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005602","8.262","0.002","13.774","0.004","8.915","0.002","90","","92.49","0.02","90","","1013.6","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H33 Cl N2 O6 -","- C18 H33 Cl N2 O6 -","- C36 H66 Cl2 N4 O12 -","2","1","CF1098","Wolska, I.; Borowiak, T.; Boczoń, Wł.","17β-Isopropylsparteine and 17β-Isopropyllupanine Perchlorates","Acta Crystallographica Section C","1996","52","11","2822","2826","10.1107/S0108270196008499","","","0.71073","MoKα","","0.0871","0.0357","","0.1371","0.0998","","","","1.125","1.02","1.02","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005603","6.728","0.002","7.94","0.007","25.085","0.009","90","","90","","90","","1340","1.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[1-[(4,5-dimethyl-2-aminophenyl)imino]ethyl]phenol","","- C16 H18 N2 O -","- C16 H18 N2 O -","- C64 H72 N8 O4 -","4","1","CF1102","Corden, J. P.; Bishop, P. R.; Errington, W.; Wallbridge, M. G. H.","2-{1-[(2-Amino-4,5-dimethylphenyl)imino]ethyl}phenol","Acta Crystallographica Section C","1996","52","11","2777","2779","10.1107/S0108270196007159","","","0.71073","MoKα","","0.051","0.0382","","0.1122","0.0831","","","","1.058","1.127","1.127","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005604","13.63","0.005","10.897","0.004","14.546","0.004","90","","90.08","0.03","90","","2160.5","1.3","220","2","220","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","8,3'-methylene[7-acetoxy-4-methyl-2H-1-benzopyran-2-one] [4''-methyl-2''H- 1''-pyran-2''-one(5',6':6'',5'')-2'H-1'-benzopyran-2'-one]","","- C26 H18 O8 -","- C26 H18 O8 -","- C104 H72 O32 -","4","1","CF1115","Jain, S. C.; Talwar, S.; Kumar, R.; Babu, B. R.; Errington, W.","The Acetyl Derivative of a Novel Fries Rearrangement Product","Acta Crystallographica Section C","1996","52","11","2775","2777","10.1107/S0108270196008487","","","0.71073","MoKα","","0.0952","0.0475","","0.1172","0.0954","","","","1.021","1.101","1.101","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005605","10.432","0.002","15.737","0.003","15.406","0.003","90","","96.57","0.02","90","","2512.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H38 B9 P S -","- C18 H38 B9 P S -","- C72 H152 B36 P4 S4 -","4","1","CF1127","Rosair, G. M.; Welch, A. J.; Weller, A. S.","9-Dicyclohexylphenylphosphino-<i>arachno</i>-6-thiadecaborane(11)","Acta Crystallographica Section C","1996","52","11","2851","2853","10.1107/S0108270196008244","","","0.71073","MoKα","","0.1839","0.0694","","0.188","0.1316","","","","0.995","1.105","1.105","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005606","10.933","0.002","6.4597","0.0014","5.6849","0.0009","90","","90","","90","","401.49","0.13","150","0.2","150","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","1-Methyl-1,3,4-triazole","","- C3 H5 N3 -","- C3 H5 N3 -","- C12 H20 N12 -","4","0.5","CF1129","Palmer, M. H.; Parsons, S.","4-Methyl-1,2,4-triazole and 1-Methyltetrazole","Acta Crystallographica Section C","1996","52","11","2818","2822","10.1107/S0108270196008232","","","1.54184","CuKα","","0.0358","0.0352","","0.0904","0.0896","","","","1.124","1.138","1.138","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005607","5.578","0.002","6.324","0.002","10.799","0.006","90","","90","","90","","380.9","0.3","150","0.2","150","0.2","","","","","","","","3","P n m a","-P 2ac 2n","62","","1-Methyltetrazole","","- C2 H4 N4 -","- C2 H4 N4 -","- C8 H16 N16 -","4","0.5","CF1129","Palmer, M. H.; Parsons, S.","4-Methyl-1,2,4-triazole and 1-Methyltetrazole","Acta Crystallographica Section C","1996","52","11","2818","2822","10.1107/S0108270196008232","","","1.54184","CuKα","","0.036","0.0353","","0.0825","0.0817","","","","1.138","1.152","1.152","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005608","10.752","0.001","8.711","0.002","16.646","0.001","90","","94.4","0.1","90","","1554.5","0.4","293","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O7 -","- C18 H16 O7 -","- C72 H64 O28 -","4","1","DE1027","Lakshmi, S.; Kumar, S.; Senthilselvan, J.; Subramanian, K.","Dalspinosin","Acta Crystallographica Section C","1996","52","11","2873","2875","10.1107/S0108270196007652","","","0.71073","MoKα","","","0.0399","","","0.0998","","","","","1.048","1.048","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005609","5.184","0.001","15.569","0.002","10.053","0.0015","90","","93.64","0.02","90","","809.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-hydroxy-2,1λ^5^-benzoxarsol-3-one monohydrate","","- C7 H7 As O4 -","- C7 H7 As O4 -","- C28 H28 As4 O16 -","4","1","DE1033","Hundal, M. S.; Hundal, G.; Parmar, S. S.","1-Hydroxy-2,1λ^5^-benzoxarsol-3-one Monohydrate","Acta Crystallographica Section C","1996","52","11","2726","2728","10.1107/S0108270196007640","","","0.71073","MoKα","","0.0807","0.0442","","0.1037","0.0901","","","","1.001","1.077","1.077","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005610","9.8597","0.0008","11.522","0.002","9.333","0.001","92.19","0.01","115.18","0.008","75.94","0.01","928.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(o-phénylèneamineammonium) Bis(o-phénylènediammonium) cyclo-Hexaphosphate Dihydrate","","- C24 H42 N8 O20 P6 -","- C24 H42 N8 O20 P6 -","- C24 H42 N8 O20 P6 -","1","0.5","DU1132","Soumhi, E. H.; Jouini, T.","Bis(<i>o</i>-aminophénylammonium) Bis(<i>o</i>-phénylènediammonium) <i>cyclo</i>-Hexaphosphate Dihydrate","Acta Crystallographica Section C","1996","52","11","2802","2805","10.1107/S0108270196003770","","","0.71069","MoKα","","0.0356","0.0295","","0.0806","0.0771","","","","1.082","1.108","1.108","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005611","10.8997","0.0007","10.8997","0.0007","42.817","0.004","90","","90","","90","","5086.8","0.7","293","2","293","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","Beryllium tetrahydrogenorthoperiodate tetrahydrate","","- Be H16 I2 O16 -","- Be H16 I2 O16 -","- Be16 H256 I32 O256 -","16","0.5","DU1154","Zhang, Z.; Lutz, H. D.; Georgiev, M.; Maneva, M.","The First Beryllium Periodate: Be(H~4~IO~6~)~2~.4H~2~O","Acta Crystallographica Section C","1996","52","11","2660","2662","10.1107/S0108270196006762","","","0.7107","MoKα","","0.0331","0.0286","","0.087","0.0844","","","","1.344","1.379","1.379","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005612","8.6233","0.0006","8.6233","0.0006","5.6384","0.0007","90","","90","","90","","419.28","0.08","294","","","","","","","","","","","5","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 P V2 -","- N2 O8 P2 V3 -","- N4 O16 P4 V6 -","2","0.25","","","(NH~4~)~2~(VO)(VP)O~7~ , a Layered Structure Comprising Tetrahedral VPO~7~ Groups","Acta Crystallographica C","1996","52","","2668","2670","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005613","6.328","0.001","13.208","0.002","20.069","0.005","90","","90","","90","","1677.4","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3β,4α-dihydroxy-5β-androstan-17-one","","- C19 H30 O3 -","- C19 H30 O3 -","- C76 H120 O12 -","4","1","FG1119","Ramos Silva, M.; Paixão, J. A.; de Almeida, M.-J. M.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.","3β,4α-Dihydroxy-5β-androstan-17-one","Acta Crystallographica Section C","1996","52","11","2892","2894","10.1107/S0108270196008839","","","0.71073","MoKα","","0.1287","0.0424","","0.1204","0.0883","","","","1.004","1.065","1.065","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005614","24.856","0.005","22.041","0.005","7.921","0.003","90","","90","","90","","4340","2","293","","293","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","cis-4,5-Dihydroxy-2,3,4,5-tetraphenylcyclopent-2-en-1-one","","- C29 H22 O3 -","- C29 H22 O3 -","- C232 H176 O24 -","8","1","FG1122","Jedrzejas, M. J.; Rubin, M. D.; Baker, R. J.; Masnovi, J.; Towns, R. L. R.","<i>cis</i>-4,5-Dihydroxy-2,3,4,5-tetraphenylcyclopent-2-enone","Acta Crystallographica Section C","1996","52","11","2936","2939","10.1107/S0108270196006944","","","0.7093","MoKα","","0.081","0.081","","0.058","0.058","","","","0.99","0.99","0.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005615","13.102","0.002","7.077","0.002","16.233","0.002","90","","109.31","0.02","90","","1420.5","0.5","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 F N2 O2 -","- C17 H13 F N2 O2 -","- C68 H52 F4 N8 O8 -","4","1","FG1146","De Simone, C. A.; Pereira, M. A.; Luu-Duc, C.; Pitta, I. R.; Galdino, S. L.; Menezes, E. H. C.; Zukerman-Schpector, J.","3-Benzyl-5-(2-fluorobenzylidene)imidazolidine-2,4-dione","Acta Crystallographica Section C","1996","52","11","2771","2772","10.1107/S0108270196007317","","","0.71073","MoKα","","0.0845","0.0562","","0.1689","0.1387","","","","1.114","1.11","1.11","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2005616","14.505","0.002","10.792","0.001","18.496","0.002","90","","98.81","0.01","90","","2861.2","0.6","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,3,5-tris-{2-[(N,N-dimethylhydrazono)methyl]phenyl)}boroxin","","- C27 H33 B3 N6 O3 -","- C27 H33 B3 N6 O3 -","- C108 H132 B12 N24 O12 -","4","1","FG1192","Robinson, P. D.; Groziak, M. P.; Yi, L.","A Triphenylboroxin Derivative Possessing Two Intramolecular Chelates","Acta Crystallographica Section C","1996","52","11","2826","2830","10.1107/S010827019600697X","","","0.71069","MoKα","","","0.043","","","0.049","","","","","1.49","1.49","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005617","12.303","0.002","18.668","0.004","13.09","0.002","90","","112.81","0.02","90","","2771.3","0.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 3α-methacryloylamino-7α,12α-dihydroxy-5β-cholanoate","","- C29 H47 N O5 -","- C29 H47 N O5 -","- C116 H188 N4 O20 -","4","2","FG1198","Akram, M.; Denike, J. K.; Bélanger-Gariépy, F.; Zhu, X.-X.","Methyl 7α,12α-Dihydroxy-3α-methacryloylamino-5β-cholan-24-oate","Acta Crystallographica Section C","1996","52","11","2905","2907","10.1107/S0108270196007809","","","1.54056","CopperKα","","0.0471","0.0381","","0.0896","0.0853","","","","0.942","1.001","1.001","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005618","11.628","0.003","6.804","0.002","20.778","0.005","90","","96.12","0.03","90","","1634.5","0.8","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","α,α'-Bis(2-selenopyridine)-p-xylene","","- C18 H16 N2 Se2 -","- C18 H16 N2 Se2 -","- C72 H64 N8 Se8 -","4","1","FG1204","Kienitz, C. O.; Thöne, C.; Jones, P. G.","α,α'-Bis(2-pyridylseleno)-<i>p</i>-xylene","Acta Crystallographica Section C","1996","52","11","2847","2849","10.1107/S0108270196007536","","","0.71073","MoKα","","0.0451","0.0313","","0.085","0.0699","","","","1.067","1.056","1.056","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005619","7.9286","0.0016","9.7444","0.0014","20.756","0.003","90","","93.173","0.014","90","","1601.1","0.5","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(SS*,1S*,2R*)-1-(Hydroxymethyl)-2-(p-toluenesulfinyl)ferrocene","","- C18 H18 Fe O2 S -","- C18 H18 Fe O2 S -","- C72 H72 Fe4 O8 S4 -","4","1","FG1218","Robinson, P. D.; Hua, D. H.; Lagneau, N. M.; Chen, J.","(S<i>S</i>*,1<i>S</i>*,2<i>R</i>*)-1-(Hydroxymethyl)-2-(<i>p</i>-tolylsulfinyl)ferrocene","Acta Crystallographica Section C","1996","52","11","2757","2760","10.1107/S0108270196010165","","","0.71069","MoKα","","","0.058","","","0.047","","","","","1.19","1.19","","","","","has coordinates","191860","2020-10-21","18:00:00",""
"2005620","16.149","0.008","12.969","0.008","17.075","0.009","90","","110.59","0.04","90","","3348","3","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","S-(trans-3-methyloxiran-2-yl)-S-phenyl-N-(p-tolylsulfonyl)sulfoximide","","- C16 H17 N O4 S2 -","- C16 H17 N O4 S2 -","- C128 H136 N8 O32 S16 -","8","2","FG1221","Clegg, W.; Elsegood, M. R. J.; Jackson, R. F. W.; Bailey, P. L.; Briggs, A. D.","A Sulfoximidooxirane","Acta Crystallographica Section C","1996","52","11","2781","2783","10.1107/S0108270196010141","","","0.71073","MoKα","","0.0812","0.0395","","0.1242","0.0967","","","","1.074","1.054","1.054","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005621","5.9653","0.0007","13.45","0.002","18.63","0.002","90","","90","","90","","1494.7","0.3","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-p-toluenesulfonylaziridine-(2S)-carboxylic acid tert-butyl ester","","- C14 H19 N O4 S -","- C14 H19 N O4 S -","- C56 H76 N4 O16 S4 -","4","1","FG1222","Clegg, W.; Heath, S. L.; Horsburgh, L.; Jackson, R. F. W.; Wood, A.","A Sulfonyl-Substituted Aziridine","Acta Crystallographica Section C","1996","52","11","2779","2781","10.1107/S0108270196010153","","","0.71073","MoKα","","0.0272","0.026","","0.0685","0.0674","","","","1.062","1.062","1.062","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005622","11.987","0.002","9.7183","0.0015","10.2177","0.0012","90","","119.889","0.009","90","","1032","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,1'-diacetyl-2,2'-biimidazole","","- C10 H10 N4 O2 -","- C10 H10 N4 O2 -","- C40 H40 N16 O8 -","4","0.5","HA1165","Secondo, P. M.; Hester, C. A.; Collier, H. L.; Baughman, R. G.; Cordes, A. W.","1,1'-Diacetyl-2,2'-biimidazole","Acta Crystallographica Section C","1996","52","11","2882","2883","10.1107/S0108270196008001","","","0.71073","MoKα","","0.0477","0.0388","","0.1062","0.0998","","","","1.058","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005623","4.3326","0.0012","7.966","0.003","26.889","0.017","90","","90","","90","","928","0.7","293","2","293","2","","","","","","","","3","F 2 d d","F -2d 2","43","2-Butyne-1,4-diol","2-Butyne-1,4-diol","","- C4 H6 O2 -","- C4 H6 O2 -","- C32 H48 O16 -","8","0.5","HA1166","Steiner, Th.","2-Butyne-1,4-diol","Acta Crystallographica Section C","1996","52","11","2885","2887","10.1107/S0108270196008207","","","1.54176","CuKα","","0.0416","0.0321","","0.1019","0.0879","","","","1.074","1.076","1.076","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005624","7.795","0.004","15.347","0.002","19.245","0.002","90","","99.53","0.04","90","","2270.5","1.3","298","3","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H34 Cl2 Cu N4 O9 -","- C14 H34 Cl2 Cu N4 O9 -","- C56 H136 Cl8 Cu4 N16 O36 -","4","1","HR1024","Tahirov, T. H.; Lu, T.-H.; Liao, F.-L.; Wang, S.-L.; Chen, B.-H.; Chi, T.-Y.; Chung, C.-S.","Aqua(1,5,8,12-tetramethyl-1,4,8,11-tetraazacyclotetradecane-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')copper(II) Diperchlorate","Acta Crystallographica Section C","1996","52","11","2687","2689","10.1107/S0108270196007925","","","0.71073","MoKα","","","0.04","","","0.062","","","","","1.35","1.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005625","12.169","0.002","13.576","0.001","14.919","0.001","90","","90","","90","","2464.7","0.5","298","3","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 Co N7 S3 -","- C19 H32 Co N7 S3 -","- C76 H128 Co4 N28 S12 -","4","1","HR1025","Lu, T.-H.; Tahirov, T. H.; Chen, B.-H.; Lai, C.-Y.; Chung, C.-S.","<i>trans</i>-(5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')di(isothiocyanato-<i>N</i>)cobalt(III) Thiocyanate","Acta Crystallographica Section C","1996","52","11","2684","2687","10.1107/S0108270196008724","","","0.71073","MoKα","","","0.051","","","0.055","","","","","1.52","1.52","","","","","has coordinates,has disorder","200181","2020-10-21","18:00:00",""
"2005626","9.166","0.002","35.341","0.004","10.101","0.003","90","","110.65","0.01","90","","3061.8","1.2","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 Cl3 Co N6 -","- C33 H24 Cl3 Co N6 -","- C132 H96 Cl12 Co4 N24 -","4","1","JZ1109","Castro, J. A.; Romero, J.; García-Vázquez, J. A.; Sousa, A.; Castiñeiras, A.","Tris{2-[(4-chlorophenyl)iminomethyl]pyrrolato-<i>N</i>,<i>N</i>'}cobalt(III)","Acta Crystallographica Section C","1996","52","11","2734","2736","10.1107/S0108270196008785","","","0.71073","MoKα","","","0.052","","","0.059","","","","","2.92","2.92","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005627","9.264","0.005","12.768","0.006","10.177","0.005","90","","94.19","0.02","90","","1200.5","1","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 Fe O10 P4 -","- C4 Fe O10 P4 -","- C16 Fe4 O40 P16 -","4","1","JZ1123","Jansen, M.; Clade, J.","Tetracarbonyl(tetraphosphorus hexaoxide)iron","Acta Crystallographica Section C","1996","52","11","2650","2652","10.1107/S0108270196004398","","","0.71073","MoKα","","0.0422","0.0377","","0.1046","0.0922","","","","1.068","1.097","1.097","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005628","12.474","0.002","6.3201","0.0008","12.418","0.003","90","","94.93","0.03","90","","975.4","0.3","193","1","193","1","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","Bis(1,5-cyclooctadiene)di-μ-ethoxo-dirhodium(I)","","- C20 H34 O2 Rh2 -","- C20 H34 O2 Rh2 -","- C40 H68 O4 Rh4 -","2","0.5","JZ1129","Ramm, M.; Selent, D.","Bis[(1,2,5,6-η)-1,5-cyclooctadiene]-di-μ-ethoxo-dirhodium(I)","Acta Crystallographica Section C","1996","52","11","2703","2705","10.1107/S0108270196007998","","","0.71073","MoKα","","0.0357","0.0287","","0.078","0.0752","","","","1.071","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005629","9.558","0.002","10.454","0.002","11.009","0.002","80.29","0.02","87.94","0.02","75.43","0.02","1049.4","0.4","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","(η^4^-1,3-butadiene)tricarbonyl-μ-hydrido(μ-η^1:5^-indene-1,1-diyl)- (η^5^indenyl)dimolybdenum","","- C25 H20 Mo2 O3 -","- C25 H20 Mo2 O3 -","- C50 H40 Mo4 O6 -","2","1","JZ1134","Kreiter, C. G.; Meuser, R.; Frank, W.; Müller-Becker, S.","Photochemical Reactions of Transition Metal Organyl Complexes with Olefins. 15. Tricarbonyl(η^4^-1,3-butadiene)-μ-hydrido-(μ-η^1:5^-indene-1,1-diyl)(η^5^-indenyl)-dimolybdenum(<i>Mo</i>—<i>Mo</i>)","Acta Crystallographica Section C","1996","52","11","2701","2703","10.1107/S0108270196008165","","","0.71069","MoKα","","0.0254","0.0221","","0.0501","0.0495","","","","1.875","1.927","1.927","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005630","13.061","0.001","18.9771","0.0015","9.3473","0.0009","90","","127.004","0.006","90","","1850.2","0.3","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","Chromium(III)-trimetaphosphate","","- Cr O9 P3 -","- Cr O9 P3 -","- Cr12 O108 P36 -","12","3","JZ1135","Gruss, M.; Glaum, R.","Refinement of the Superstructure of <i>C</i>-Type Chromium(III) Tris(metaphosphate), Cr(PO~3~)~3~","Acta Crystallographica Section C","1996","52","11","2647","2650","10.1107/S0108270196007056","","","0.71073","MoKα","","0.0306","0.0208","","0.0602","0.0572","","","","1.093","1.129","1.129","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005631","9.7355","0.0019","8.8451","0.0018","16.594","0.003","90","","99.91","0.03","90","","1407.6","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-bis(2,6-diisopropylphenyl)-2,2,4,4- tetramethyl-1,3,diaza-2,4-disilacyclobutane","","- C28 H46 N2 Si2 -","- C28 H46 N2 Si2 -","- C56 H92 N4 Si4 -","2","0.5","JZ1138","Shah, S. A. A.; Roesky, H. W.; Lubini, P.; Schmidt, H.-G.","1,3-Bis(2,6-diisopropylphenyl)-2,2,4,4-tetramethyl-1,3-diaza-2,4-disilacyclobutane","Acta Crystallographica Section C","1996","52","11","2810","2811","10.1107/S0108270196006865","","","0.71073","MoKα","","0.0367","0.0329","","0.0897","0.0862","","","","1.037","1.049","1.049","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005632","6.5712","0.0006","12.9917","0.0006","6.9237","0.0003","90","","102.133","0.006","90","","577.88","0.07","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","Triammonium trimetaphosphimate monohydrate","Triammonium-tri-μ-imido-cyclotriphosphate monohydrate","","- H17 N6 O7 P3 -","- H17 N6 O7 P3 -","- H34 N12 O14 P6 -","2","1","JZ1139","Stock, N.; Schnick, W.","Triammonium Trimetaphosphimate Monohydrate","Acta Crystallographica Section C","1996","52","11","2645","2647","10.1107/S0108270196006907","","","0.71073","MoKα","","0.0173","0.0167","","0.0447","0.0443","","","","1.129","1.13","1.13","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005633","9.425","0.001","10.904","0.003","20.034","0.007","90","","90","","90","","2058.9","0.9","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,5R,6R,8R,10R,12R)-5,8,15,15-Tetramethyl-6-phenyl-7,9-dioxa-3-thia- 4-azatetracyclo[10.2.1.0^1,10^.0^4,8^]pentadecane 3,3-Dioxide","","- C21 H29 N O4 S -","- C21 H29 N O4 S -","- C84 H116 N4 O16 S4 -","4","1","JZ1144","Bolte, M.; Strahringer, C.","(1<i>S</i>,5<i>R</i>,6<i>R</i>,8<i>R</i>,10<i>R</i>,12<i>R</i>)-5,8,15,15-Tetramethyl-6-phenyl-7,9-dioxa-3-thia-4-azatetracyclo[10.2.1.0^1,10^.0^4,8^]pentadecane 3,3-Dioxide","Acta Crystallographica Section C","1996","52","11","2805","2806","10.1107/S0108270196008840","","","1.5418","CuKα","","0.0312","0.0307","","0.0918","0.0909","","","","0.991","0.99","0.99","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005634","10.79","0.001","10.79","0.001","30.688","0.003","90","0.009","90","0.009","90","0.009","3572.8","0.6","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Boc-Phe-Aminomalonaldehyde","6-benzyl-2,2-dimethyl-5,8-diaza-4,7-dioxo-9-formyl-10-hydroxy- 3-oxa-(9,10)-decen","","- C17 H22 N2 O5 -","- C17 H22 N2 O5 -","- C136 H176 N16 O40 -","8","1","KA1191","Sopková, J.; Císarová, I.; Arnold, Z.","Boc‒Phe‒Aminomalonaldehyde","Acta Crystallographica Section C","1996","52","11","2903","2905","10.1107/S0108270196008025","","","0.71073","MoKα","","0.0516","0.0347","","0.0987","0.0851","","","","1.033","1.017","1.017","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005635","5.8303","0.0007","8.039","0.001","16.026","0.002","84.55","0.01","82.82","0.01","81.91","0.01","735.54","0.16","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 N O S -","- C16 H17 N O S -","- C32 H34 N2 O2 S2 -","2","1","KA1196","Hartung, J.; Svoboda, I.; Fuess, H.","Balancing Conjugational Stabilization and Torsional Strain. The Solid-State Structure of a 2-Thioalkyl-Substituted Pyridine <i>N</i>-Oxide","Acta Crystallographica Section C","1996","52","11","2841","2844","10.1107/S0108270196007019","","","0.71069","MoKα","","0.0663","0.0426","","0.1257","0.1125","","","","1.038","1.079","1.079","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005636","12.801","0.004","18.168","0.004","7.866","0.004","90","","90","","90","","1829.4","1.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-androsten-17beta-yl acetate-3-one","","- C21 H30 O3 -","- C21 H30 O3 -","- C84 H120 O12 -","4","1","KA1197","Böcskei, Z.; Gérczei, T.; Bodor, A.; Schwartz, R.; Náray-Szabó, G.","Three Testosterone Derivatives","Acta Crystallographica Section C","1996","52","11","2899","2903","10.1107/S0108270196006440","","","1.54178","CuKα","","0.1942","0.0492","","0.1746","0.114","","","","1.079","1.302","1.302","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005637","10.207","0.005","40.174","0.007","6.074","0.013","90","","90","","90","","2491","5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","anti-4-androsten-17beta-yl acetate-3-Obenzyloxime","","- C28 H37 N O3 -","- C28 H37 N O3 -","- C112 H148 N4 O12 -","4","1","KA1197","Böcskei, Z.; Gérczei, T.; Bodor, A.; Schwartz, R.; Náray-Szabó, G.","Three Testosterone Derivatives","Acta Crystallographica Section C","1996","52","11","2899","2903","10.1107/S0108270196006440","","","1.54178","CuKα","","0.1965","0.052","","0.2097","0.1219","","","","1.075","1.238","1.238","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005638","13.507","0.003","6.117","0.005","15.25","0.003","90","","92.582","0.015","90","","1258.7","1.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","syn-4-androsten-17beta-yl acetate-3-O-benzyloxyme","","- C28 H37 N O3 -","- C28 H37 N O3 -","- C56 H74 N2 O6 -","2","1","KA1197","Böcskei, Z.; Gérczei, T.; Bodor, A.; Schwartz, R.; Náray-Szabó, G.","Three Testosterone Derivatives","Acta Crystallographica Section C","1996","52","11","2899","2903","10.1107/S0108270196006440","","","1.54178","CuKα","","0.1226","0.0476","","0.1629","0.1157","","","","1.072","1.132","1.132","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005639","11.077","0.002","9.631","0.002","20.945","0.004","90","","93.53","0.03","90","","2230.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-methyl-4(5)-(p-methoxyphenylazo)imidazole","","- C11 H12 N4 O -","- C11 H12 N4 O -","- C88 H96 N32 O8 -","8","2","KA1202","Anulewicz, R.; Maciejewska, D.","4(5)-(<i>p</i>-Methoxyphenylazo)-2-methylimidazole","Acta Crystallographica Section C","1996","52","11","2943","2945","10.1107/S0108270196007007","","","1.54178","CuKα","","0.117","0.0931","","0.269","0.2349","","","","1.023","1.117","1.117","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005640","14.14","0.005","8.028","0.002","25.133","0.004","90","","90","","90","","2853","1.3","291","","291","","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Nitro-α-methoxy-trans-chalcone","3-(4-Nitro-phenyl)-2-methoxy-1-phenyl-prop-2-en-1-one","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C128 H104 N8 O32 -","8","1","KA1206","Bolte, M.; Schütz, G.; Bader, H. J.","Two Nitro-α-methoxy-<i>trans</i>-chalcones","Acta Crystallographica Section C","1996","52","11","2807","2809","10.1107/S0108270196007913","","","1.5418","CuKα","","0.0758","0.0575","","0.176","0.1601","","","","1.063","1.162","1.162","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005641","8.384","0.001","8.783","0.001","9.492","0.001","95.01","0.01","97.17","0.01","101.5","0.01","675.03","0.14","293","","293","","","","","","","","","4","P -1","-P 1","2","3-Nitro-α-methoxy-trans-chalcone","3-(3-Nitro-phenyl)-2-methoxy-1-phenyl-prop-2-en-1-one","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C32 H26 N2 O8 -","2","1","KA1206","Bolte, M.; Schütz, G.; Bader, H. J.","Two Nitro-α-methoxy-<i>trans</i>-chalcones","Acta Crystallographica Section C","1996","52","11","2807","2809","10.1107/S0108270196007913","","","1.5418","CuKα","","0.0438","0.0429","","0.1132","0.1122","","","","1.129","1.141","1.141","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005642","4.77","0.001","11.725","0.002","8.9911","0.0008","90","","99.64","0.01","90","","495.76","0.14","296","","","","","","","","","","","5","P 1 21 1","","","","","","- C10 H7 F4 N O -","- C10 H7 F4 N O -","- C20 H14 F8 N2 O2 -","2","1","KH1097","Kato, K.; Morikawa, H.; Kimoto, H.; Momota, K.","5,5,8,8-Tetrafluoro-6-methoxy-5,8-dihydroquinoline","Acta Crystallographica Section C","1996","52","11","2836","2837","10.1107/S0108270196007676","","","0.71069","MoKα","","","0.037","","","0.036","","","","","1.41","1.41","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005643","10.914","0.002","13.287","0.002","7.317","0.002","93.43","0.02","94.44","0.02","110.89","0.009","984","0.4","298","","","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 Cl Mn N2 O2 -","- C22 H22 Cl Mn N2 O2 -","- C44 H44 Cl2 Mn2 N4 O4 -","2","1","KH1098","Feng, Y.-L.; Liu, S.-X.","Chloro[<i>N</i>,<i>N</i>'-ethylenebis(3-imino-1-phenyl-1-butanonato-<i>N</i>,<i>O</i>)]manganese(III), [MnCl(C~22~H~22~N~2~O~2~)]","Acta Crystallographica Section C","1996","52","11","2768","2770","10.1107/S0108270196006579","","","0.71069","MoKα","","","0.0446","","","0.0535","","","","","1.172","1.172","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005644","9.846","0.009","38.204","0.009","11.421","0.009","90","","113.18","0.07","90","","3949","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-^t^butyl-1-cyclohexyl-2-diisopropylamino-6-(4-methoxyphenyl)-2-[4-methoxy- 2,3,4-tris(methoxycarbonyl)-5-oxo-2-cyclopentenyliden]-1,2-dihydro-1,3,2- diazaphosphinine.","","- C38 H54 N3 O9 P -","- C38 H54 N3 O9 P -","- C152 H216 N12 O36 P4 -","4","1","KH1100","García-Granda, S.; Santiago-García, R.; Bieger, K.","C~38~H~54~N~3~O~9~P, a New Compound in Diazadihydrophosphinine Chemistry","Acta Crystallographica Section C","1996","52","11","2857","2859","10.1107/S0108270196007755","","","0.71073","MoKα","","0.3048","0.058","","0.2329","0.1269","","","","0.992","1.148","1.148","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2005645","8.754","0.002","8.857","0.002","16.748","0.003","90","","92","0.03","90","","1297.8","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Tetra-n-butylammonium Chloride-Thiourea (1/2)","","","- C18 H44 Cl N5 S2 -","- C18 H44 Cl N5 S2 -","- C36 H88 Cl2 N10 S4 -","2","1","KH1101","Li, Q.; Mak, T. C. W.","Tetra-<i>n</i>-butylammonium Chloride‒Thiourea (1/2), a Layer-Type Inclusion Compound","Acta Crystallographica Section C","1996","52","11","2830","2832","10.1107/S0108270196008268","","","0.71073","MoKα","","0.0619","0.0501","","0.1476","0.1371","","","","1.061","1.098","1.098","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005646","7.214","0.001","16.437","0.001","16.18","0.002","90","","97.378","0.005","90","","1902.7","0.4","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","7-methyladeninium trichloro-7-methyladeninezinc(II) hydrate","","- C12 H17 Cl3 N10 O Zn -","- C12 H17 Cl3 N10 O Zn -","- C48 H68 Cl12 N40 O4 Zn4 -","4","1","KH1103","Price, C. L.; Taylor, M. R.","7-Methyl-3-adeninium Trichloro(7-methyladenine-<i>N</i>^9^)zinc(II) Hydrate","Acta Crystallographica Section C","1996","52","11","2736","2738","10.1107/S0108270196009079","","","1.5418","CuKα","","0.035","0.032","","0.07","0.07","","","","2.903","2.959","2.959","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2005647","6.8995","0.0004","11.3444","0.0006","11.537","0.001","114.436","0.007","92.049","0.006","104.428","0.005","786.26","0.11","571","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H17 B10 N O -","- C10 H17 B10 N O -","- C20 H34 B20 N2 O2 -","2","1","KH1105","White, J. M.; Bateman, S. A.; Kelly, D. P.; Martin, R. F.","3-[1,2-Dicarba-<i>closo</i>-dodecacarboranyl(methyleneoxy)]benzonitrile","Acta Crystallographica Section C","1996","52","11","2785","2787","10.1107/S0108270196008062","","","1.5418","CuKα(Nifiltered","","0.0492","0.0446","","0.165","0.1408","","","","0.809","0.816","0.816","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005648","16.434","0.002","6.99","0.003","16.204","0.002","90","","117.83","0.01","90","","1646.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 Co3 N4 O24 -","- C22 H40 Co3 N4 O24 -","- C44 H80 Co6 N8 O48 -","2","0.5","KH1107","Chen, X.-M.; Chen, H.-A.; Wu, B.-M.; Mak, T. C. W.","Hexaaquacobalt(II) Bis[(2-Hydroxy-1,3-propanediamine-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetraacetato)cobalt(III)]","Acta Crystallographica Section C","1996","52","11","2693","2695","10.1107/S0108270196007937","","","0.71073","MoKα","","0.0553","0.0452","","0.1309","0.1225","","","","1.052","1.075","1.075","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005649","10.113","0.002","16.951","0.003","18.015","0.004","90","","98.49","0.03","90","","3054.4","1.1","294","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[1,2-Bis(diphenylphosphino)propane](1,3-propanedithiolate)palladium(II), [Pd{Ph~2~P(CH~2~)~3~PPh~2~}(SC~3~H~6~S)].CH~3~CN","","- C32 H35 N P2 Pd S2 -","- C32 H35 N P2 Pd S2 -","- C128 H140 N4 P8 Pd4 S8 -","4","1","KH1111","Su, W.; Hong, M.; Zhou, Z.; Xue, F.; Liu, H.; Mak, T. C. W.","[1,3-Bis(diphenylphosphino)propane-<i>P</i>,<i>P</i>'](1,3-propanedithiolato-<i>S</i>,<i>S</i>')palladium(II) Acetonitrile Solvate, [Pd{Ph~2~P(CH~2~)~3~PPh~2~}(SC~3~H~6~S)].CH~3~CN","Acta Crystallographica Section C","1996","52","11","2691","2693","10.1107/S0108270196008670","","","0.71073","MoKα","","","0.035","","","0.048","","","","","1.12","1.12","","","","","has coordinates","198524","2020-10-21","18:00:00",""
"2005650","12.578","0.002","12.848","0.002","11.505","0.002","90","","90","","90","","1859.2","0.5","291","","291","","","","","","","","","5","P b c n","-P 2n 2ab","60","","[N,N'-bis(2-thiobenzenylidene)1,2-dimethyl-4,5-phenylenediaminato]nickel(II)","","- C22 H18 N2 Ni S2 -","- C22 H18 N2 Ni S2 -","- C88 H72 N8 Ni4 S8 -","4","0.5","KH1114","Henderson, R. K.; Bouwman, E.; Reedijk, J.; Powell, A. K.","[<i>N</i>,<i>N</i>'-Bis(2-thiobenzylidene)-1,2-dimethyl-4,5-phenylenediaminato]nickel(II), Ni(tsaldimph)","Acta Crystallographica Section C","1996","52","11","2696","2698","10.1107/S0108270196009778","","","0.71073","MoKα","","0.0584","0.0328","","0.0498","0.0454","","","","","1.08","1.08","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005651","9.944","0.001","13.171","0.001","15.92","0.002","90","","97.48","0.01","90","","2067.3","0.4","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Cl2 O S Te -","- C21 H18 Cl2 O S Te -","- C84 H72 Cl8 O4 S4 Te4 -","4","1","LI1148","Zukerman-Schpector, J.; Caracelli, I.; Dabdoub, M. J.; Dabdoub, V. B.; Pereira, M. A.","(<i>Z</i>)-1-(Dichloro-<i>p</i>-methoxyphenyltelluro)-1-phenyl-2-thiophenylethene","Acta Crystallographica Section C","1996","52","11","2772","2774","10.1107/S0108270196008256","","","0.71073","MoKα","","0.0414","0.0261","","0.0711","0.061","","","","1.126","1.082","1.082","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005652","8.962","0.002","8.962","0.002","15.439","0.003","90","","90","","90","","1240","0.5","293","2","293","2","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","Bis(tetraethylammonium)-tetrachloromercurate","","- C16 H40 Cl4 Hg N2 -","- C16 H40 Cl4 Hg N2 -","- C32 H80 Cl8 Hg2 N4 -","2","0.125","MD1004","Mahoui, A.; Lapasset, J.; Moret, J.; Saint Grégoire, P.","Bis(tetraethylammonium) Tetrachlorometallates, [(C~2~H~5~)~4~N]~2~[<i>M</i>Cl~4~], where <i>M</i> = Hg, Cd, Zn","Acta Crystallographica Section C","1996","52","11","2671","2674","10.1107/S010827019600666X","","","0.7107","MoKα","","0.1181","0.0299","","0.0862","0.0676","","","","0.886","1.033","1.033","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005653","9.034","0.002","9.034","0.002","15.297","0.003","90","","90","","90","","1248.4","0.5","293","2","293","2","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","Bis(tetraethylammonium)-tetrachlorocadamate","","- C16 H40 Cd Cl4 N2 -","- C16 H40 Cd Cl4 N2 -","- C32 H80 Cd2 Cl8 N4 -","2","0.125","MD1004","Mahoui, A.; Lapasset, J.; Moret, J.; Saint Grégoire, P.","Bis(tetraethylammonium) Tetrachlorometallates, [(C~2~H~5~)~4~N]~2~[<i>M</i>Cl~4~], where <i>M</i> = Hg, Cd, Zn","Acta Crystallographica Section C","1996","52","11","2671","2674","10.1107/S010827019600666X","","","0.71069","MoKα","","0.118","0.0389","","0.1028","0.0883","","","","0.755","1.034","1.034","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005654","9.0147","0.001","9.0147","0.001","14.964","0.002","90","","90","","90","","1216","0.3","293","2","293","2","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","Bis(tetraethylammonium)-tetrachlorozincate","","- C16 H40 Cl4 N2 Zn -","- C16 H42 Cl4 N2 Zn -","- C32 H84 Cl8 N4 Zn2 -","2","0.125","MD1004","Mahoui, A.; Lapasset, J.; Moret, J.; Saint Grégoire, P.","Bis(tetraethylammonium) Tetrachlorometallates, [(C~2~H~5~)~4~N]~2~[<i>M</i>Cl~4~], where <i>M</i> = Hg, Cd, Zn","Acta Crystallographica Section C","1996","52","11","2671","2674","10.1107/S010827019600666X","","","1.5418","CuKα","","0.0688","0.0599","","0.1924","0.1841","","","","1.12","1.195","1.195","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005655","18.308","0.002","7.262","0.001","22.805","0.003","90","","90","","90","","3032","0.7","293","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H17 Cu N3 O4 -","- C14 H17 Cu N3 O4 -","- C112 H136 Cu8 N24 O32 -","8","1","MU1236","Warda, S. A.; Friebel, C.; Sivý, J.; Plesch, G.; Svajlenová, O.","Aqua(3,5-dimethylpyrazole)(<i>N</i>-salicylideneglycinato)copper(II)","Acta Crystallographica Section C","1996","52","11","2763","2766","10.1107/S0108270196008578","","","0.71073","MoKα","","","0.0472","","","0.1161","","","","","1.076","1.076","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005656","35.8","0.004","15.564","0.001","11.387","0.001","90","","96.21","0.01","90","","6307.5","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[(quinolin-8-olato)(8-hydroxyquinoline)(triphenylphosphine)silver(I)] hydrogen acetate monohydrate","","- C74 H62 Ag2 N4 O7 P2 -","- C74 H62 Ag2 N4 O7 P2 -","- C296 H248 Ag8 N16 O28 P8 -","4","1","MU1240","Othman, A. H.; Goh, S.-C.; Fun, H.-K.; Sivakumar, K.","Hydrogen Bis[(8-quinolinol-<i>N</i>)(8-quinolinolato-<i>N</i>,<i>O</i>)(triphenylphosphine-<i>P</i>)silver(I)] Acetate Monohydrate","Acta Crystallographica Section C","1996","52","11","2760","2763","10.1107/S010827019600858X","","","0.71073","MoKα","","0.08","0.053","","0.2075","0.1478","","","","1.056","1.138","1.138","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005657","11.249","0.002","9.995","0.002","9.362","0.002","90","","111.25","0.03","90","","981","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-thioxo-1,3-thiazolidin-3-yl)4,5-dihydro-1,3-thiazole hydrochloride","","- C6 H9 Cl N2 S3 -","- C6 H9 Cl N2 S3 -","- C24 H36 Cl4 N8 S12 -","4","1","MU1250","Raper, E. S.; Kubiak, M.; Głowiak, T.","2-(2-Thioxo-1,3-thiazolidin-3-yl)-4,5-dihydro-1,3-thiazol-1-ium Chloride, C~6~H~9~N~2~S~3~^+^.Cl^{-^}","Acta Crystallographica Section C","1996","52","11","2908","2910","10.1107/S0108270196008591","","","0.71069","MoKα","","0.0424","0.0424","","0.1137","0.1137","","","","1.097","1.097","1.097","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005658","11.677","0.002","12.431","0.002","9.443","0.002","108.6","0.03","111.44","0.03","89.96","0.03","1198.7","0.5","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","2-(7,9-Diphenylcyclopenta[a]acenaphthylen-6b-yl)-2-phenylethanol","","- C35 H26 O -","- C35 H26 O -","- C70 H52 O2 -","2","1","MU1261","Repo, T.; Klinga, M.; Leskelä, M.; Polamo, M.; Rieger, B.","2-(7,9-Diphenylcyclopenta[<i>a</i>]acenaphthadien-6b-yl)-2-phenylethanol","Acta Crystallographica Section C","1996","52","11","2910","2912","10.1107/S0108270196007895","","","0.71073","MoKα","","0.075","0.0563","","0.1392","0.1279","","","","1.056","1.119","1.119","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005659","17.784","0.005","18.326","0.004","9.055","0.003","90","","104.74","0.03","90","","2854","1.4","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","N,N'-dimethyl-N-(p-tolylthio)-N'-[chloro(methyl)arsino]urea","","- C11 H16 As Cl N2 O S -","- C11 H16 As Cl N2 O S -","- C88 H128 As8 Cl8 N16 O8 S8 -","8","2","MU1265","Jones, P. G.; Fischer, A. K.; Müller, C.; Pinchuk, V. A.; Schmutzler, R.","<i>N</i>-Chloro(methyl)arsino-<i>N</i>,<i>N</i>'-dimethyl-<i>N</i>'-(<i>p</i>-tolylthio)urea","Acta Crystallographica Section C","1996","52","11","2750","2752","10.1107/S0108270196008359","","","0.71073","MoKα","","0.0485","0.0344","","0.0802","0.0728","","","","1.046","1.055","1.055","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005660","32.027","0.007","9.829","0.002","17.42","0.006","90","","96.89","0.03","90","","5444","3","293","","","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C48 H44 Cl4 Cu2 Mo N2 P2 S6 -","- C48 H44 Cl4 Cu2 Mo N2 P2 S6 -","- C192 H176 Cl16 Cu8 Mo4 N8 P8 S24 -","4","0.5","MU1271","Wang, Q.; Wu, X.; Huang, Q.; Sheng, T.","Bis(pyridine-2-thione)-2κ<i>S</i>;3κ<i>S</i>-tetra-μ-sulfido-1:2κ^4^<i>S</i>;1:3κ^4^<i>S</i>-bis(triphenylphosphine)-2κ<i>P</i>;3κ<i>P</i>-dicoppermolybdenum Bis(dichloromethane) Solvate","Acta Crystallographica Section C","1996","52","11","2738","2740","10.1107/S0108270196008608","","","0.71073","MoKα","","","0.045","","","0.051","","","","","1.35","1.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005661","7.9572","0.0007","8.2383","0.0004","8.5846","0.0006","110.416","0.005","92.067","0.006","92.165","0.006","526.3","0.07","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N6 Ni O4 -","- C20 H24 N6 Ni O4 -","- C20 H24 N6 Ni O4 -","1","0.5","MU1275","Ülkü, D.; Ercan, F.; Macit, M.; Gülce, A.","Bis[<i>N</i>-(2,6-dimethylphenyl)aminoglyoximato-<i>N</i>,<i>N</i>']nickel(II)","Acta Crystallographica Section C","1996","52","11","2680","2682","10.1107/S0108270196009407","","","0.71073","MoKα","","","0.029","","","0.033","","","","","1.25","1.25","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005662","12.245","0.0012","10.3134","0.0012","18.77","0.003","90","","106.53","0.012","90","","2272.5","0.5","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-{N,N,N',N'-tetrakis[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-1,2- ethylenediamine}-bis[aquanitratonickel(II)] dinitrate dimethanol solvate.","","- C32 H60 N14 Ni2 O16 -","- C32 H60 N14 Ni2 O16 -","- C64 H120 N28 Ni4 O32 -","2","0.5","MU1285","Veldman, N.; Spek, A. L.; Tabbì, G.; Driessen, W. L.; Reedijk, J.","A Dinuclear Nickel(II) Compound: μ-{<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-1,2-ethylenediamine}-bis[aqua(nitrato-<i>O</i>,<i>O</i>')nickel(II)] Dinitrate Dimethanol Solvate","Acta Crystallographica Section C","1996","52","11","2698","2701","10.1107/S010827019600981X","","","0.71073","MoKα","","0.0637","0.0637","","0.1647","0.1647","","","","1.096","1.02","1.02","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005663","11.216","0.001","14.366","0.002","12.837","0.003","90","","92.03","0.01","90","","2067.1","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Fe2 -","- C26 H28 Fe2 -","- C104 H112 Fe8 -","4","1","NA1233","Alvarez-Larena, A.; Briansó, J. L.; Piniella, J. F.; Farran, J.; Manríquez, J. M.; Chávez, I.; Oelckers, B.; Molins, E.; Miravitlles, C.","Triple-Decker [Cp*Fe(C~8~H~6~)Fe(C~8~H~7~)]","Acta Crystallographica Section C","1996","52","11","2754","2757","10.1107/S0108270196008037","","","0.71073","MoKα","","0.0593","0.035","","0.0916","0.0886","","","","0.971","1.12","1.12","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005664","4.783","0.001","16.982","0.006","16.205","0.006","90","","96.82","0.04","90","","1306.9","0.7","295","3","295","3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(2,5-dichlorophenylhydrazono)-glutaric acid","","- C11 H10 Cl2 N2 O4 -","- C11 H10 Cl2 N2 O4 -","- C44 H40 Cl8 N8 O16 -","4","1","NA1241","Antolić, S.; Kojic-Prodic, B.; Cohen, J. D.","2-(2,5-Dichlorophenylhydrazono)glutaric Acid and 2-(3,5-Dichlorophenylhydrazono)glutaric Acid","Acta Crystallographica Section C","1996","52","11","2832","2835","10.1107/S0108270196008013","","","1.54184","CuKα","","0.1658","0.0549","","0.1432","0.1241","","","","0.835","1.125","1.125","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005665","7.279","0.001","8.805","0.002","11.753","0.002","73.15","0.01","71.27","0.01","71.09","0.01","660.2","0.2","295","3","295","3","","","","","","","","5","P -1","-P 1","2","","2-(3,5-dichlorophenylhydrazono)-glutaric acid","","- C11 H10 Cl2 N2 O4 -","- C11 H10 Cl2 N2 O4 -","- C22 H20 Cl4 N4 O8 -","2","1","NA1241","Antolić, S.; Kojic-Prodic, B.; Cohen, J. D.","2-(2,5-Dichlorophenylhydrazono)glutaric Acid and 2-(3,5-Dichlorophenylhydrazono)glutaric Acid","Acta Crystallographica Section C","1996","52","11","2832","2835","10.1107/S0108270196008013","","","1.54184","CuKα","","0.098","0.0617","","0.1772","0.1647","","","","0.987","1.114","1.114","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005666","8.16","0.002","22.289","0.004","9.461","0.002","90","","96.51","0.03","90","","1709.7","0.6","295","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-[2-(α-Hydrazonomethyl)-3-benzofuranyl]-p-toluene sulfonamide","","- C17 H17 N3 O3 S -","- C17 H17 N3 O3 S -","- C68 H68 N12 O12 S4 -","4","1","NA1246","Bachechi, F.; Coiro, V. M.; Delfini, M.","<i>N</i>-[2-(1-Hydrazonoethyl)-3-benzofuranyl]-<i>p</i>-toluenesulfonamide","Acta Crystallographica Section C","1996","52","11","2915","2917","10.1107/S0108270196006968","","","0.71073","MoKα","","","0.0525","","","0.0593","","","","","1.0785","1.0785","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2005667","7.7033","0.0002","8.4943","0.0002","15.4169","0.0005","90","","96.201","0.005","90","","1002.89","0.05","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","(-)-(R)-N-[3,4-dihydro-2H-1-benzopyran-2-yl)methyl]- N'-(1,4,5,6-tetrahydro-2-pyrimidyl)-1,3-propanediamine dihydrobromide","","- C17 H28 Br2 N4 O -","- C17 H28 Br2 N4 O -","- C34 H56 Br4 N8 O2 -","2","1","NA1252","Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","({-})-(<i>R</i>)-<i>N</i>-[(3,4-Dihydro-2<i>H</i>-1-benzopyran-2-yl)methyl]-<i>N</i>'-(1,4,5,6-tetrahydro-2-pyrimidyl)-1,3-propanediaminium Dibromide","Acta Crystallographica Section C","1996","52","11","2795","2797","10.1107/S010827019600710X","","","1.54184","CuKα","","0.0335","0.0333","","0.0842","0.0842","","","","1.085","1.085","1.085","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005668","10.608","0.007","9.782","0.009","25.999","0.007","90","","90.44","0.04","90","","2698","3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 Cl2 N2 O2 Ti -","- C26 H34 Cl2 N2 O2 Ti -","- C104 H136 Cl8 N8 O8 Ti4 -","4","1","NA1254","Repo, T.; Klinga, M.; Leskelä, M.; Pietikäinen, P.; Brunow, G.","Dichloro[<i>N</i>,<i>N</i>'-ethylenebis(3-<i>tert</i>-butyl-5-methylsalicylideneiminato)-<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>']titanium(IV), [TiCl~2~(C~26~H~34~N~2~O~2~)]","Acta Crystallographica Section C","1996","52","11","2742","2745","10.1107/S010827019600933X","","","0.71073","MoKα","","0.2051","0.0957","","0.1591","0.1226","","","","0.978","1.231","1.231","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005669","10.319","0.002","8.933","0.002","23.976","0.002","90","","94.92","0.02","90","","2202","0.7","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,7-Dimethyl-5-phenyl-2-(3-thenoylaminomethyl)-2,3-dihydro- 1H-1,4-benzodiazepin-4-ium chloride","","- C23 H24 Cl N3 O S -","- C27 H27 Cl N3 O S2 -","- C108 H108 Cl4 N12 O4 S8 -","4","1","NA1255","Blaton, N. M.; Peeters, O. M.; De Ranter, C. J.","1,7-Dimethyl-5-phenyl-2-(3-thenoylaminomethyl)-2,3-dihydro-1<i>H</i>-1,4-benzodiazepin-4-ium Chloride","Acta Crystallographica Section C","1996","52","11","2793","2795","10.1107/S0108270196007962","","","1.54184","CuKα","","0.082","0.0462","","0.1247","0.1236","","","","1.121","1.112","1.112","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005670","7.935","0.001","25.116","0.003","11.081","0.002","90","0","96.4","0.01","90","0","2194.6","0.6","293","3","293","3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4-Nitro-phenyl)-(1,3,5,8,12-pentaaza-cyclotetradec-3-yl)- -methanone dinitrato copper(II)","","- C16 H26 Cu N8 O9 -","- C16 H26 Cu N8 O9 -","- C64 H104 Cu4 N32 O36 -","4","1","NA1257","Sardone, N.; Licchelli, M.","(4-Nitrophenyl 1,3,5,8,12-pentaazacyclotetradec-3-yl ketone-<i>N</i>^1^,<i>N</i>^5^,<i>N</i>^8^,<i>N</i>^12^)copper(II) Dinitrate","Acta Crystallographica Section C","1996","52","11","2713","2716","10.1107/S0108270196009183","","","1.54184","CuKα","","0.054","0.05","","","0.039","","","","","1.744","1.744","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2005671","28.01","0.01","28.22","0.02","19.24","0.01","107.04","0.06","93.75","0.06","130.71","0.02","10308","14","298","","","","","","","","","","","6","P -1","-P 1","2","","","","- Al2 Er6 H117 Na8 Nb30 O149.5 -","- Al2 Er6 Na8 Nb30 O149.25 -","- Al4 Er12 Na16 Nb60 O298.5 -","2","1","OA1001","Naruke, H.; Yamase, T.","Na~8~H~18~[{Er~3~O(OH)~3~(H~2~O)~3~}~2~Al~2~-(Nb~6~O~19~)~5~].40.5H~2~O","Acta Crystallographica Section C","1996","52","11","2655","2660","10.1107/S0108270196007366","","","0.7107","MoKα","","","0.076","","","0.098","","","","","3.53","3.53","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005672","20.19","0.004","5.388","0.002","22.728","0.003","90","","107.502","0.011","90","","2358","1","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","4-octyloxybiphenyl-4'-yl 4-Methoxybenzoate","","- C28 H32 O4 -","- C28 H32 O4 -","- C112 H128 O16 -","4","1","OA1004","Hori, K.; Nishiura, Y.","4-Octyloxybiphenyl-4'-yl 4-Methoxybenzoate","Acta Crystallographica Section C","1996","52","11","2922","2924","10.1107/S0108270196008517","","","1.5418","CuKα","","0.0505","0.0434","","0.1302","0.1259","","","","1.082","1.084","1.084","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005673","19.368","0.008","24.45","0.01","15.94","0.01","90","","108.72","0.04","90","","7149","6","293","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C51 H104 O46 -","- C51 H49 O45.32 -","- C204 H196 O181.28 -","4","1","PA1216","Rysanek, N.; Le Bas, G.; Villain, F.; Tsoucaris, G.","Inclusion of the Main Pheromone Component of <i>Dacus oleae</i>, 1,7-Dioxaspiro[5,5]undecane, in β-Cyclodextrin","Acta Crystallographica Section C","1996","52","11","2932","2936","10.1107/S0108270196005677","","","1.54184","CuKα","","","0.086","","","0.086","","","","","4.04","4.04","","","","","has coordinates","191097","2020-10-21","18:00:00",""
"2005674","10.661","0.002","5.478","0.002","11.383","0.003","90","","104.57","0.02","90","","643.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,4-Dinitro-diphenyl-sulfone","","- C12 H8 N2 O6 S -","- C12 H8 N2 O6 S -","- C24 H16 N4 O12 S2 -","2","1","PA1230","Ellena, J.; Punte, G.; Nudelman, N. S.","2,4-Dinitrophenyl Phenyl Sulfone","Acta Crystallographica Section C","1996","52","11","2929","2932","10.1107/S0108270196008736","","","0.71073","MoKα","","0.0449","0.0371","","0.0866","0.0811","","","","1.137","1.143","1.143","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005675","8.031","0.001","13.161","0.001","14.477","0.001","90","","90","","90","","1530.2","0.2","293","2","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2,6-dibenzoylhydroquinone","","","- C20 H14 O4 -","- C20 H14 O4 -","- C80 H56 O16 -","4","1","PA1231","Biradha, K.; Desiraju, G. R.; Carrell, H. L.; Katz, A. K.","2,6-Dibenzoylhydroquinone","Acta Crystallographica Section C","1996","52","11","2839","2841","10.1107/S0108270196007615","","","0.71073","MoKα","","0.0575","0.0526","","0.1441","0.1335","","","","0.711","0.709","0.709","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005676","18.15","0.009","17.99","0.009","17.365","0.006","90","","97.39","0.03","90","","5623","4","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[13,16,19,22,25,28,42,45,48,51,54,57-dodecaoxahexacyclo[28.28.1.1^11,40^.- 0^5,58^.0^7,12^.0^29,34^.0^36,41^]hexaconta-1(58),2,4,7,9,11,29,31,33,36,38,40- dodecaene](diiodo)dicaesium","","- C52 H66 Cs2 I2 N2 O12 -","- C52 H66 Cs2 I2 N2 O12 -","- C208 H264 Cs8 I8 N8 O48 -","4","0.5","PA1233","Thuéry, P.; Nierlich, M.; Lamare, V.; Dozol, J.-F.; Asfari, Z.; Vicens, J.","Caesium Iodide Complex of 1,3-Calix[4]-<i>bis</i>-crown-6","Acta Crystallographica Section C","1996","52","11","2729","2731","10.1107/S0108270196006786","","","0.71073","MoKα","","0.032","0.025","","0.04","0.038","","","","1.791","1.879","1.879","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005677","7.267","0.002","17.837","0.007","12.975","0.007","90","","98.78","0.03","90","","1662.1","1.2","293","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,2'-spirobitricyclo[3.3.1.1^3,7^]decanyl acetate","","- C21 H30 O2 -","- C21 H30 O2 -","- C84 H120 O8 -","4","1","PA1240","Vaissermann, J.; Lomas, J. S.","A Highly Strained Tertiary Acetate: 2,2'-Spirobiadamant-1-yl Acetate","Acta Crystallographica Section C","1996","52","11","2837","2839","10.1107/S0108270196007639","","","0.71076","MoKα","","","0.0422","","","0.0405","","","","","3.55","3.55","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005678","11.664","0.004","17.476","0.006","12.408","0.004","90","","94.81","0.03","90","","2520.3","1.5","293","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32.5 H26 O4.5 -","- C32.48 H24 O4.48 -","- C129.92 H96 O17.92 -","4","1","PT1008","Kumar, S. A.; Mathew, T.; Das, S.; Rath, N. P.; George, M. V.","Two Photoproducts Derived from 11,12-Dibenzoyl-9,10-dihydro-9,10-dimethoxy-9,10-ethenoanthracene","Acta Crystallographica Section C","1996","52","11","2797","2800","10.1107/S0108270196005197","","","0.71073","MoKα","","0.1571","0.0435","","0.0816","0.0684","","","","0.777","1.264","1.264","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005679","17.513","0.005","14.897","0.006","19.587","0.008","90","","90","","90","","5110","3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C33 H28 O5 -","- C33 H28 O5 -","- C264 H224 O40 -","8","1","PT1008","Kumar, S. A.; Mathew, T.; Das, S.; Rath, N. P.; George, M. V.","Two Photoproducts Derived from 11,12-Dibenzoyl-9,10-dihydro-9,10-dimethoxy-9,10-ethenoanthracene","Acta Crystallographica Section C","1996","52","11","2797","2800","10.1107/S0108270196005197","","","0.71073","MoKα","","0.0689","0.0389","","0.1041","0.0975","","","","0.97","1.222","1.222","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005680","8.181","0.002","4.696","0.001","8.563","0.002","90","","111.39","0.03","90","","306.31","0.14","113","2","113","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","sulfuric acid","dihydrogen sulfate","","- H2 O4 S -","- H2 O4 S -","- H8 O16 S4 -","4","0.5","SK1004","Kemnitz, E.; Werner, C.; Trojanov, S.","Reinvestigation of Crystalline Sulfuric Acid and Oxonium Hydrogensulfate","Acta Crystallographica Section C","1996","52","11","2665","2668","10.1107/S0108270196006749","","","0.71073","MoKα","","0.0231","0.0212","","0.0623","0.0576","","","","1.139","1.155","1.155","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005681","7.077","0.001","6.955","0.001","8.15","0.002","90","","106.18","0.03","90","","385.26","0.14","160","2","160","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","sulfuric acid monohydrate","oxonium hydrogen sulfate","","- H4 O5 S -","- H4 O5 S -","- H16 O20 S4 -","4","1","SK1004","Kemnitz, E.; Werner, C.; Trojanov, S.","Reinvestigation of Crystalline Sulfuric Acid and Oxonium Hydrogensulfate","Acta Crystallographica Section C","1996","52","11","2665","2668","10.1107/S0108270196006749","","","0.71073","MoKα","","0.0374","0.0332","","0.1075","0.0858","","","","1.126","1.145","1.145","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005682","21.141","0.005","9.61","0.003","13.98","0.004","90","","107.33","0.08","90","","2711.3","1.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(4-nitrobenzyl) oximinoether] hexahydroazepine 2,3-dione.","","- C13 H15 N3 O4 -","- C13 H15 N3 O4 -","- C104 H120 N24 O32 -","8","1","SK1016","Tranqui, D.; Elfrom, H.; Pera, H.; Leclerc, G.","3-(4-Nitrobenzyloximino)hexahydroazepin-2-one","Acta Crystallographica Section C","1996","52","11","2880","2882","10.1107/S0108270196007688","","","1.5418","CuKα","","0.0517","0.0406","","0.1077","0.1008","","","","0.438","0.55","0.55","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005683","13.078","0.01","13.078","0.01","11.871","0.01","90","","90","","90","","2030","3","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","(tetraethylammonium,tetramethylammonium)-tetrachlorocuprate","","- C12 H32 Cl4 Cu N2 -","- C12.5 H33 Cl4 Cu N2 -","- C50 H132 Cl16 Cu4 N8 -","4","0.5","SK1018","Mahoui, A.; Lapasset, J.; Moret, J.; Saint Grégoire, P.","Tetraethylammonium Tetramethylammonium Tetrachlorocuprate(II), [(C~2~H~5~)~4~N][(CH~3~)~4~N][CuCl~4~]","Acta Crystallographica Section C","1996","52","11","2674","2676","10.1107/S0108270196009031","","","1.5418","CuKα","","0.0761","0.0702","","0.1763","0.1716","","","","1.097","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005684","7.603","0.001","13.634","0.002","13.405","0.002","90","","90","","90","","1389.6","0.3","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","cis-aconitic acid","1-propene-cis(1,2),3-tricarboxylic acid","","- C6 H6 O6 -","- C6 H6 O6 -","- C48 H48 O48 -","8","1","SK1040","Nagel, N.; Endruschat, U.; Bock, H.","<i>cis</i>-Aconitic Acid at 150K","Acta Crystallographica Section C","1996","52","11","2912","2915","10.1107/S0108270196008220","","","0.71073","MoKα","","0.0505","0.0375","","0.0995","0.0917","","","","1.029","1.059","1.059","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005685","8.502","0.002","9.653","0.003","11.767","0.002","72.01","","74.57","","72.74","","860.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","acetyloxymethyl 4-chloro-N-furfuryl-5-sulfamoylanthranilate","","- C15 H15 Cl N2 O7 S -","- C15 H15 Cl N2 O7 S -","- C30 H30 Cl2 N4 O14 S2 -","2","1","SX1003","González, O. A.; Mombrú, A. W.; Suescun, L. P.; Mariezcurrena, R. A.; Manta, E.; Prandi, C.","Acetoxymethyl 4-Chloro-<i>N</i>-furfuryl-5-sulfamoylanthranilate, an Absorption Furosemide Prodrug","Acta Crystallographica Section C","1996","52","11","2875","2878","10.1107/S0108270196008360","","","0.71073","MoKα","","0.1086","0.0511","","0.1437","0.1179","","","","0.93","1.088","1.088","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005686","6.936","0.002","9.747","0.003","12.057","0.001","101.81","0.01","102.65","0.02","112.03","0.01","699.2","0.3","293","1","","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H14 Cl Cu N4 O6 -","- C11 H14 Cl Cu N4 O6 -","- C22 H28 Cl2 Cu2 N8 O12 -","2","1","SZ1007","Chen, Z.-N.; Jun, Q.; Tang, W.-X.; Chen, J.; Zheng, P.-J.","A μ-Oxamidato-Bridged Dinuclear Copper(II) Complex","Acta Crystallographica Section C","1996","52","11","2752","2754","10.1107/S0108270196005793","","","0.71073","MoKα","","","0.026","","","0.028","","","","","0.66","0.66","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2005687","9.078","0.002","14.909","0.003","16.576","0.003","90","","91.73","0.03","90","","2242.4","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H19 N O2 -","- C31 H19 N O2 -","- C124 H76 N4 O8 -","4","1","SZ1023","Muneer, M.; George, M. V.; Rath, N. P.","The Photoproduct Derived from 9-Cyanodibenzobarrelene","Acta Crystallographica Section C","1996","52","11","2800","2802","10.1107/S0108270196007238","","","1.54178","CuKα","","0.0539","0.0423","","0.1184","0.1098","","","","1.304","1.378","1.378","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2005688","9.43","0.001","10.007","0.001","10.023","0.002","90.29","0.01","109.01","0.01","104.1","0.1","863.6","0.5","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N4 S -","- C21 H16 N4 S -","- C42 H32 N8 S2 -","2","1","TA1008","Zhang, Z.-Y.; Zou, N.; Zhu, Y.; Zhao, L.; Li, M.","Studies on Condensed Heterocyclic Compounds. XIII. 6-(4-Methylphenyl)-3-(1-naphthylmethylene)-<i>s</i>-triazolo[3,4-<i>b</i>][1,3,4]thiadiazole","Acta Crystallographica Section C","1996","52","11","2787","2789","10.1107/S0108270196001746","","","1.5418","CuKα","","","0.069","","","0.072","","","","","0.91","0.91","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005689","12.837","0.003","18.081","0.004","11.747","0.004","96.49","0.02","106.84","0.03","107.77","0.03","2423.7","1.4","298","","298","","","","","","","","","7","P -1","-P 1","2","","Bis[S,S'(-)-trans-3,3'-(1,2-cyclohexandiyldinitrilo)-bis(2-methylpropane-2- thialato)nickel(II)] [(μ-iodocopper(I)-κ^2^S^1^,S^2'^)(μ-iodocopper(I)-κ^2^S^2^,S^1'^)(μ- iodocopper(I)-κ^2^S^2^,S^2'^)].diacetonitrile","","- C32 H62 Cu3 I3 N6 Ni2 S4 -","- C32 H62 Cu3 I3 N6 Ni2 S4 -","- C64 H124 Cu6 I6 N12 Ni4 S8 -","2","1","TA1057","Fox, S.; Stibrany, R. T.; Potenza, J. A.; Schugar, H. J.","A Mixed-Metal Pentanuclear Complex Containing Linked Ni^II^N~2~S~2~ and Cu^I^I Units","Acta Crystallographica Section C","1996","52","11","2731","2734","10.1107/S0108270196001308","","","0.71073","MoKα","","5.25","0.0388","","","0.047","","","","","1.6","1.6","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2005690","14.88","0.005","7.044","0.004","16.836","0.008","90","","110.93","0.05","90","","1648.2","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","mer-triaquaO,O'chloranilatoiron(III)","","- C6 H16 Cl3 Fe O12 -","- C6 H16 Cl3 Fe O12 -","- C24 H64 Cl12 Fe4 O48 -","4","1","TA1074","Abrahams, B. F.; Hoskins, B. F.; Robson, R.","<i>mer</i>-Triaqua(chloranilato-<i>O</i>,<i>O</i>')chloroiron(III) Pentahydrate","Acta Crystallographica Section C","1996","52","11","2766","2768","10.1107/S010827019600577X","","","0.71069","MoKα","","0.056","0.0345","","0.074","0.0663","","","","1.027","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005691","8.5879","0.0007","17.461","0.0008","7.893","0.001","90","","113.82","0.01","90","","1082.76","0.19","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 N O5 -","- C10 H13 N O5 -","- C40 H52 N4 O20 -","4","1","TA1075","Zhu, Y.; Jia, Z.-J.; Shi, J.-G.; Wang, H.-Q.","A Pyridine-2,6(1<i>H</i>,3<i>H</i>)-dione Alkaloid","Acta Crystallographica Section C","1996","52","11","2791","2793","10.1107/S010827019600131X","","","1.54184","CuKα","","","0.054","","","0.055","","","","","0.801","0.801","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005692","8.856","0.001","24.985","0.002","10.507","0.001","90","","90","","90","","2324.9","0.4","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Methyl-3-phenyl-2,5-dihydro-1,2,4-triazin-6(1H)-one Methanol Solvate","","- C11 H15 N3 O2 -","- C11 H14 N3 O2 -","- C88 H112 N24 O16 -","8","1","TA1096","Collins, D. J.; Hughes, T. C.; Johnson, W. M.; Mackay, M. F.","2-Methyl-3-phenyl-2,5-dihydro-1,2,4-triazin-6(1<i>H</i>)-one Methanol Solvate and 4-Methyl-3-phenyl-4,5-dihydro-1,2,4-triazin-6(1<i>H</i>)-one","Acta Crystallographica Section C","1996","52","11","2865","2868","10.1107/S0108270196008335","","","1.5418","CuKα","","","0.05","","","0.131","","","","","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005693","6.6707","0.0005","7.0151","0.0005","20.722","0.001","90","","98.71","0.01","90","","958.52","0.11","291","2","293","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Methyl-3-phenyl-4,5-dihydro-1,2,4-triazin-6(1H)-one","","- C10 H11 N3 O -","- C10 H11 N3 O -","- C40 H44 N12 O4 -","4","1","TA1096","Collins, D. J.; Hughes, T. C.; Johnson, W. M.; Mackay, M. F.","2-Methyl-3-phenyl-2,5-dihydro-1,2,4-triazin-6(1<i>H</i>)-one Methanol Solvate and 4-Methyl-3-phenyl-4,5-dihydro-1,2,4-triazin-6(1<i>H</i>)-one","Acta Crystallographica Section C","1996","52","11","2865","2868","10.1107/S0108270196008335","","","1.5418","CuKα","","","0.037","","","0.093","","","","","1.172","1.172","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005694","13.841","0.002","9.308","0.003","26.308","0.006","90","0.02","90","0.02","90","0.02","3389.3","1.4","200","0.1","200","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H22 N2 O5 S -","- C16 H22 N2 O5 S -","- C128 H176 N16 O40 S8 -","8","1","TA1098","White, J. M.; Giordano, J.; Green, A. J.","<i>trans</i>-4-<i>tert</i>-Butylcyclohexyl 2,4-Dinitrobenzenesulfenate","Acta Crystallographica Section C","1996","52","11","2783","2785","10.1107/S0108270196008347","","","1.5418","CuKα(Ni-filtered)","","0.0552","0.0384","","0.1001","0.0898","","","","1.028","1.052","1.052","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005695","6.07","0.002","12.824","0.003","18.457","0.005","90","","93.14","0.03","90","","1434.6","0.7","151","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Methyl 2-benzoyloxy-3-oxo-3-phenylpropanoate","","- C17 H14 O5 -","- C17 H14 O5 -","- C68 H56 O20 -","4","1","TA1103","Shaw, J. P.; Tan, E. W.; Blackman, A. G.","Methyl 2-Benzoyloxy-3-oxo-3-phenylpropanoate","Acta Crystallographica Section C","1996","52","11","2883","2885","10.1107/S0108270196008323","","","0.71073","MoKα","","0.0574","0.0332","","0.0665","0.0627","","","","0.831","0.993","0.993","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005696","5.197","0.002","16.097","0.002","18.718","0.002","90","","90","","90","","1565.9","0.7","298","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H24 N2 O4 S -","- C11 H18 N2 O4 S2 -","- C44 H72 N8 O16 S8 -","4","1","VJ1038","Mitra, S. N.; Govindasamy, L.; Subramanian, E.","<small>L</small>-Leucyl-<small>L</small>-alanine Dimethyl Sulfoxide Solvate","Acta Crystallographica Section C","1996","52","11","2871","2873","10.1107/S0108270196007743","","","1.54184","CuKα","","","0.075","","","0.083","","","","","1.02","1.02","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005697","12.202","0.001","12.364","0.002","13.29","0.002","79.8","0.01","88.9","0.01","82.6","0.01","1956.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-1,3-diferrocenyl-2-buten-1-one","","- C48 H45 Fe4 O2.5 -","- C48 H44 Fe4 O2.5 -","- C96 H88 Fe8 O5 -","2","1","AB1313","Erasmus, J. J. C.; Lamprecht, G. J.; Swarts, J. C.; Roodt, A.; Oskarsson, Å.","(<i>E</i>)-1,3-Diferrocenyl-2-buten-1-one‒Water (4/1)","Acta Crystallographica Section C","1996","52","12","3000","3002","10.1107/S0108270196004258","","","0.71073","MoKα","","0.0739","0.0398","","0.1203","0.0951","","","","1.11","1.119","1.119","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005698","10.075","0.002","10.075","0.002","10.075","0.002","90","","90","","90","","1022.7","0.2","293","","","","","","","","","","Synthetic","4","P 21 3","P 2ac 2ab 3","198","","","","- Be3 F12 K2 Mn2 -","- Be3 F12 K2 Mn2 -","- Be12 F48 K8 Mn8 -","4","0.333333","","Guelylah A; Breczewski T; Madariaga G","A New Langbeinite: Dipotassium Dimanganese Tetrafluoroberyllate","Acta Crystallographica C","1996","52","","2951","2954","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"2005699","10.421","0.001","10.421","0.001","10.421","0.001","90","","90","","90","","1131.69","0.19","295","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- Cd2 O12 S3 Tl2 -","- Cd2 O12 S3 Tl2 -","- Cd8 O48 S12 Tl8 -","4","0.333333","AB1353","Guelylah, A.; Madariaga, G.; Breczewski, T.","Langbeinite-Type Cubic Dithallium Dicadmium Sulfate","Acta Crystallographica Section C","1996","52","12","2954","2956","10.1107/S0108270196008815","","","0.71073","MoKα","","","0.051","","","0.04","","","","","1.412","1.412","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005700","6.245","0.002","20.797","0.002","6.7034","0.0014","90","","105.42","0.02","90","","839.3","0.3","293","","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H26 N2 O9 Pt -","- C12 H26 N2 O9 Pt -","- C24 H52 N4 O18 Pt2 -","2","1","AB1376","Yuge, H.; Miyamoto, T. K.","(<i>trans</i>-1<i>R</i>,2<i>R</i>-Cyclohexanediamine-<i>N</i>,<i>N</i>')(<small>L</small>-ascorbato-<i>C</i>^2^,<i>O</i>^5^)platinum(II)‒Water (1/3)","Acta Crystallographica Section C","1996","52","12","3002","3005","10.1107/S0108270196009493","","","0.71069","MoKα","","0.0327","0.0283","","0.0652","0.0638","","","","1.17","1.188","1.188","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005701","10.029","0.001","11.051","0.001","13.794","0.001","71.81","0.01","73.87","0.01","73.61","0.01","1362.9","0.2","298","","","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H23 Cl7 N4 O P4 -","- C15 H23 Cl7 N4 O P4 -","- C30 H46 Cl14 N8 O2 P8 -","2","1","AB1378","Hökelek, T.; Kiliç, A.; Begeç, S.; Kiliç, Z.; Yildiz, M.","2-(2,6-Di-<i>tert</i>-butyl-4-methylphenoxy)-2,4,4,6,6,8,8-heptachlorocyclo-2λ^5^,4λ^5^,6λ^5^,8λ^5^-tetraphosphazatetraene","Acta Crystallographica Section C","1996","52","12","3243","3246","10.1107/S0108270196009420","","","0.71073","MoKα","","","0.033","","","0.043","","","","","1.45","1.45","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005702","6.99","0.003","13.887","0.004","16.389","0.003","90","","92.47","0.04","90","","1589.4","0.9","294","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N O5 P -","- C15 H20 N O5 P -","- C60 H80 N4 O20 P4 -","4","1","AB1384","Tahir, M. N.; Ülkü, D.; Yilmaz, H.; Nazir, H.","Ethyl {[<i>N</i>-(2-Hydroxyethyl)amino](2-hydroxy-1-naphthyl)methyl}phosphonate","Acta Crystallographica Section C","1996","52","12","3133","3135","10.1107/S0108270196009304","","","0.71073","MoKα","","","0.049","","","0.054","","","","","1.24","1.24","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005703","8.397","0.001","6.083","0.001","9.671","0.001","90","","111.53","0.01","90","","459.52","0.11","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","2,4,6-Trinitro-1,3,5-benzenetriol","","- C6 H3 N3 O9 -","- C6 H3 N3 O9 -","- C12 H6 N6 O18 -","2","1","AB1389","Wolff, J. J.; Gredel, F.; Irngartinger, H.; Dreier, T.","Trinitrophloroglucinol","Acta Crystallographica Section C","1996","52","12","3225","3227","10.1107/S0108270196009523","","","0.71073","MoKα","","0.048","0.037","","","0.047","","","","","2.3","2.3","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005704","14.945","0.003","11.416","0.002","9.674","0.002","90","","105.03","0.03","90","","1594","0.6","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H22 Cl2 N8 O2 -","- C7 H22 Cl2 N8 O2 -","- C28 H88 Cl8 N32 O8 -","4","1","AB1391","Koskinen, J.; Koskinen, M.; Mutikainen, I.; Mannfors, B.; Elo, H.","Ethylmethylglyoxal Bis(amidinohydrazonium) Dichloride‒Water (1/2)","Acta Crystallographica Section C","1996","52","12","3167","3169","10.1107/S0108270196009535","","","0.71073","MoKα","","0.1126","0.0696","","0.2017","0.1666","","","","0.944","1.025","1.025","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005705","10.745","0.001","13.546","0.002","14.3","0.002","90","","90","","90","","2081.4","0.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[1(1,2,3,3a,6a-η)-1,4-dihydropentalenyl]-μ-[1(1,2,3,3a,6a-η): 2(3a,4,5,6,6a-η)]pentalene-[2(η^5^)-1,2,3,4,5-pentamethylcyclopentadienyl]- cobaltiron","","- C26 H28 Co Fe -","- C26 H28 Co Fe -","- C104 H112 Co4 Fe4 -","4","1","AB1392","Miravitlles, C.; Molins, E.; Maniukiewicz, W.; Mas, M.; Manríquez, J. M.; Chávez, I.; Oelckers, B.; Alvarez-Larena, A.; Briansó, J. L.","Triple-Decker Pentalene Complex of Iron and Cobalt","Acta Crystallographica Section C","1996","52","12","3047","3049","10.1107/S0108270196009961","","","0.71069","MoKα","","0.0882","0.0335","","0.0878","0.0644","","","","0.978","1.116","1.116","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005706","5.268","0.005","9.826","0.007","16.572","0.008","90","","96.48","0.05","90","","852.3","1.1","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4,4'-[1,6-Hexanediylbis(oxy)]-bisbenzaldehyde","","- C20 H22 O4 -","- C20 H22 O4 -","- C40 H44 O8 -","2","0.5","AB1393","Artzner, F.; Albouy, P.-A.; Berruyer, G.; Veber, M.; Mérienne, C.; Robert, F.","4,4'-[1,6-Hexanediylbis(oxy)]bisbenzaldehyde","Acta Crystallographica Section C","1996","52","12","3234","3236","10.1107/S0108270196009973","","","0.71069","MoKα","","","0.032","","","0.03","","","","","2.92","2.92","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005707","36.429","0.003","10.703","0.001","16.53","0.001","90","","90","","90","","6445","0.9","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C53 H70 B18 Cl2 P4 Rh2 S2 -","- C53 H68 B18 Cl2 P4 Rh2 S2 -","- C212 H272 B72 Cl8 P16 Rh8 S8 -","4","1","AB1398","Rosair, G. M.; Welch, A. J.; Weller, A. S.","8-[1,2-Bis(diphenylphosphino)ethane]-9,10-μ-hydrido-8-rhoda-7-thia-<i>nido</i>-undecaborane(10)‒Dichloromethane (2/1)","Acta Crystallographica Section C","1996","52","12","3020","3024","10.1107/S0108270196010748","","","0.71073","MoKα","","0.0858","0.0529","","0.1406","0.1051","","","","1.104","1.049","1.049","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005708","10.572","0.011","11.07","0.01","17.109","0.014","97.05","0.07","101.34","0.09","108.38","0.09","1826","3","193","1","193","1","","","","","","","","5","P -1","-P 1","2","Bis(dianilinopyridine)tantalumtrichloride","Trichlorobis[2,6-di(phenylamino)pyridinato-N,N')tantalum(V)","","- C41 H36 Cl3 N6 Ta -","- C41 H36 Cl3 N6 Ta -","- C82 H72 Cl6 N12 Ta2 -","2","1","AB1399","Polamo, M.","Trichlorobis[2,6-di(phenylamino)pyridinato-<i>N</i>,<i>N</i>']tantalum(V) Toluene Solvate (1/1)","Acta Crystallographica Section C","1996","52","12","2977","2980","10.1107/S0108270196011328","","","0.71073","MoKα","","0.0685","0.068","","0.1908","0.1902","","","","1.152","1.162","1.162","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005709","11.505","0.002","11.785","0.002","19.95","0.003","74.93","0.02","78.32","0.02","87.122","0.013","2557.8","0.8","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","Ferrocene-1,1'-diylbis[bis(4-methoxyphenyl)methanol]-methanol (3/2)","","- C40.66667 H40.66667 Fe O6.66667 -","- C40.6667 H40.6667 Fe O6.66667 -","- C122 H122 Fe3 O20 -","3","1.5","AB1403","Bell, W.; Ferguson, G.; Glidewell, C.","A Paucity of Hydrogen Bonds in Ferrocene-1,1'-diylbis[bis(4-methoxyphenyl)methanol]‒ Methanol (3/2)","Acta Crystallographica Section C","1996","52","12","3009","3013","10.1107/S010827019601075X","","","0.7107","MolybdenumKα","","0.2113","0.0686","","0.127","0.1035","","","","0.86","1.277","1.277","","","","","has coordinates","196234","2020-10-21","18:00:00",""
"2005710","9.45","0.002","24.456","0.003","9.484","0.002","90","","103.607","0.013","90","","2130.3","0.7","294","1","294","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-Dihydroxybenzophenone","","- C13 H10 O3 -","- C13 H9.722 O3 -","- C104 H77.776 O24 -","8","2","AB1407","Ferguson, G.; Glidewell, C.","Two- and Three-Dimensional Hydrogen-Bonding Networks in the Structures of 4,4'-Dihydroxybenzophenone and 4,4'-Thiodiphenol","Acta Crystallographica Section C","1996","52","12","3057","3062","10.1107/S0108270196011377","","","0.7107","MolybdenumKα","","0.2265","0.07","","0.2188","0.1809","","","","0.917","1.454","1.454","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005711","5.5808","0.0008","21.128","0.003","8.8006","0.0012","90","","93.192","0.01","90","","1036.1","0.3","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,4'-Thiodiphenol","","- C12 H10 O2 S -","- C12 H10 O2 S -","- C48 H40 O8 S4 -","4","1","AB1407","Ferguson, G.; Glidewell, C.","Two- and Three-Dimensional Hydrogen-Bonding Networks in the Structures of 4,4'-Dihydroxybenzophenone and 4,4'-Thiodiphenol","Acta Crystallographica Section C","1996","52","12","3057","3062","10.1107/S0108270196011377","","","0.7107","MolybdenumKα","","0.2068","0.0472","","0.1044","0.0837","","","","0.825","1.197","1.197","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005712","5.6703","0.0005","11.4012","0.0012","11.6108","0.0013","100.619","0.013","92.757","0.007","96.479","0.008","731.22","0.13","294","1","294","1","","","","","","","","5","P -1","-P 1","2","Piperazine‒4,4'-sulfonyldiphenol (1/2)","piperazin-1,4-diium di(4,4'-sulfonyldiphenolate) .","","- C28 H30 N2 O8 S2 -","- C28 H30 N2 O8 S2 -","- C28 H30 N2 O8 S2 -","1","0.5","AB1418","Coupar, P. I.; Ferguson, G.; Glidewell, C.","Piperazine‒4,4'-Sulfonyldiphenol (1/2): a Self-Assembled Channel Structure","Acta Crystallographica Section C","1996","52","12","3052","3055","10.1107/S010827019601133X","","","0.7107","MolybdenumKα","","0.0951","0.0531","","0.1416","0.1276","","","","0.981","1.127","1.127","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005713","10.689","0.001","11.577","0.001","12.355","0.001","117.86","0.01","94.35","0.01","100.75","0.01","1304.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,2,3,4-Tetraphenyl-5-(4-pyridyl)bicyclo[2.2.1]hept-2-ene-7-one","","- C36 H27 N O -","- C36 H27 N O -","- C72 H54 N2 O2 -","2","1","BK1217","Wheeler, K. A.; Carrow, C. J.","A Bicyclo[2.2.1]heptenone System","Acta Crystallographica Section C","1996","52","12","3183","3185","10.1107/S0108270196009821","","","0.71073","MoKα","","0.149","0.0589","","0.142","0.109","","","","1.03","1.12","1.12","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005714","14.438","0.002","14.508","0.005","16.827","0.001","73.89","0.02","68.23","0.01","87.44","0.02","3138.1","1.3","294","","294","","","","","","","","","4","P -1","-P 1","2","","2,4,6-tri-O-benzyl-myo-inositol 1,3,5-tris(dibenzyl-phosphate)","","- C69 H69 O15 P3 -","- C69 H69 O15 P3 -","- C138 H138 O30 P6 -","2","1","BK1235","Graingeot, V.; Brigando, C.; Faure, B.; Benlian, D.","2,4,6-Tri-<i>O</i>-benzyl-<i>myo</i>-inositol 1,3,5-Tris(dibenzylphosphate)","Acta Crystallographica Section C","1996","52","12","3229","3232","10.1107/S0108270196010037","","","0.71073","MoKα","","0.055","0.05","","","0.066","","","","","2.18","2.18","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2005715","10.02","0.003","15.493","0.004","13.851","0.005","90","","93.81","0.03","90","","2145.5","1.2","293","2","243","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(N,N,N',N'-tetramethylethylenediamine)-1,1,3,3-tetrakis(trifluoromethyl) -2-oxo-propanediolato copper(II)","","- C15 H19 Cu F12 N2 O3 -","- C15 H19 Cu F12 N2 O3 -","- C60 H76 Cu4 F48 N8 O12 -","4","1","BK1239","George, C.; Purdy, A. P.","[2,2'-Oxybis(1,1,1,3,3,3-hexafluoro-2-propanolato-<i>O</i>)](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-<i>N</i>,<i>N</i>')copper(II) Hemibenzene Solvate","Acta Crystallographica Section C","1996","52","12","2987","2989","10.1107/S0108270196010700","","","0.71073","MoKα","","0.104","0.052","","0.125","0.1017","","","","1.03","1.076","1.076","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005716","18.104","0.003","7.6912","0.0011","17.6","0.003","90","","93.687","0.007","90","","2445.6","0.7","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","cis-Diaqua-bis(2,2'-bipyrimidine-N,N')cobalt(II) Diperchlorate Dihydrate","","- C16 H20 Cl2 Co N8 O12 -","- C16 H20 Cl2 Co N8 O12 -","- C64 H80 Cl8 Co4 N32 O48 -","4","0.5","BK1247","Brunzelle, J.; Fitch, A.; Wang, Y.; Pavkovic, S. F.","<i>cis</i>-Diaquabis(2,2'-bipyrimidine-<i>N</i>,<i>N</i>')cobalt(II) Diperchlorate Dihydrate, [Co(C~8~H~6~N~4~)~2~(H~2~ O)~2~](ClO~4~)~2~.2H~2~O","Acta Crystallographica Section C","1996","52","12","2984","2987","10.1107/S0108270196010426","","","0.7107","MoKα","","0.0392","0.034","","0.102","0.0988","","","","1.06","1.115","1.115","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005717","5.655","0.001","12.248","0.002","4.736","0.001","99.54","0.01","106.34","0.01","96.27","0.01","306.19","0.1","173","","173","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H18 N2 O5 -","- C12 H18 N2 O5 -","- C12 H18 N2 O5 -","1","1","BK1257","Ojala, W. H.; Gleason, W. B.","Mannose Phenylhydrazone, an Acyclic Monosaccharide Derivative","Acta Crystallographica Section C","1996","52","12","3188","3190","10.1107/S0108270196009882","","","1.5418","CuKα","","","0.027","","","0.033","","","","","2.46","2.46","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005718","10.4304","0.0003","10.8912","0.0009","15.8159","0.0015","72.231","0.007","72.719","0.011","82.798","0.007","1632.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Nitrato(2,3,7,8,12,13,17,18-octaethylporphyrinato)iron(III)","","- C36 H44 Fe N5 O3 -","- C36 H44 Fe N5 O3 -","- C72 H88 Fe2 N10 O6 -","2","1","BK1259","Ellison, M. K.; Shang, M.; Kim, J.; Scheidt, W. R.","Nitrato(2,3,7,8,12,13,17,18-octaethylporphyrinato)iron(III)","Acta Crystallographica Section C","1996","52","12","3040","3043","10.1107/S0108270196010062","","","0.71073","MoKα","","0.0932","0.06","","0.1548","0.134","","","","1.027","1.071","1.071","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005719","10.058","0.001","4.971","0.002","22.924","0.002","90","","97.897","0.009","90","","1135.3","0.5","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","2-naphthylbutyric acid","4-(2-naphthyl)butanoic acid","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","BK1262","Dobson, A. J.; Gerkin, R. E.","4-(2-Naphthyl)butanoic Acid","Acta Crystallographica Section C","1996","52","12","3083","3086","10.1107/S0108270196009547","","","0.71073","MoKα","","","0.04","","","0.048","","","","","1.63","1.63","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005720","5.737","0.002","11.622","0.003","20.827","0.005","90","","93.61","0.02","90","","1385.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H26 B P -","- C12 H26 B P -","- C48 H104 B4 P4 -","4","1","BK1263","Day, M. W.; Mohr, B.; Grubbs, R. H.","(Dicyclohexylphosphino)borane, BH~3~PH(C~6~H~11~)~2~, a Precursor to Water-Soluble Phosphine Ligands","Acta Crystallographica Section C","1996","52","12","3106","3108","10.1107/S0108270196010050","","","0.71073","MoKα","","0.055","0.043","","0.092","0.087","","","","2.29","2.48","2.48","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005721","11.4","0.002","7.135","0.001","13.113","0.002","90","","114.49","0.01","90","","970.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Triaqua(oxydiacetato-O,O',O'')strontium(II) Monohydrate","","- C4 H12 O9 Sr -","- C4 H12 O9 Sr -","- C16 H48 O36 Sr4 -","4","1","BK1264","Baggio, R.; Perec, M.; Garland, M. T.","Triaqua(oxydiacetato-<i>O</i>,<i>O</i>',<i>O</i>'')strontium(II) Monohydrate","Acta Crystallographica Section C","1996","52","12","2996","2999","10.1107/S0108270196010049","","","0.71073","MoKα","","0.0501","0.034","","0.085","0.0771","","","","1.029","1.057","1.057","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005722","40.877","0.002","6.96","0.003","7.371","0.002","90","","90","","90","","2097.1","1.1","296","","296","","","","","","","","","3","P b c n","-P 2n 2ab","60","3-phenylsalicylic acid","2-hydroxybiphenyl-3-carboxylic acid","","- C13 H10 O3 -","- C13 H10 O3 -","- C104 H80 O24 -","8","1","BK1266","Dobson, A. J.; Gerkin, R. E.","2-Hydroxybiphenyl-3-carboxylic Acid (3-Phenylsalicylic Acid)","Acta Crystallographica Section C","1996","52","12","3088","3091","10.1107/S0108270196010530","","","0.71073","MoKα","","","0.037","","","0.046","","","","","1.79","1.79","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005723","7.317","0.0001","17.3766","0.0001","19.7908","0.0003","90","","98.025","0.001","90","","2491.65","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Aqua(2,6-diacetylpyridinedi(benzoic acid hydrazone)nitratocobalt(II) nitrate","","- C23 H23 Co N7 O9 -","- C23 H23 Co N7 O9 -","- C92 H92 Co4 N28 O36 -","4","1","BK1270","Abboud, K. A.; Palenik, R. C.; Palenik, G. J.","Aqua[2,6-diacetylpyridinedi(benzoic acid hydrazone)]nitratocobalt(II) Nitrate at 173K","Acta Crystallographica Section C","1996","52","12","2994","2996","10.1107/S0108270196011407","","","0.71073","MoKα","","0.0406","0.034","","0.095","0.0879","","","","1.04","1.055","1.055","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005724","10.659","0.005","15.827","0.006","17.315","0.003","65.22","0.02","81.6","0.02","81.69","0.03","2612.3","1.7","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","9,10-bis(1-pyridylmethyl)anthracene dichloride dimethanol water solvate","","- C28 H32 Cl2 N2 O3 -","- C28 H32 Cl2 N2 O3 -","- C112 H128 Cl8 N8 O12 -","4","2","BK1271","Bryan, J. C.; Gakh, A. A.; Sachleben, R. A.","9,10-Bis(1-pyridiniomethyl)anthracene Dichloride‒Methanol‒Water (1/2/1)","Acta Crystallographica Section C","1996","52","12","3091","3093","10.1107/S0108270196011432","","","0.71073","MoKα","","0.075","0.038","","0.118","0.101","","","","1.01","1.07","1.07","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005725","12.529","0.004","12.529","0.004","12.635","0.008","90","","90","","90","","1983.4","1.5","233","2","293","2","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","","","- C19 H14 Cl2 Mn2 O6 -","- C19 H12 Cl2 Mn2 O6 -","- C76 H48 Cl8 Mn8 O24 -","4","0.25","BK1272","Utz, T. L.; Geib, S. J.; Cooper, N. J.","Solvate-Dependent Polymorphism: Crystallization of [{Mn(CO)~3~}~2~{μ-(η^5^-C~6~H~6~-η^5^-C~6~H~6~)}] from CH~2~Cl~2~ as a Mono-Solvate in the Rare Tetragonal Space Group <i>P</i>4~2~/<i>mbc</i>","Acta Crystallographica Section C","1996","52","12","2992","2994","10.1107/S0108270196010815","","","0.71073","MoKα","","0.0835","0.052","","0.155","0.1253","","","","1.062","1.092","1.092","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005726","10.413","0.002","15.7825","0.0013","15.503","0.002","90","","99.513","0.007","90","","2512.8","0.6","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","9,10-bis(7-fluoro-2,5-dioxaheptyl)triptycene","","","- C30 H32 F2 O4 -","- C30 H32 F2 O4 -","- C120 H128 F8 O16 -","4","1","BK1273","Gakh, A. A.; Bryan, J. C.; Sachleben, R. A.","9,10-Bis(7-fluoro-2,5-dioxaheptyl)triptycene","Acta Crystallographica Section C","1996","52","12","3093","3095","10.1107/S0108270196010694","","","0.71073","MoKα","","0.035","0.035","","0.095","0.095","","","","1.017","1.046","1.046","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005727","6.9888","0.001","5.6836","0.0005","16.019","0.002","90","","101.822","0.011","90","","622.8","0.13","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,7-(Di-2-thienyl)-1,5,2,4,6,8-dithiatetrazocine","","- C10 H6 N4 S4 -","- C10 H6 N4 S4 -","- C20 H12 N8 S8 -","2","0.5","BK1274","Barclay, T. M.; Cordes, A. W.; Oakley, R. T.; Preuss, K. E.","3,7-Bis(2-thienyl)-1,5,2,4,6,8-dithiatetrazocine","Acta Crystallographica Section C","1996","52","12","3250","3252","10.1107/S0108270196010797","","","0.7107","MolybdenumKα","","0.035","0.035","","0.059","0.059","","","","","1.05","1.05","","","","","has coordinates,has disorder","200183","2020-10-21","18:00:00",""
"2005728","8.7472","0.0007","34.341","0.006","18.952","0.002","90","","97.854","0.007","90","","5639.5","1.2","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2,2'-bipyridine-1κ^2^N)(2,2':6',2''-terpyridine-1κ^3^N)(pentaammino-2κ^5^N)- (μ-4,4'-bipyridine-N,N')diruthenium Tetrakis(pentafluorophosphate) Acetonitrile Solvate","","- C37 H45 F24 N13 P4 Ru2 -","- C37 H42 F24 N13 P4 Ru2 -","- C148 H168 F96 N52 P16 Ru8 -","4","1","BK1275","Szalda, D. J.; Fagalde, F.; Katz, N. E.","Pentaammine-2κ^5^<i>N</i>-(μ-4,4'-bipyridine-1κ<i>N</i>:2κ<i>N</i>')(2,2'-bipyridine-1κ^2^<i>N</i>,<i>N</i>')(2,2':6',2''-terpyridine-1κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')diruthenium Tetrakis(hexafluorophosphate) Acetonitrile Solvate","Acta Crystallographica Section C","1996","52","12","3013","3016","10.1107/S0108270196011249","","","1.5418","CuKα","","0.1361","0.066","","0.2086","0.177","","","","0.925","1.07","1.07","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005729","10.6297","0.001","6.2597","0.0004","9.9677","0.0007","90","","93.034","0.007","90","","662.31","0.09","200","1","200","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,1,3,3-tetramethylurea","","","- C5 H12 N2 O -","- C5 H12 N2 O -","- C20 H48 N8 O4 -","4","0.5","BM1063","Frampton, C. S.; Parkes, K. E. B.","1,1,3,3-Tetramethylurea","Acta Crystallographica Section C","1996","52","12","3246","3248","10.1107/S0108270196011146","","","1.54178","CuKα","","0.0372","0.0337","","0.1309","0.0994","","","","1.064","1.084","1.084","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005730","7.974","0.002","21.692","0.004","10.038","0.007","90","","90","","90","","1736.3","1.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H16 B2 Cu F8 N4 -","- C12 H16 B2 Cu F8 N4 -","- C48 H64 B8 Cu4 F32 N16 -","4","0.5","BM1074","Narayanan, B.; Bhadbhade, M. M.","Restricting Chelate Ring Flipping in Cu^II^ Complexes. I. Non-Thermochromic Bis(<i>o</i>-phenylenediamine-<i>N</i>,<i>N</i>')copper(II) Bis(tetrafluoroborate)","Acta Crystallographica Section C","1996","52","12","3049","3051","10.1107/S0108270196007354","","","0.71073","MoKα","","0.0628","0.0346","","0.1014","0.0925","","","","0.991","1.168","1.168","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005731","9.625","0.003","20.989","0.003","17.653","0.002","90","","90","","90","","3566.2","1.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H46 N2 O12 Si2 -","- C32 H46 N2 O12 Si2 -","- C128 H184 N8 O48 Si8 -","4","1","BM1085","Wang, Z.-G.; Liu, S.-G.; Wang, D.; Sui, X.-M.","An Optically Active Pentacoordinate Silicate: (+)-Bis(triethylammonium) Bis[(<i>R</i>,<i>R</i>)-tartrato(4‒)]diphenyldisilicate","Acta Crystallographica Section C","1996","52","12","3179","3181","10.1107/S0108270196009432","","","0.71073","MoKα","","","0.049","","","0.064","","","","","2.11","2.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005732","12.443","0.01","13.286","0.009","13.093","0.008","90","","108.37","0.05","90","","2054","3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-[2,2-dimethyl-1,3-propanediylbis(nitrilopropylidyne)]diphenol","","- C23 H30 N2 O2 -","- C23 H30 N2 O2 -","- C92 H120 N8 O8 -","4","1","BM1090","Corden, J. P.; Errington, W.; Moore, P.; Phillips, P. R.; Wallbridge, M. G. H.","Two Schiff Base Ligands Derived from 2,2-Dimethyl-1,3-propanediamine","Acta Crystallographica Section C","1996","52","12","3199","3202","10.1107/S0108270196011134","","","0.71073","MoKα","","0.073","0.0453","","0.1052","0.0985","","","","0.852","1.038","1.038","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005733","10.261","0.009","10.786","0.006","12.425","0.005","99.39","0.06","110.22","0.05","99.35","0.05","1237","1.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,2'-[2,2-dimethyl-1,3-propanediylbis(nitrilophenylmethylidyne)]diphenol","","- C31 H30 N2 O2 -","- C31 H30 N2 O2 -","- C62 H60 N4 O4 -","2","1","BM1090","Corden, J. P.; Errington, W.; Moore, P.; Phillips, P. R.; Wallbridge, M. G. H.","Two Schiff Base Ligands Derived from 2,2-Dimethyl-1,3-propanediamine","Acta Crystallographica Section C","1996","52","12","3199","3202","10.1107/S0108270196011134","","","0.71073","MoKα","","0.0676","0.0514","","0.1402","0.1259","","","","0.95","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005734","5.806","0.001","7.714","0.002","17.081","0.003","90","","90","","90","","765","0.3","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Me-alpha-D lyxopyranoside","Methyl alpha-D lyxopyranoside","","- C6 H12 O5 -","- C6 H12 O5 -","- C24 H48 O20 -","4","1","BM1092","Evdokimov, A. G.; Frolow, F.","Methyl α-<small>D</small>-Lyxopyranoside","Acta Crystallographica Section C","1996","52","12","3218","3219","10.1107/S0108270196009122","","","0.71073","MoKα","","0.0599","0.0577","","0.1502","0.1464","","","","1.073","1.081","1.081","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005735","9.0659","0.0009","10.0897","0.001","10.4858","0.001","109.35","0.011","108.26","0.011","97.64","0.01","828.86","0.18","293","","293","","","","","","","","","5","P -1","-P 1","2","","6-ammonio-1H^+^-1,4,8,11-tetraazacyclotridecane-5,7-dione dichloride methanol solvate","","- C10 H25 Cl2 N5 O3 -","- C10 H25 Cl2 N5 O3 -","- C20 H50 Cl4 N10 O6 -","2","1","BM1095","Mishra, A. K.; Gestin, J. F.; Faivre-Chauvet, A.; Chatal, J. F.; Evain, M.","6-Ammonio-(1<i>H</i>^+^)-1,4,8,11-tetraazacyclotridecane-5,7-dione Dichloride Methanol Solvate: an Amino-Pendant Tetraazacyclotridecane Derivative","Acta Crystallographica Section C","1996","52","12","3100","3102","10.1107/S0108270196009559","","","0.71073","MoKα","","0.04","0.04","","0.052","0.052","","","","1.753","1.753","1.753","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005736","11.911","0.009","15.794","0.008","7.468","0.014","90","","90","","90","","1405","3","153","","153","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H12 N4 S -","- C17 H12 N4 S -","- C68 H48 N16 S4 -","4","1","BM1096","Alves, J. A. C.; Dillon, C. J.; Johnstone, R. A. W.","5-(2-Naphthyl)thio-1-phenyltetrazole: Chemical Reactivity and Electronic Effects of Conjugation through Sulfur","Acta Crystallographica Section C","1996","52","12","3163","3165","10.1107/S0108270196010839","","","0.71073","MoKα","","","0.0594","","","0.0632","","","","","1.746","1.746","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005737","7.7176","0.0016","17.328","0.004","7.8162","0.0015","90","","93.62","0.016","90","","1043.2","0.4","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","9α-fluoro-11β-hydroxy-21-methoxy-16α-methyl-pregna-1,4-diene-3,20,21-trione","","- C23 H29 F O5 -","- C23 H29 F O5 -","- C46 H58 F2 O10 -","2","1","BM1097","Negriolli, J.; Evain, M.; André, F.","A Corticosteroid Ester","Acta Crystallographica Section C","1996","52","12","3102","3104","10.1107/S0108270196009444","","","0.71073","MoKα","","0.059","0.059","","0.059","0.059","","","","1.421","1.421","1.421","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005738","10.806","0.001","21.947","0.004","9.614","0.004","90","","90","","90","","2280","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S),(E)-5-Methoxycarbonyl-2-triphenylmethylaminohex-4-en-4-olide","","- C27 H25 N O4 -","- C27 H25 N O4 -","- C108 H100 N4 O16 -","4","1","BM1098","Nastopoulos, V.; Athanassopoulos, C.; Papaioannou, D.; Gavuzzo, E.","(<i>S</i>),(<i>E</i>)-5-Methoxycarbonyl-2-triphenylmethylaminohex-4-en-4-olide","Acta Crystallographica Section C","1996","52","12","3227","3229","10.1107/S0108270196011158","","","1.5418","CuKα","","0.0406","0.0347","","0.0977","0.0963","","","","1.045","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005739","6.276","0.001","15.232","0.001","16.616","0.002","90","","90","","90","","1588.4","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Z-N-formylnornuciferin","4,5,6a,7-tetrahydro-1,2-dimethoxy-6H-dibenzo[de,g]quinoline-6-carbaldehyde","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C76 H76 N4 O12 -","4","1","BM1101","Simonsen, O.; Singh, S. K.; Wengel, J.; Parmar, V. S.","(<i>Z</i>)-<i>N</i>-Formylnornuciferin Isolated from <i>Piper argyrophylum</i>","Acta Crystallographica Section C","1996","52","12","3195","3196","10.1107/S0108270196010360","","","0.71073","MoKα","","0.095","0.041","","0.03","0.028","","","","2.131","2.484","2.484","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005740","12.454","0.007","11.382","0.008","17.841","0.007","90","","90","","90","","2529","2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-diphenyl-4-imidazoline-2-thione","","- C15 H12 N2 S -","- C15 H12 N2 S -","- C120 H96 N16 S8 -","8","1","BM1103","Cox, P. J.; Sohal, B.; Skellern, G. G.; Love, S. W.; Shankland, N.","1,3-Diphenyl-4-imidazoline-2-thione","Acta Crystallographica Section C","1996","52","12","3152","3154","10.1107/S0108270196010931","","","0.71073","MoKα","","0.0941","0.0492","","0.1075","0.0971","","","","0.82","1.032","1.032","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005741","8.518","0.002","16.514","0.003","17.25","0.003","90","","90","","90","","2426.5","0.8","150","0.2","150","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5R-(2,3,4-Tri-O-acetyl-β-D-xylopyranosyl)-5-(2,3-O-isopropylidene- 1-O-methyl-α-D-lyxo-tetrafuranos-4-yl)-4,5-dihydroisoxazole","","- C22 H31 N O12 -","- C22 H31 N O12 -","- C88 H124 N4 O48 -","4","1","BM1111","Ferguson, W. J.; Parsons, S.; Paton, R. M.","The Major Isoxazoline Cycloadduct from Reaction of a Xylopyranosylnitrile Oxide with a Hex-5-enopyranoside","Acta Crystallographica Section C","1996","52","12","3067","3069","10.1107/S010827019601178X","","","1.54184","CuKα","","0.0827","0.0569","","0.1226","0.1073","","","","1.065","1.076","1.076","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005742","14.8887","0.001","20.4239","0.0013","7.1847","0.0005","90","","100.743","0.002","90","","2146.5","0.2","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl 8-chlorobicyclo[7.1.0]deca-1,8-dien-4-yn-2-carboxylate","","- C12 H11 Cl O2 -","- C12 H11 Cl O2 -","- C96 H88 Cl8 O16 -","8","2","BM1113","Clegg, W.; Al Dulayymi, A. R.; Baird, M. S.","A Strained Cyclononadienyne","Acta Crystallographica Section C","1996","52","12","3219","3222","10.1107/S0108270196012152","","","0.71073","MoKα","","0.0824","0.0454","","0.1133","0.0999","","","","1.02","1.109","1.109","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005743","10.076","0.001","10.076","0.001","6.807","0.001","90","","90","","120","","598.4","0.2","296","2","","","","","","","","","","4","P 63/m","-P 6c","176","","","","- As3 Ca5 Cl O12 -","- As3 Ca5 Cl O12 -","- As6 Ca10 Cl2 O24 -","2","0.166667","","","Chlorapatite: Ca~5~(AsO~4~)~3~Cl","Acta Crystallographica C","1996","52","","2959","2960","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2005744","7.004","0.001","5.374","0.0008","8.691","0.001","90","","110.18","0.01","90","","307.04","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","sodium yttrium diphosphate","","- Na O7 P2 Y -","- Na O7 P2 Y -","- Na2 O14 P4 Y2 -","2","1","BR1148","Hamady, A.; Jouini, T.","NaYP~2~O~7~","Acta Crystallographica Section C","1996","52","12","2949","2951","10.1107/S0108270196009626","","","0.71069","MoKα","","0.0718","0.0425","","0.1023","0.091","","","","1.087","1.159","1.159","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005745","15.555","0.002","7.5692","0.0006","17.362","0.007","90","","90.598","0.014","90","","2044.1","0.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Rubidium Indium Antimonide","Dirubidium phyllo-triantimonododiindate","","- In2 Rb2 Sb3 -","- In2 Rb2 Sb3 -","- In16 Rb16 Sb24 -","8","2","BR1152","Gourdon, O.; Boucher, F.; Gareh, J.; Evain, M.; O'Connor, C.; Jin-Seung, J.","Rubidium Indium Antimonide, Rb~2~In~2~Sb~3~","Acta Crystallographica Section C","1996","52","12","2963","2964","10.1107/S0108270196010104","","","0.56086","AgKα","","0.1039","0.0388","","0.0732","0.0637","","","","0.699","0.874","0.874","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005746","12.632","0.003","13.618","0.002","7.2249","0.0007","90","","90","","90","","1242.8","0.4","292","","292","","","","","","","","","7","P n m a","-P 2ac 2n","62","Gadolinium potassium iron hexacyanide trihydrate","Gadolinium potassium hexacyanoferrate (II) trihydrate","","- C6 H6 Fe Gd K N6 O3 -","- C6 Fe Gd K N6 O3 -","- C24 Fe4 Gd4 K4 N24 O12 -","4","0.5","BR1153","Mullica, D. F.; Ward, J. L.; Sappenfield, E. L.","Gadolinium Potassium Hexacyanoferrate(II) Trihydrate","Acta Crystallographica Section C","1996","52","12","2956","2959","10.1107/S0108270196010840","","","0.71073","MoKα","","0.027","0.023","","0.407","0.043","","","","","1.165","1.165","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005747","13.904","0.002","17.525","0.002","13.406","0.002","90","","95.964","0.006","90","","3248.9","0.8","300","2","300","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Tris(N,N-diethyldithiocarbamato-S,S')nickel(IV) 1,1,2,3,3-pentacyanopropenide","","- C23 H30 N8 Ni S6 -","- C23 H20 N8 Ni S6 -","- C92 H80 N32 Ni4 S24 -","4","1","CF1075","Chen, W.; Li, H.; Zhong, Z.-J.; Zhang, K.; You, X.-Z.","Tris(<i>N</i>,<i>N</i>-diethyldithiocarbamato-<i>S</i>,<i>S</i>')nickel(IV) 1,1,2,3,3-Pentacyanopropenide","Acta Crystallographica Section C","1996","52","12","3030","3033","10.1107/S0108270196009663","","","0.71073","MoKα","","0.0544","0.0443","","0.1063","0.0994","","","","1.083","1.101","1.101","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005748","25.348","0.003","7.8824","0.0007","11.928","0.001","90","","96.8","0.02","90","","2366.5","0.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","C24 H29 O9 Cl","18-chloro,4α-hydroxy derivative of 19-acetylteupolin IV","","- C24 H29 Cl O9 -","- C24 H29 Cl O9 -","- C96 H116 Cl4 O36 -","4","1","CF1084","","An 18-Chloro-4α-hydroxy Derivative of 19-Acetylteupolin IV: a Neo-clerodane Diterpenoid of Biological Interest","Acta Crystallographica C","1996","52","","3157","3159","10.1107/S0108270196009110","","","1.5418","CuKα","","0.0554","0.0522","","0.1322","0.1288","","","","1.016","1.05","1.05","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005749","20.074","0.004","14.331","0.003","23.334","0.005","90","","106.77","0.03","90","","6427","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Bis(hexafluoroacetylacetonato)barium^.^(pentaglyme)","Bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)barium^.^(2,5,8,11,14,17- hexaoxaoctadecane)","","- C22 H28 Ba F12 O10 -","- C22 H28 Ba F12 O10 -","- C176 H224 Ba8 F96 O80 -","8","1","CF1089","Motevalli, M.; O'Brien, P.; Watson, I. M.","Bis(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato)(2,5,8,11,14,17-hexaoxaoctadecane)barium","Acta Crystallographica Section C","1996","52","12","3028","3030","10.1107/S0108270196011122","","","0.71073","MoKα","","0.0455","0.037","","0.1108","0.106","","","","1.07","1.107","1.107","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005750","12.334","0.002","11.742","0.003","13.236","0.002","90","","116.9","0.01","90","","1709.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-(N'-Benzoylimino)-5H-benzimidazo[2,1-b][1,3,5]benzothiadiazepine","","- C21 H14 N4 O S -","- C21 H14 N4 O S -","- C84 H56 N16 O4 S4 -","4","1","CF1101","Song, C. E.; Jin, B. W.; Jeong, J. H.","12-(<i>N</i>-Benzoylimino)-11,12-dihydrobenzimidazo[2,1-<i>b</i>][1,3,5]benzothiadiazepine","Acta Crystallographica Section C","1996","52","12","3131","3133","10.1107/S0108270196009249","","","0.71073","MoKα","","0.0738","0.0613","","0.1126","0.1068","","","","1.148","1.172","1.172","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005751","5.739","0.001","7.621","0.002","36.561","0.005","90","","90","","90","","1599.1","0.6","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 Cl N S -","- C18 H14 Cl N S -","- C72 H56 Cl4 N4 S4 -","4","1","","","(E)-3-(4-Chlorophenyl)-3-cyclopropyl-2-(phenylthio)acrylonitrile","Acta Crystallographica C","1996","52","","2945","2947","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005752","9.841","0.001","21.845","0.002","13.015","0.003","90","0.2","94.43","0.05","90","0.3","2789.6","0.8","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 Cl2 N6 O4 -","- C28 H23 Cl2 N6 O4 -","- C112 H92 Cl8 N24 O16 -","4","1","CF1108","Hasnaoui, A.; El Messaoudi, M.; Lavergne, J. P.; Giorgi, M.; Pierrot, M.","A Strained Tricyclic Product of a Dipolar 1,3-Cycloaddition Reaction of Diazepine","Acta Crystallographica Section C","1996","52","12","3213","3215","10.1107/S0108270196009675","","","0.71073","MoKα","","0.144","0.057","","","0.082","","","","","2.885","2.885","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2005753","9.414","0.001","10.339","0.002","14.675","0.002","90","","102.1","0.02","90","","1396.6","0.4","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","penicillin V benzhydryl ester sulfoxide","diphenylmethyl 3,3-dimethyl- 7-oxo-6-phenoxyacetamido-4-thia-1-azabicylo[3.2.0] heptane-2-carboxylate-4-oxide monohydrate","","- C29 H30 N2 O7 S -","- C29 H30 N2 O7 S -","- C58 H60 N4 O14 S2 -","2","1","CF1116","Yoon, T.-S.; Shin, W.","Penicillin V Benzhydryl Ester Sulfoxide Monohydrate","Acta Crystallographica Section C","1996","52","12","3142","3144","10.1107/S0108270196009250","","","1.5418","CuKα","","0.0479","0.0341","","0.0905","0.0854","","","","1.069","1.077","1.077","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005754","23.896","0.002","10.608","0.004","20.173","0.003","90","","114.218","0.006","90","","4663.6","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 B10 P -","- C20 H25 B10 P -","- C160 H200 B80 P8 -","8","2","CF1123","McWhannell, M. A.; Rosair, G. M.; Welch, A. J.; Teixidor, F.; Viñas, C.","1-Diphenylphosphino-2-phenyl-1,2-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","1996","52","12","3135","3138","10.1107/S0108270196009109","","","0.71073","MoKα","","0.1776","0.0689","","0.181","0.1294","","","","0.988","1.101","1.101","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005755","9.747","0.002","5.747","0.001","18.971","0.004","90","","91.08","0.03","90","","1062.5","0.4","205","2","205","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-Benzyl-1-deoxy-1-(2-furyl)-1-(hydroxiamino)-2,3:4,5-di- O-isopropylidene-L-manno-pentitol","","- C22 H29 N O6 -","- C22 H29 N O6 -","- C44 H58 N2 O12 -","2","1","CF1124","Merino, P.; Junquera, F.; Merchan, F. L.; Tejero, T.","Chiral Hydroxylamines. III. 1-(<i>N</i>-Benzyl-<i>N</i>-hydroxyamino)-1-deoxy-1-(2-furyl)-2,3:4,5-di-<i>O</i>-isopropylidene-<small>L</small>-<i>manno</i>-pentitol","Acta Crystallographica Section C","1996","52","12","3197","3198","10.1107/S0108270196009687","","","0.71073","MoKα","","0.0876","0.0732","","0.1824","0.1696","","","","1.038","1.078","1.078","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005756","7.43","0.001","14.676","0.002","13.406","0.002","90","","91.06","0.01","90","","1461.6","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetracarbonylbis(pyridino)tungsten(0)","","- C14 H10 N2 O4 W -","- C14 H10 N2 O4 W -","- C56 H40 N8 O16 W4 -","4","0.5","CF1125","Holzbock, J.; Sawodny, W.; Grosse, E.; Haseidl, M.; Walz, L.","<i>cis</i>-Tetracarbonyldi(pyridine-<i>N</i>)tungsten(0), [W(CO)~4~(py)~2~]","Acta Crystallographica Section C","1996","52","12","3039","3040","10.1107/S0108270196010128","","","0.71073","MoKα","","0.022","0.0185","","0.0456","0.0447","","","","1.009","1.035","1.035","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005757","11.628","0.002","5.5524","0.0006","23.931","0.003","90","","96.82","0.02","90","","1534.1","0.4","294","1","294","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,4'-Thiodiphenol-piperazine (1/1)","","- C16 H20 N2 O2 S -","- C16 H20 N2 O2 S -","- C64 H80 N8 O8 S4 -","4","0.5","CF1131","Coupar, P. I.; Ferguson, G.; Glidewell, C.","N—H···pi(arene) Hydrogen Bonding in 4,4'-Thiodiphenol-Piperazine (1/1)","Acta Crystallographica Section C","1996","52","12","3055","3057","10.1107/S010827019601013X","","","0.7107","MolybdenumKα","","0.1329","0.0543","","0.1155","0.0994","","","","0.937","1.179","1.179","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005758","17.494","0.003","9.172","0.002","17.388","0.003","90","","116.7","0.1","90","","2492","2","298","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","β-meso (5,7,7,12,12,14-hexamethyl-1,4,8,11-tetraazzcyclo- tetradecane) Nickel(II) Diperchlorate Monohydrate","","- C16 H38 Cl2 N4 Ni O9 -","- C16 H38 Cl2 N4 Ni O9 -","- C64 H152 Cl8 N16 Ni4 O36 -","4","1","DE1023","Wang, A.; Lee, T.-J.; Chen, B.-H.; Yuan, Y.-Z.; Chung, C.-S.","β-<i>meso</i>-(5,7,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) Diperchlorate Monohydrate","Acta Crystallographica Section C","1996","52","12","3033","3035","10.1107/S0108270196010608","","","0.71069","MoKα","","","0.0596","","","0.0581","","","","","1.81","1.81","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2005759","6.06","0.002","7.185","0.003","16.872","0.006","101.44","0.03","91.93","0.03","86.93","0.04","718.8","0.5","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H13 N O3 -","- C19 H13 N O3 -","- C38 H26 N2 O6 -","2","1","DE1029","Raj, S. S. S.; Ponnuswamy, M. N.; Shanmugam, G.; Nanjundan, S.","1-(2-Naphthyl)-3-(4-nitrophenyl)prop-2-en-1-one","Acta Crystallographica Section C","1996","52","12","3145","3146","10.1107/S0108270196009377","","","1.54184","CuKα","","","0.058","","","0.064","","","","","2.16","2.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005760","7.694","0.0001","11.135","0.0001","17.6949","0.0001","90","","101.62","0.01","90","","1484.9","0.06","298","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 N2 O -","- C16 H22 N2 O -","- C64 H88 N8 O4 -","4","1","DE1035","Ganesh, V. K.; Velmurugan, D.; Thiruvalluvar, A.; Parthasarathi, V.; Ramasubbu, N.; Natarajan, D.","1-Methyl-2-phenyldecahydroquinolin-4-one Oxime","Acta Crystallographica Section C","1996","52","12","3177","3179","10.1107/S0108270196009456","","","1.54184","CuKα","","","0.05","","","0.067","","","","","0.95","0.95","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005761","4.6512","0.0016","6.3261","0.0024","7.499","0.003","101.375","0.023","105.923","0.017","101.237","0.019","200.63","0.14","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- Al2 Fe3 Si3 -","- Al2 Fe3 Si3 -","- Al4 Fe6 Si6 -","2","1","DU1157","Yanson, T. I.; Manyako, M. B.; Bodak, O. I.; German, N. V.; Zarechnyuk, O. S.; Cerný, R.; Pacheco, J. V.; Yvon, K.","Triclinic Fe~3~Al~2~Si~3~ and Orthorhombic Fe~3~Al~2~Si~4~ with New Structure Types","Acta Crystallographica Section C","1996","52","12","2964","2967","10.1107/S0108270196008694","","","0.71073","x-ray","","0.068","0.056","","0.031","0.031","","","","1.217","1.27","1.27","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005762","3.6687","0.0015","12.385","0.007","10.147","0.005","90","","90","","90","","461","0.4","293","","293","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al2 Fe3 Si4 -","- Al2 Fe3 Si4 -","- Al8 Fe12 Si16 -","4","0.25","DU1157","Yanson, T. I.; Manyako, M. B.; Bodak, O. I.; German, N. V.; Zarechnyuk, O. S.; Cerný, R.; Pacheco, J. V.; Yvon, K.","Triclinic Fe~3~Al~2~Si~3~ and Orthorhombic Fe~3~Al~2~Si~4~ with New Structure Types","Acta Crystallographica Section C","1996","52","12","2964","2967","10.1107/S0108270196008694","","","0.71073","x-ray","","0.065","0.061","","0.039","0.039","","","","1.638","1.685","1.685","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005763","8.648","0.002","8.8428","0.0007","12.316","0.002","90","","90.13","0.02","90","","941.8","0.3","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- In1.5 Li2 Nb0.5 O12 P3 -","- In1.34 Li2 Nb0.66 O12 P3 -","- In5.36 Li8 Nb2.64 O48 P12 -","4","1","DU1158","Cieren, X.; Jaulmes, S.; Angenault, J.; Couturier, J. C.; Quarton, M.","La Phase Monoclinique Li~2~Nb~0,5~In~1,5~(PO~4~)~3~","Acta Crystallographica Section C","1996","52","12","2967","2969","10.1107/S0108270196008153","","","0.71069","MoKα","","","0.0527","","","0.0525","","","","","25.9","25.9","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2005764","24.904","0.005","6.029","0.0012","5.164","0.001","90","","90","","90","","775.4","0.3","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Bromo-2H-1,3-Benzoxazine-2,4(1H)-dione","","- C8 H4 Br N O3 -","- C8 H4 Br N O3 -","- C32 H16 Br4 N4 O12 -","4","1","DU1159","Lubini, P.; Wouters, J.","6-Bromo-2<i>H</i>-3,1-benzoxazine-2,4(1<i>H</i>)-dione at 153K","Acta Crystallographica Section C","1996","52","12","3108","3110","10.1107/S0108270196008888","","","0.71073","MoKα","","0.0625","0.0559","","0.1424","0.1343","","","","1.026","1.02","1.02","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2005765","17.479","0.004","8.929","0.002","11.959","0.003","90","","113.1","0.2","90","","1717","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Molybdenyl diarseniate de potassium","","- As4 K2 Mo3 O20 -","- As4 K2 Mo3 O20 -","- As16 K8 Mo12 O80 -","4","0.5","DU1162","Zid, M. F.; Jouini, T.","K~2~MoO~2~(MoO~2~As~2~O~7~)~2~","Acta Crystallographica Section C","1996","52","12","2947","2949","10.1107/S0108270196008700","","","0.71069","MoKα","","0.0436","0.0303","","0.0744","0.067","","","","1.106","1.108","1.108","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005766","4.8366","0.0007","12.539","0.0009","9.3207","0.0009","90","","93.03","0.01","90","","564.47","0.11","296","","296","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","sym-Hexahydropyrene","","","- C16 H16 -","- C16 H16 -","- C32 H32 -","2","0.5","FG1217","A. J. Dobson; R. E. Gerkin","<i>sym</i>-Hexahydropyrene","Acta Crystallographica Section C","1996","52","12","3086","3088","10.1107/S0108270196010013","","","0.71073","MoKα","","","0.035","","","0.047","","","","","2.04","2.04","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005767","16.094","0.001","16.094","0.001","6.717","0.001","90","","90","","120","","1506.7","0.3","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","Chlorotris(m-methoxyphenyl)Tin(IV)","Chlorotris(m-methoxyphenyl)Tin(IV)","","- C21 H21 Cl O3 Sn -","- C21 H21 Cl O3 Sn -","- C63 H63 Cl3 O9 Sn3 -","3","0.333333","FG1223","Wharf, I.; Lebuis, A.-M.","Chlorotris(<i>m</i>-methoxyphenyl)tin(IV)","Acta Crystallographica Section C","1996","52","12","3025","3027","10.1107/S0108270196012115","","","0.7093","MoKα","","0.0246","0.0244","","0.0522","0.0521","","","","1.049","1.048","1.048","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005768","8.1693","0.0005","21.7076","0.0012","8.375","0.0008","90","","96.515","0.009","90","","1475.6","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(±)-1,11-dimethyl-3,9-dinitro-5,7-dihydrodibenz[c,e]oxepin","","- C16 H14 N2 O5 -","- C16 H14 N2 O5 -","- C64 H56 N8 O20 -","4","1","FG1226","Roszak, A. W.; Williams, V. E.; Lemieux, R. P.","(±)-1,11-Dimethyl-3,9-dinitro-5,7-dihydrodibenz[<i>c</i>,<i>e</i>]oxepine","Acta Crystallographica Section C","1996","52","12","3190","3193","10.1107/S0108270196011900","","","1.54178","CuKα","","0.073","0.0498","","0.1691","0.1419","","","","1.116","1.172","1.172","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005769","6.4957","0.0006","24.723","0.002","5.1393","0.0004","90","","90","","90","","825.34","0.12","294","","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H7 N3 O2 -","- C8 H7 N3 O2 -","- C32 H28 N12 O8 -","4","1","FG1227","Davidson, J. S.; Trotter, J.","5-(2-Aminophenyl)-1,3,4-oxadiazol-2(3<i>H</i>)-one","Acta Crystallographica Section C","1996","52","12","3236","3238","10.1107/S0108270196011912","","","1.5418","CuKα","","0.055","0.031","","0.049","0.041","","","","1.6","1.51","1.51","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005770","11.963","0.001","11.963","0.001","15.282","0.002","90","","90","","90","","2187.1","0.4","296","","296","","","","","","","","","4","I 41 c d","I 4bw -2c","110","γ-aminobutyric acid","4-aminobutanoic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","1","FR1001","Dobson, A. J.; Gerkin, R. E.","γ-Aminobutyric Acid: a Novel Tetragonal Phase","Acta Crystallographica Section C","1996","52","12","3075","3078","10.1107/S0108270196010001","","","0.71073","MoKα","","","0.033","","","0.037","","","","","1.46","1.46","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005771","15.962","0.002","5.218","0.002","9.613","0.002","90","","90","","90","","800.7","0.4","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2-acetylbenzoic acid, phthalide form","","","- C9 H8 O3 -","- C9 H8 O3 -","- C36 H32 O12 -","4","1","FR1004","Dobson, A. J.; Gerkin, R. E.","2-Acetylbenzoic Acid: Phthalide Form","Acta Crystallographica Section C","1996","52","12","3078","3081","10.1107/S0108270196010414","","","0.71073","MoKα","","","0.027","","","0.034","","","","","1.4","1.4","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005772","11.342","0.001","5.517","0.001","13.823","0.001","90","","106.39","0.01","90","","829.81","0.18","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","coumarin-3-carboxylic acid","","","- C10 H6 O4 -","- C10 H6 O4 -","- C40 H24 O16 -","4","1","FR1005","Dobson, A. J.; Gerkin, R. E.","Coumarin-3-carboxylic Acid","Acta Crystallographica Section C","1996","52","12","3081","3083","10.1107/S0108270196010852","","","0.71073","MoKα","","","0.037","","","0.045","","","","","1.5","1.5","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005773","7.46","0.001","17.118","0.003","20.707","0.003","90","","90","","90","","2644.3","0.7","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Pregnenolone-4-allyloxybenzoate","Pregn-5-en-20-one-3-yl_4-allyloxybenzoate","","- C31 H40 O4 -","- C31 H40 O4 -","- C124 H160 O16 -","4","1","HA1161","Tomlin, D. W.; Bunning, T. J.; McHugh, C. M.; Adams, W. W.","Oxopregnenyl 4-Allyloxybenzoate","Acta Crystallographica Section C","1996","52","12","3181","3183","10.1107/S0108270196005562","","","0.71073","MoKα","","","0.079","","","0.053","","","","","2.473","2.473","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005774","33.01","0.03","7.915","0.004","7.096","0.004","90","","90","","90","","1854","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-5,6-Dimethoxy-1,2,3,4-tetrahydro-2-naphthalenamine (S)-mandelic acid salt","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C80 H100 N4 O20 -","4","1","HA1167","Fantucci, M.; Montanari, S.; Santangelo, F.; Ianelli, S.; Nardelli, M.","(<i>S</i>)-5,6-Dimethoxy-1,2,3,4-tetrahydro-2-naphthalenamine‒ <small>L</small>-(+)-Mandelic Acid (1/1): the Absolute Configuration of a Precursor of the Active Stereoisomer of 5,6-ADTN, an Important Dopaminergic Agonist","Acta Crystallographica Section C","1996","52","12","3147","3150","10.1107/S0108270196009614","","","1.54178","CuKα","","0.072","0.0302","","0.0768","0.0602","","","","1.027","1.099","1.099","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005775","10.246","0.003","16.104","0.005","10.462","0.005","90","","106.94","0.02","90","","1651.3","1.1","150","0.2","150","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O2 S3 -","- C16 H18 N2 O2 S3 -","- C64 H72 N8 O8 S12 -","4","1","HA1177","Blake, A. J.; Danks, J. P.; Parsons, S.; Schröder, M.","4,7-Bis(2-thiophenoyl)-1-thia-4,7-diazacyclononane","Acta Crystallographica Section C","1996","52","12","3062","3064","10.1107/S0108270196012012","","","0.71073","MoKα","","0.0445","0.0317","","0.0895","0.0746","","","","1.073","1.059","1.059","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005776","7.189","0.001","7.744","0.002","9.331","0.002","90","0.02","110.32","0.04","90","0.03","487.1","0.2","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Li Ni1.5 O7 P2 -","- Li Ni1.5 O7 P2 -","- Li4 Ni6 O28 P8 -","4","1","JZ1112","Rissouli, K.; Benkhouja, K.; Sadel, A.; Bettach, M.; Zahir, M.; Giorgi, M.; Pierrot, M.","A Mixed Nickel‒Lithium Pyrophosphate, LiNi~1.5~P~2~O~7~","Acta Crystallographica Section C","1996","52","12","2960","2963","10.1107/S0108270196002739","","","0.71073","MoKα","","0.03","0.028","","","0.04","","","","","1.521","1.521","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005777","13.885","0.001","13.885","0.001","26.207","0.003","90","","90","","90","","5052.5","0.8","295","","295","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H30 Cd I4 S2 -","- C12 Cd I4 S2 -","- C96 Cd8 I32 S16 -","8","0.5","JZ1124","Bengtsson-Kloo, L.; Berglund, J.; Stegemann, H.; Svensson, C.; Svensson, P. H.","Bis(triethylsulfonium) Tetraiodocadmate(II)","Acta Crystallographica Section C","1996","52","12","3045","3047","10.1107/S0108270196006956","","","0.7107","MoKα","","","0.0486","","","0.0525","","","","","1.702","1.702","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2005778","11.916","0.002","9.2894","0.0013","12.835","0.002","90","","117.607","0.011","90","","1259","0.4","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-amino-1,3-dimethyl-5-(3-penten-2-one-4-yl)-aminouracil","","- C11 H16 N4 O3 -","- C11 H16 N4 O3 -","- C44 H64 N16 O12 -","4","1","JZ1155","Jimenez-Pulido, S. B.; Low, J. N.; Ferguson, G.; Moreno-Carretero, M. N.; Hueso-Ureña, F.","6-Amino-1,3-dimethyl-5-(4-oxo-2-penten-2-yl)aminouracil","Acta Crystallographica Section C","1996","52","12","3110","3112","10.1107/S0108270196010773","","","0.7107","MolybdenumKα","","0.1272","0.0477","","0.1361","0.1164","","","","0.929","1.216","1.216","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005779","6.284","0.001","23.51","0.001","9.033","0.001","90","","101.7","0.01","90","","1306.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetra(2-pyridinium)pyrazine-tetrachloride-dihydrate","","- C24 H24 Cl4 N6 O2 -","- C24 H24 Cl4 N6 O2 -","- C48 H48 Cl8 N12 O4 -","2","0.5","JZ1156","Graf, M.; Stoeckli-Evans, H.","Tetraprotonated Tetra(2-pyridyl)pyrazine: Pyrazine-2,3,5,6-tetra(2-pyridinium) Tetrachloride Dihydrate","Acta Crystallographica Section C","1996","52","12","3073","3075","10.1107/S0108270196010943","","","0.71073","MoKα","","0.0505","0.0323","","0.0955","0.08","","","","1.108","1.075","1.075","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005780","7.939","0.002","7.713","0.003","25.291","0.006","90","","90","","90","","1548.7","0.8","100","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","KA1169","Mahler, C. H.; Stevens, E. D.; Trudell, M. L.; Nolan, S. P.","({-})-Thebaine","Acta Crystallographica Section C","1996","52","12","3193","3195","10.1107/S0108270196005392","","","0.71073","Mo-Kα","","","0.042","","","0.054","","","","","1.874","1.874","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2005781","9.4429","0.0006","11.3908","0.0008","21.123","0.002","90","0.007","90","0.008","90","0.005","2272","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,5S,1'S)-3-benzyl-5-[1'-(tert-butoxycarbonylamino)- -2'-phenylethyl]-4,5-dihydrofuran-2(3H)-one","","- C24 H29 N O4 -","- C24 H29 N O4 -","- C96 H116 N4 O16 -","4","1","KA1190","Sopková, J.; Vojtísek, P.; Litera, J.; Soucek, M.","(3<i>S</i>,5<i>S</i>,1'<i>S</i>)-3-Benzyl-5-[1'-(<i>tert</i>-butoxycarbonylamino)-2'-phenylethyl]-4,5-dihydrofuran-2(3<i>H</i>)-one","Acta Crystallographica Section C","1996","52","12","3165","3167","10.1107/S0108270196009754","","","0.71073","MoKα","","0.0709","0.0325","","0.0876","0.0744","","","","1.045","1.105","1.105","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005782","5.202","0.001","16.329","0.005","9.745","0.007","90","","98.33","0.04","90","","819","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Zearalenone","","- C18 H22 O5 -","- C18 H22 O5 -","- C36 H44 O10 -","2","1","KA1200","Panneerselvam, K.; Rudiño-Piñera, E.; Soriano-García, M.","3,4,5,6,9,10-Hexahydro-14,16-dihydroxy-3-methyl-1<i>H</i>-2-benzoxacyclotetradecin-1,7(8<i>H</i>)-dione (Zearalenone)","Acta Crystallographica Section C","1996","52","12","3095","3097","10.1107/S0108270196011055","","","1.54178","CuKα","","0.0653","0.0503","","0.0852","0.08","","","","1.166","1.287","1.287","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005783","11.929","0.003","9.357","0.003","10.434","0.003","90","","113.32","0.02","90","","1069.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N-bis-(4-methoxybenziliden)ethylendiamine:Hydroquinone (1:1)","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C48 H52 N4 O8 -","2","0.5","KA1210","Panneerselvam, K.; Soriano-García, M.; Reyes-Arellano, A.; Tamariz-Mascarúa, J.; Mendoza-Sánchez, R. I.","The 1:1 Molecular Complex of <i>N</i>,<i>N</i>'-Bis(4-methoxybenzylidene)ethylenediamine and Hydroquinone","Acta Crystallographica Section C","1996","52","12","3098","3100","10.1107/S0108270196011067","","","1.54178","CuKα","","0.0393","0.035","","0.0952","0.0904","","","","1.098","1.109","1.109","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005784","10.739","0.003","15.452","0.005","14.522","0.005","90","","109.59","0.03","90","","2270.3","1.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4,5-dihydroxy-1-nitro-anthraquinone","4,5-dihydroxy-1-nitro-9,10-anthracenedione","","- C14 H7 N O6 -","- C14 H7 N O6 -","- C112 H56 N8 O48 -","8","2","KA1211","Yatsenko, A. V.; Paseshnichenko, K. A.; Popov, S. I.","4,5-Dihydroxy-1-nitroanthracene-9,10-dione","Acta Crystallographica Section C","1996","52","12","3258","3260","10.1107/S0108270196011754","","","0.71073","MoKα","","0.0839","0.044","","0.1204","0.1065","","","","0.912","1.111","1.111","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005785","17.5555","0.0011","7.3717","0.0007","26.736","0.002","90","","90","","90","","3460","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(Z)-2-acetoxy-3,3',4'-trimethoxystilbene","","- C19 H20 O5 -","- C19 H20 O5 -","- C152 H160 O40 -","8","1","KA1212","Li, S.; Lundquist, K.; Stomberg, R.","(<i>Z</i>)-2-Acetoxy-3,3',4'-trimethoxystilbene","Acta Crystallographica Section C","1996","52","12","3118","3121","10.1107/S0108270196011079","","","0.71069","MoKα","","0.1793","0.0474","","0.1629","0.1035","","","","1","1.081","1.081","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2005786","10.477","0.002","6.953","0.001","19.865","0.003","90","","99.55","0.02","90","","1427","0.4","294","","294","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3-diphenyl-1,2,4-benzotriazin-4(1H)-yl","","- C19 H14 N3 -","- C19 H14 N3 -","- C76 H56 N12 -","4","1","KA1215","Krieger, C.; Neugebauer, F. A.","Columnar Stacking of 1,3-Diphenyl-1,2,4-benzotriazin-4(1<i>H</i>)-yl Radicals","Acta Crystallographica Section C","1996","52","12","3124","3126","10.1107/S0108270196011092","","","0.71073","MoKα","","0.041","0.057","","","0.05","","","","","2.187","2.187","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005787","14.79","0.002","8.562","0.0012","14.38","0.003","90","","98.853","0.0013","90","","1799.3","0.5","298","","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","ethyl 2-fluoro-2(p-toluoyl)-3-oxo-3-(p-tolyl)propanoate","","- C20 H19 F O4 -","- C20 H19 F O4 -","- C80 H76 F4 O16 -","4","1","KH1096","Kim, M.-J.; Shin, J.-C.; Lee, J.-H.; Rhie, D.-Y.; Kim, D.-Y.; Suh, I.-H.; Choi, S.-S.; Jensen, W. P.; Lewis, D. E.","Ethyl 2-Fluoro-3-oxo-2-(<i>p</i>-toluoyl)-3-(<i>p</i>-tolyl)propanoate, C~20~H~19~O~4~F","Acta Crystallographica Section C","1996","52","12","3127","3128","10.1107/S0108270196011250","","","0.71069","MoKα","","0.146","0.0675","","0.1321","0.1092","","","","0.984","1.227","1.227","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005788","10.529","0.002","10.9805","0.0014","18.362","0.004","90","","99.72","0.02","90","","2092.4","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 N2 -","- C23 H30 N2 -","- C92 H120 N8 -","4","1","KH1109","Lin, K.-J.; Wu, J.-Y.; Chen, C.-T.","<i>meso</i>-(3,5-Di-<i>tert</i>-butylphenyl)-2,2'-dipyrromethane","Acta Crystallographica Section C","1996","52","12","3114","3116","10.1107/S0108270196010542","","","0.71073","MoKα","","0.0713","0.0434","","0.1495","0.1304","","","","0.921","0.999","0.999","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005789","8.526","0.001","13.857","0.001","18.519","0.001","90","","90","","90","","2187.9","0.3","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","rac. Cyclododeca-2.8-diyne-1.10-diole","","- C12 H16 O2 -","- C12 H16 O2 -","- C96 H128 O16 -","8","1","KH1110","Boss, C.; Stoeckli-Evans, H.; Keese, R.","The First Crystal Structure Analysis of Cyclododeca-2,8-diyne-1,10-diols","Acta Crystallographica Section C","1996","52","12","3069","3073","10.1107/S0108270196009080","","","0.71073","MoKα","","0.1054","0.0444","","0.0929","0.0783","","","","0.882","1.044","1.044","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005790","8.115","0.002","10.4765","0.0011","15.093","0.004","90","","94.59","0.03","90","","1279","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","rac. 1,10-dimethyl-cyclododeca-2,8-diyne-1,10-diol","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","KH1110","Boss, C.; Stoeckli-Evans, H.; Keese, R.","The First Crystal Structure Analysis of Cyclododeca-2,8-diyne-1,10-diols","Acta Crystallographica Section C","1996","52","12","3069","3073","10.1107/S0108270196009080","","","0.71073","MoKα","","0.0567","0.0515","","0.1094","0.1053","","","","1.215","1.221","1.221","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005791","6.699","0.0015","9.3743","0.0003","12.892","0.004","90","","90","","90","","809.6","0.3","293","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4,4-dimethylcycohexan-1.3-dione","","- C8 H12 O2 -","- C8 H12.624 O2 -","- C32 H50.496 O8 -","4","1","LI1150","Barnes, J. C.","Hydrogen Bonding in 4,4-Dimethylcyclohexane-1,3-dione and 2,5,5-Trimethylcyclohexane-1,3-dione Monohydrate","Acta Crystallographica Section C","1996","52","12","3159","3162","10.1107/S0108270196008980","","","0.71069","MoKα","","0.0557","0.0387","","0.0986","0.0873","","","","0.564","0.637","0.637","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005792","5.863","0.01","13.558","0.01","11.225","0.008","90","","97.8","0.1","90","","884","1.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,5,5-trimethylcyclohexan-1,3-dione monohydrate","","- C9 H16 O3 -","- C9 H16 O3 -","- C36 H64 O12 -","4","1","LI1150","Barnes, J. C.","Hydrogen Bonding in 4,4-Dimethylcyclohexane-1,3-dione and 2,5,5-Trimethylcyclohexane-1,3-dione Monohydrate","Acta Crystallographica Section C","1996","52","12","3159","3162","10.1107/S0108270196008980","","","0.71069","MoKα","","0.085","0.0652","","0.1823","0.1644","","","","1.266","1.392","1.392","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005793","9.448","0.003","9.918","0.003","15.173","0.005","107.85","0.02","93.67","0.02","104.74","0.02","1293.1","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Bis(dicyanamide)tetrakis(4-methylimidazole) nickel(II) complex, C~20~H~24~N~14~Ni~1~","","- C20 H24 N14 Ni -","- C20 H24 N14 Ni -","- C40 H48 N28 Ni2 -","2","1","MU1201","Kožíšek, J.; Paulus, H.; Danková, M.; Hvastijová, M.","<i>trans</i>-Bis(dicyanamido-<i>N</i>)tetrakis(4-methylimidazole-<i>N</i>^1^)nickel(II)","Acta Crystallographica Section C","1996","52","12","3019","3020","10.1107/S0108270196010311","","","0.71069","MoKα","","0.0584","0.037","","0.1118","0.0872","","","","1.113","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005794","15.181","0.002","9.911","0.001","19.114","0.004","90","","93.64","0.01","90","","2870.1","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(1.8-bis(2-hydroxyethyl)-1,3,6,8,10,13-hexaazacyclotetradecane) nickel(II)Bis(maleonitriledithiolate)nickelate(II)","","- C20 H30 N10 Ni2 O2 S4 -","- C20 H30 N10 Ni2 O2 S4 -","- C80 H120 N40 Ni8 O8 S16 -","4","0.5","MU1259","Shan, B.-Z.; You, X.-Z.; Fun, H.-K.; Sivakumar, K.","[1,8-Bis(2-hydroxyethyl)-1,3,6,8,10,13-hexaazacyclotetradecane]nickel(II) Bis(maleonitriledithiolato)nickelate(II)","Acta Crystallographica Section C","1996","52","12","3035","3037","10.1107/S0108270196009389","","","0.71073","MoKα","","0.0395","0.033","","0.0993","0.0932","","","","1.059","1.084","1.084","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005795","21.86","0.02","12.48","0.02","11.047","0.008","90","","90","","90","","3014","6","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-methyl-4-methylamino-3,5-diphenyl-1,2,4,3,5-triazadiborole","","- C14 H18 B2 N4 -","- C14 H18 B2 N4 -","- C112 H144 B16 N32 -","8","1","MU1263","Engelhardt, U.; Park, S. S.","An Inorganic <i>N</i>-Amino Analogue of Pyrrole: a Five-Membered Ring with Methylhydrazine and Two B Atoms as Building Blocks","Acta Crystallographica Section C","1996","52","12","3248","3250","10.1107/S0108270196010232","","","0.71069","MoKα","","0.035","0.08","","0.197","0.03","","","","1.38","1.99","1.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005796","9.842","0.004","15.775","0.002","7.382","0.001","100.04","0.01","95.75","0.02","79.02","0.02","1105.2","0.5","293","5","293","3","","","","","","","","5","P -1","-P 1","2","","3,7-bis(dimethylamino)-(N-carboxymethyl)phenothiazine-10-carboxamide","","- C21 H28 N4 O4 S -","- C21 H28 N4 O4 S -","- C42 H56 N8 O8 S2 -","2","1","MU1269","Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.","10-(<i>N</i>-Carboxymethylcarbamoyl)-3,7-bis(dimethylamino)phenothiazine (CCAP)‒Ethanol (1/1), C~19~H~22~N~4~O~3~S.C~2~H~6~O","Acta Crystallographica Section C","1996","52","12","3140","3142","10.1107/S0108270196010244","","","1.5418","CuKα","","","0.065","","","0.087","","","","","2.76","2.76","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005797","9.027","0.005","10.945","0.005","10.913","0.005","112.79","0.005","99.24","0.005","109.72","0.005","881.5","0.8","150","0.2","150","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 N2 O7 -","- C19 H18 N2 O7 -","- C38 H36 N4 O14 -","2","1","MU1270","Despinoy, X. L. M.; McNab, H.; Parsons, S.","An Unusual 3<i>H</i>-Pyrrole at 150K","Acta Crystallographica Section C","1996","52","12","3064","3067","10.1107/S0108270196010256","","","0.71073","MoKα","","0.1159","0.0698","","0.2021","0.1665","","","","1.024","1.09","1.09","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005798","6.246","0.003","7.187","0.004","31.334","0.002","90","","90","","90","","1406.6","1","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C56 H48 Cl4 N4 O8 -","4","1","MU1276","Kevran, S.; Elmali, A.; Elerman, Y.","5-Chloro-2-[(2-hydroxybenzylidene)aminomethyl]phenol","Acta Crystallographica Section C","1996","52","12","3256","3258","10.1107/S0108270196010268","","","0.71069","MoKα","","0.0418","0.0402","","0.0969","0.0958","","","","1.111","1.159","1.159","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005799","7.4614","0.0004","16.5571","0.0013","20.6129","0.0014","90","","90","","90","","2546.5","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","o-cyanophenol","o-Cyanophenol","","- C7 H5 N O -","- C7 H5 N O -","- C112 H80 N16 O16 -","16","2","MU1277","Beswick, C.; Kubicki, M.; Codding, P. W.","<i>o</i>-Cyanophenol","Acta Crystallographica Section C","1996","52","12","3171","3173","10.1107/S0108270196009419","","","1.54178","CuKα","","0.053","0.0401","","0.1033","0.0965","","","","1.059","1.154","1.154","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005800","15.789","0.013","8.139","0.01","10.719","0.007","90","","90","","90","","1377","2","193","1","193","1","","","","","","","","6","P n a 21","P 2c -2n","33","2-Anilidopyridinetungstenoxotrichloride","trichloro-2-(phenylamido)pyridineoxotungsten","","- C11 H9 Cl3 N2 O W -","- C11 H9 Cl3 N2 O W -","- C44 H36 Cl12 N8 O4 W4 -","4","1","MU1278","Polamo, M.","<i>mer</i>-Trichloro[2-(phenylamino)pyridinato]oxotungsten(VI)","Acta Crystallographica Section C","1996","52","12","2980","2982","10.1107/S010827019601027X","","","0.71073","MoKα","","0.0351","0.0295","","0.0753","0.0735","","","","1.04","1.064","1.064","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005801","22.37","0.003","5.692","0.001","9.39","0.002","90","","90","","90","","1195.6","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (1R,2R)-1-cyano-2-[(S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane- 1-carboxylate","","- C11 H15 N O4 -","- C11 H15 N O4 -","- C44 H60 N4 O16 -","4","1","MU1282","Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.; Jiménez, A. I.; López, M. P.","Methyl (1<i>R</i>,2<i>R</i>)- and (1<i>S</i>,2<i>S</i>)-1-Cyano-2-[(<i>S</i>)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate","Acta Crystallographica Section C","1996","52","12","3210","3213","10.1107/S0108270196010281","","","0.71073","MoKα","","0.0496","0.0424","","0.1156","0.1083","","","","1.036","1.046","1.046","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005802","5.911","0.001","9.445","0.002","22.051","0.004","90","","90","","90","","1231.1","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (1S,2S)-1-cyano-2-[(S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane- 1-carboxylate","","- C11 H15 N O4 -","- C11 H15 N O4 -","- C44 H60 N4 O16 -","4","1","MU1282","Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.; Jiménez, A. I.; López, M. P.","Methyl (1<i>R</i>,2<i>R</i>)- and (1<i>S</i>,2<i>S</i>)-1-Cyano-2-[(<i>S</i>)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate","Acta Crystallographica Section C","1996","52","12","3210","3213","10.1107/S0108270196010281","","","0.71073","MoKα","","0.104","0.0675","","0.1897","0.1594","","","","1.021","1.078","1.078","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005803","11.936","0.002","20.053","0.003","12.306","0.003","90","","93.48","0.01","90","","2940","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ-thiobenzoato-O,S)bis(triphenylphosphineoxide-O)dimolybdenum(II)","","- C64 H50 Mo2 O6 P2 S4 -","- C64 H50 Mo2 O6 P2 S4 -","- C128 H100 Mo4 O12 P4 S8 -","2","0.5","MU1284","Cindrić, M.; Vrdoljak, V.; Matković-Čalogović, D.; Kamenar, B.","A 1:2 Adduct of Tetrakis(μ-thiobenzoato-<i>O</i>,<i>S</i>)dimolybdenum(II)(<i>Mo{—</i>Mo}) with Triphenylphosphine Oxide, [Mo~2~(C~7~H~5~OS)~4~].2[(C~6~H~5~)~3~OP]","Acta Crystallographica Section C","1996","52","12","3016","3018","10.1107/S0108270196010293","","","0.71073","MoKα","","0.1239","0.0494","","0.1144","0.0933","","","","0.974","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005804","9.821","0.004","11.855","0.005","32.703","0.005","90","","93.97","0.03","90","","3798","2","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","chloro(η^6^-p-cymene)[1-(dimethylphosphino-κP)-2-(methylthio-κS)ethane]- ruthenium(II) tetraphenylborate hemidichloromethane solvate","","- C39.5 H48 B Cl2 P Ru S -","- C39.5 H48 B Cl2 P Ru S -","- C158 H192 B4 Cl8 P4 Ru4 S4 -","4","1","MU1286","Suzuki, T.; Taguchi, N.; Kashiwabara, K.","Ruthenium(II) Complex Containing a New Hybrid Bidentate Phosphine‒Thioether Ligand: [(<i>p</i>-Cymene)RuCl(Me~2~PCH~2~CH~2~SMe)][BPh~4~].0.5CH~2~Cl~2~","Acta Crystallographica Section C","1996","52","12","2982","2984","10.1107/S010827019601030X","","","0.71073","MoKα","","","0.056","","","0.056","","","","","1.62","1.62","","","","","has coordinates,has disorder","202198","2020-10-21","18:00:00",""
"2005805","9.58","0.015","9.652","0.012","14.625","0.019","94.18","0.13","90.27","0.15","118.44","0.09","1185","3","193","1","193","1","","","","","","","","5","P -1","-P 1","2","2-(Phenylamino)pyridinium tetrachloro-2-(phenylamido)pyridinetitanate(IV)","2-(Phenylamino)pyridinium tetrachloro(2-phenylaminopyridinato)titanate(IV)","","- C22 H20 Cl4 N4 Ti -","- C22 H20 Cl4 N4 Ti -","- C44 H40 Cl8 N8 Ti2 -","2","1","MU1287","Polamo, M.; Leskelä, M.","Tetrachloro[2-(phenylamino)pyridinato]titanate(IV) with a 2-(Phenylamino)pyridinium Counterion","Acta Crystallographica Section C","1996","52","12","2975","2977","10.1107/S0108270196010347","","","0.71073","MoKα","","0.1002","0.0667","","0.1359","0.1248","","","","1.053","1.177","1.177","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005806","5.113","0.002","8.279","0.002","14.86","0.005","93.01","0.02","96.27","0.03","99.87","0.03","614.4","0.4","292","","292","","","","","","","","","4","P 1","P 1","1","","L-Argininium squarate","","- C10 H16 N4 O6 -","- C10 H16 N4 O6 -","- C20 H32 N8 O12 -","2","2","NA1228","Angelova, O.; Velikova, V.; Kolev, T.; Radomirska, V.","Crystalline Complexes Involving Amino Acids. I. <small>L</small>-Argininium Hydrogen Squarate","Acta Crystallographica Section C","1996","52","12","3252","3256","10.1107/S0108270196010219","","","0.71073","MoKα","","0.055","0.039","","0.052","0.052","","","","1.011","1.026","1.026","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2005807","9.42","0.001","20.13","0.003","18.887","0.003","90","","95.1","0.01","90","","3567.3","0.9","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(5'-oxo-3'-phenylpyrazonyl)-3-phenylpyrazol-5-ones","","- C46 H38 N4 O2 -","- C46 H38 N4 O2 -","- C184 H152 N16 O8 -","4","1","NA1248","Bruno, G.; Grassi, G.; Nicoló, F.; Risitano, F.; Scopelliti, R.","4-[5'-Oxo-1',3'-diphenyl-4'-(<i>p</i>-tolylmethyl)]-1,3-diphenyl-4-(<i>p</i>-tolylmethyl)pyrazol-5-one: Product of a Reductive Dimerization Reaction","Acta Crystallographica Section C","1996","52","12","3129","3131","10.1107/S010827019600916X","","","0.71073","MoKα","","","0.0618","","","0.0716","","","","","1.84","1.84","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005808","6.68","0.001","13.996","0.002","10.816","0.001","90","","104.22","0.01","90","","980.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","diμ-chloro bis-diethylene triamine dicopper(II) dinitrate","","- C4 H13 Cl Cu N4 O3 -","- C4 H13 Cl Cu N4 O3 -","- C16 H52 Cl4 Cu4 N16 O12 -","4","1","NA1250","Urtiaga, M. K.; Arriortua, M. I.; Cortés, R.; Rojo, T.","Di-μ-chloro-bis[(diethylenetriamine)copper(II)] Dinitrate","Acta Crystallographica Section C","1996","52","12","3007","3009","10.1107/S010827019600978X","","","0.7107","MoKα","","0.0368","0.0222","","0.0737","0.0621","","","","0.651","0.602","0.602","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005809","3.846","0.001","25.673","0.002","13.992","0.001","90","","96.36","0.01","90","","1373","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","5-methoxy-1,4-benzoquinone-4-oxime","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C56 H56 N8 O24 -","8","2","NA1253","Sardone, N.; Carugo, O.; Charalambous, J.; Raghvani, D. V.","3-Methoxy-1,4-benzoquinone 4-Oxime","Acta Crystallographica Section C","1996","52","12","3202","3204","10.1107/S0108270196009171","","","1.54184","CuKα","","0.05","0.038","","","0.034","","","","","0.627","0.627","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005810","23.953","0.003","22.097","0.003","11.477","0.004","90","","90","","90","","6075","2","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(3R^*^,4S^*^)-3-Hexyl-3-(trimethylsilyl)-4-[(S^*^)-2'-(tert-butyl- dimethylsiloxy)-2'-cyclohexylethyl]-2-oxetanone","","- C26 H52 O3 Si2 -","- C26 H52 O3 Si2 -","- C208 H416 O24 Si16 -","8","1","NA1256","Kocienski, P. J.; Pelotier, B.; Webster, M.","(3<i>R</i>*,4<i>S</i>*)-4-[(<i>S</i>*)-2-Cyclohexyl-2-(<i>tert</i>-butyldimethylsiloxy)ethyl]-3-hexyl-3-(trimethylsilyl)oxetan-2-one","Acta Crystallographica Section C","1996","52","12","3150","3152","10.1107/S0108270196009158","","","0.71069","MoKα","","","0.0591","","","0.051","","","","","2.301","2.301","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005811","9.282","0.004","17.837","0.005","8.488","0.004","90","","90","","90","","1405.3","1","295","","295","","","","","","","","","6","P c c n","-P 2ab 2ac","56","Cadmium dimethyl dithiophosphate","Bis(O,O'-dimethyl dithiophosphato)Cadmium(II)","","- C4 H12 Cd O4 P2 S4 -","- C4 H12 Cd O4 P2 S4 -","- C16 H48 Cd4 O16 P8 S16 -","4","0.5","OA1003","Ito, T.; Otake, M.","Linear-Chain Structure of Bis(<i>O</i>,<i>O</i>'-dimethyldithiophosphato)cadmium(II)","Acta Crystallographica Section C","1996","52","12","3024","3025","10.1107/S0108270196010463","","","0.71069","MoKα","","","0.0365","","","0.0545","","","","","2.375","2.375","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005812","7.755","","7.755","","35.137","0.002","90","","90","","120","","1830.03","0.1","296","","","","","","","","","","","3","P 65","P 65","170","","","","- C12 H20 O4 -","- C12 H20 O4 -","- C72 H120 O24 -","6","1","OA1006","Kiyotani, T.; Masuda, K.; Ageta, H.; Chakravarty, A. K.; Das, B.","Glycoric Acid, a New Degraded Carotenoid from <i>Glycosmis arborea</i>","Acta Crystallographica Section C","1996","52","12","3216","3217","10.1107/S0108270196010475","","","0.71073","MoKα","","","0.028","","","0.036","","","","","1.31","1.31","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005813","8.542","0.006","13.823","0.008","22.941","0.012","90","","90","","90","","2709","3","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3α, 4α, 8α, 9α-diépoxy-cis-himachalane","","- C15 H24 O2 -","- C15 H24 O2 -","- C120 H192 O16 -","8","2","PA1242","Chiaroni, A.; Riche, C.; Lassaba, E.; Benharref, A.","2α,3α:7α,8α-Diépoxy-<i>cis</i>-himachalane","Acta Crystallographica Section C","1996","52","12","3240","3243","10.1107/S0108270196008797","","","0.7107","MoKα","","","0.0538","","","0.0757","","","","","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005814","21.562","0.003","14.055","0.002","8.072","0.001","90","","90","","90","","2446.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","quitenidinium ethyl ester ethyl sulfate","","","- C23 H32 N2 O8 S -","- C23 H32 N2 O8 S -","- C92 H128 N8 O32 S4 -","4","1","SK1021","Lewinski, K.; Nitek, W.; Oleksyn, B. J.; Kostrzewa, A.; Lipinska, T.; Suszko-Purzycka, A.","Quitenidinium Ethyl Ester Ethyl Sulfate","Acta Crystallographica Section C","1996","52","12","3121","3124","10.1107/S0108270196009572","","","1.54178","CuKα","","0.0356","0.0356","","0.0984","0.0984","","","","1.06","1.06","1.06","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005815","5.588","0.001","11.645","0.001","18.561","0.002","90","","97.56","0.01","90","","1197.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","none","2',3'-dideoxy-3'-nitro-thymidine","","- C10 H13 N3 O6 -","- C10 H13 N3 O6 -","- C40 H52 N12 O24 -","4","2","SK1024","Neidle, S.; Chattopadhyaya, J. P.; Hossain, N.; Papchikhin, A.","2',3'-Dideoxy-3'-nitrothymidine and 2'-Propoxy-3'-nitrothymidine","Acta Crystallographica Section C","1996","52","12","3173","3177","10.1107/S0108270196009481","","","1.54178","CuKα","","0.0608","0.0551","","0.1722","0.1639","","","","0.894","0.899","0.899","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005816","15.746","0.002","9.373","0.001","11.304","0.002","90","","100.19","0.01","90","","1642","0.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","none","2'-oxapropyl-3'-nitro-thymidine","","- C13 H19 N3 O7 -","- C13 H19 N3 O7 -","- C52 H76 N12 O28 -","4","1","SK1024","Neidle, S.; Chattopadhyaya, J. P.; Hossain, N.; Papchikhin, A.","2',3'-Dideoxy-3'-nitrothymidine and 2'-Propoxy-3'-nitrothymidine","Acta Crystallographica Section C","1996","52","12","3173","3177","10.1107/S0108270196009481","","","1.54178","CuKα","","0.0657","0.064","","0.1748","0.1725","","","","1.192","1.194","1.194","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005817","12.155","0.002","10.867","0.001","6.415","0.001","77.5","0.01","89.76","0.02","76.51","0.02","803.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2,2':6',2""-Terpyridinium Trifluoromethanesulfonate","","- C16 H12 F3 N3 O3 S -","- C16 H12 F3 N3 O3 S -","- C32 H24 F6 N6 O6 S2 -","2","1","SK1032","Hergold-Brundic, A.; Popovic, Z.; Matkovic-Calogovic, D.","2,2':6',2''-Terpyridinium Trifluoromethanesulfonate, [terpyH](CF~3~SO~3~)","Acta Crystallographica Section C","1996","52","12","3154","3157","10.1107/S0108270196009584","","","0.71073","MoKα","","","0.0448","","","0.0431","","","","","0.646","0.646","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005818","20.568","0.004","9.057","0.002","7.295","0.002","90","","90","","90","","1358.9","0.5","300","2","300","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Sodium Inosinate(1-) 2.5 Water, Na(inosineH~-1~) . 2.5 H~2~O","","- C10 H16 N4 Na O7.5 -","- C10 H16 N4 Na O7.5 -","- C40 H64 N16 Na4 O30 -","4","1","SK1041","Klüfers, P.; Mayer, P.","The Sodium Salt of N1-Deprotonated Inosine, Na^+^.C~10~H~11~N~4~O~5~^{-^}.2.5H~2~O","Acta Crystallographica Section C","1996","52","12","2970","2972","10.1107/S0108270196009043","","","0.71069","MoKa","","0.0248","0.0233","","0.0614","0.0605","","","","1.058","1.072","1.072","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005819","7.732","0.004","8.879","0.006","9.772","0.008","66.92","0.06","85.13","0.06","64.39","0.04","553.6","0.7","293","2","293","2","","","","","","","","5","P 1","P 1","1","","Lithium Bis(1,6-anhydro-β-D-glucosidato(2-)-O^2^,O^4^)cuprate(II) Octahydrate","","- C12 H32 Cu Li2 O18 -","- C12 H32 Cu Li2 O18 -","- C12 H32 Cu Li2 O18 -","1","1","SK1042","Gack, C.; Klüfers, P.","A Homoleptic Cuprate(II) Complex with Deprotonated 1,6-Anhydro-β-<small>D</small>-glucose (Levoglucosan) Ligands","Acta Crystallographica Section C","1996","52","12","2972","2975","10.1107/S010827019600947X","","","0.71073","MoKα","","0.0362","0.0342","","0.0899","0.0871","","","","1.067","1.054","1.054","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005820","12.383","0.003","12.383","0.003","7.188","0.002","90","","90","","90","","1102.2","0.5","293","2","293","2","","","","","","","","5","I -4","I -4","82","Tetraphenylphosphonium perchlorate","Tetraphenylphosphonium perchlorate","","- C24 H20 Cl O4 P -","- C24 H20 Cl O4 P -","- C48 H40 Cl2 O8 P2 -","2","0.25","SK1044","Vittal, J. J.; Dean, P. A. W.","Tetraphenylphosphonium Perchlorate","Acta Crystallographica Section C","1996","52","12","3185","3188","10.1107/S0108270196010980","","","0.71073","MoKα","","0.1127","0.0491","","0.1236","0.0944","","","","1.046","1.087","1.087","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005821","12.815","0.001","22.5637","0.0008","13.224","0.001","90","","101.306","0.004","90","","3749.6","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(dicyclohexylammonium) aquadimethyldioxalatostannate.ethanol","","- C32 H62 N2 O10 Sn -","- C32 H62 N2 O10 Sn -","- C128 H248 N8 O40 Sn4 -","4","1","SK1050","Ng, S. W.","Bis(dicyclohexylammonium) Aquadimethyldi(oxalato-<i>O</i>,<i>O</i>')stannate Ethanol Solvate","Acta Crystallographica Section C","1996","52","12","2990","2992","10.1107/S0108270196011286","","","0.71073","MoKα","","0.0465","0.0345","","0.0883","0.0836","","","","1.027","1.096","1.096","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005822","16.164","0.008","7.194","0.005","11.923","0.005","90","","90","","90","","1386.5","1.3","293","2","290","2","","","","","","","","5","P n a 21","P 2c -2n","33","","[(Trimethylstannyl)cyclopentadienyl]titaniumtrichloride","","- C8 H13 Cl3 Sn Ti -","- C8 H13 Cl3 Sn Ti -","- C32 H52 Cl12 Sn4 Ti4 -","4","1","SK1054","Churakov, A. V.; Kuz'mina, L. G.","Trichloro[η^5^-(trimethylstannyl)cyclopentadienyl]titanium","Acta Crystallographica Section C","1996","52","12","3037","3038","10.1107/S0108270196011365","","","0.71069","MoKα","","0.0666","0.0351","","0.0913","0.0824","","","","1.043","1.168","1.168","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2005823","5.1536","0.0002","12.4441","0.0003","41.2592","0.0011","90","","90","","90","","2646.03","0.14","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 Cl N3 O5 -","- C28 H30 Cl N3 O5 -","- C112 H120 Cl4 N12 O20 -","4","1","SX1013","Janetka, J. W.; Satyshur, K. A.; Rich, D. H.","A Cyclic Side-Chain-Linked Biphenyl Ether Tripeptide: H~3~N^+^-<i>cyclo</i>-[Phe^(4{-^<i>O</i>)}-Phe-Phe^(3{-^<i>O</i>)}]-OMe.Cl^{-^}","Acta Crystallographica Section C","1996","52","12","3112","3114","10.1107/S0108270196009262","","","0.71073","MoKα","","0.0631","0.0497","","0.1198","0.1033","","","","1.173","1.129","1.129","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005824","5.188","0.001","38.076","0.007","9.049","0.001","90","","96.32","0.01","90","","1776.7","0.5","293","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[(S)-(4,5-dihydro-2-phenyl-4-oxazolyl)methyl]-(S)-sulfinyloctane","","- C18 H27 N O2 S -","- C18 H27 N O2 S -","- C72 H108 N4 O8 S4 -","4","2","SX1014","Hempel, A.; Camerman, N.; Grierson, J.; Mastropaolo, D.; Camerman, A.","Stereochemistry of Chiral Sulfoxides used for the Synthesis of Antitumor Antibiotic Analogues of Sparsomycin","Acta Crystallographica Section C","1996","52","12","3207","3210","10.1107/S0108270196009948","","","0.71073","MoKα","","0.1846","0.0781","","0.2351","0.1656","","","","0.947","1.007","1.007","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005825","4.828","0.001","34.865","0.006","5.317","0.001","90","","98.93","0.01","90","","884.2","0.3","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[(S)-(4,5-dihydro-2-phenyl-4-oxazolyl)methyl]-(R)-sulfinyloctane","","- C18 H27 N O2 S -","- C18 H27 N O2 S -","- C36 H54 N2 O4 S2 -","2","1","SX1014","Hempel, A.; Camerman, N.; Grierson, J.; Mastropaolo, D.; Camerman, A.","Stereochemistry of Chiral Sulfoxides used for the Synthesis of Antitumor Antibiotic Analogues of Sparsomycin","Acta Crystallographica Section C","1996","52","12","3207","3210","10.1107/S0108270196009948","","","0.71073","MoKα","","0.0832","0.0445","","0.1326","0.1083","","","","0.668","0.698","0.698","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005826","32.492","0.008","7.756","0.003","5.817","0.002","90","","90","","90","","1465.9","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-[(S)-(4,5-dihydro-2-phenyl-4-oxazolyl)methyl]-(S)-sulfinylphenol","","- C16 H15 N O3 S -","- C16 H15 N O3 S -","- C64 H60 N4 O12 S4 -","4","1","SX1014","Hempel, A.; Camerman, N.; Grierson, J.; Mastropaolo, D.; Camerman, A.","Stereochemistry of Chiral Sulfoxides used for the Synthesis of Antitumor Antibiotic Analogues of Sparsomycin","Acta Crystallographica Section C","1996","52","12","3207","3210","10.1107/S0108270196009948","","","1.54178","CuKα","","0.0737","0.0535","","0.1739","0.1623","","","","1.002","1.05","1.05","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005827","27.031","0.001","13.838","0.001","15.286","0.001","90","","123.27","0.01","90","","4780.6","0.7","295","","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","triaquahexakis(μ~2~-acetato)μ~3~-oxocobalt(II)diiron(III) diaquo solvate","","- C12 H28 Co Fe2 O18 -","- C12 Co0.999 Fe2.001 O18 -","- C96 Co7.992 Fe16.008 O144 -","8","1","TA1083","Sato, T.; Ambe, F.","An Oxo-Centered Trinuclear Cobalt(II)–Diiron(III) Acetate–Aqua Complex","Acta Crystallographica Section C","1996","52","12","3005","3007","10.1107/S0108270196008682","","","0.71073","MoKα","","","0.061","","","0.085","","","","","2.2","2.2","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2005828","6.853","0.002","17.675","0.002","10.203","0.002","90","","92.37","0.02","90","","1234.8","0.5","213","1","213","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","TA1091","Hockless, D. C. R.; Whittall, I. R.; Humphrey, M. G.","(<i>E</i>)- and (<i>Z</i>)-4-Ethynyl-4'-nitrostilbene","Acta Crystallographica Section C","1996","52","12","3222","3224","10.1107/S0108270196009845","","","1.5418","CuKα","","","0.0358","","","0.0386","","","","","2.857","2.857","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005829","10.027","0.001","11.037","0.002","12.472","0.001","90","","112.015","0.009","90","","1279.6","0.3","296","1","296","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","TA1091","Hockless, D. C. R.; Whittall, I. R.; Humphrey, M. G.","(<i>E</i>)- and (<i>Z</i>)-4-Ethynyl-4'-nitrostilbene","Acta Crystallographica Section C","1996","52","12","3222","3224","10.1107/S0108270196009845","","","1.5418","CuKα","","","0.0377","","","0.04","","","","","2.876","2.876","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005830","5.309","0.005","10.548","0.004","12.514","0.004","104.55","0.003","95.6","0.005","103.43","0.005","650.6","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N-(tert-Butoxycarbonyl)-2-phenylglycine","","- C13 H17 N O4 -","- C13 H17 N O4 -","- C26 H34 N2 O8 -","2","1","TA1093","González-Cameno, A. M.; Badía, D.; Domínguez, E.; Arriortua, M. I.; Urtiaga, M. K.; Solans, X.","<i>N</i>-(<i>tert</i>-Butoxycarbonyl)-2-phenylglycine","Acta Crystallographica Section C","1996","52","12","3169","3171","10.1107/S0108270196009857","","","0.71069","MoKα","","0.1159","0.0676","","0.3275","0.2115","","","","1.054","1.051","1.051","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005831","13.793","0.007","8.247","0.004","13.699","0.007","90","","104.52","0.01","90","","1508.5","1.3","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","3-(4'-Methoxyphenyl)-2,2,4,4-tetramethylpentane","","- C16 H26 O -","- C16 H26 O -","- C64 H104 O4 -","4","1","TA1097","Collins, D. J.; Fallon, G. D.; Jacobs, H. A.","Conformation of Crystalline 3-(4-Methoxyphenyl)-2,2,4,4-tetramethylpentane","Acta Crystallographica Section C","1996","52","12","3232","3234","10.1107/S0108270196011031","","","1.5418","CuKα","","","0.066","","","0.069","","","","","1.72","1.72","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005832","12.603","0.003","9.52","0.001","14.762","0.005","90","0.02","107.81","0.02","90","0.01","1686.3","0.7","130","0.1","130","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1) trans-4-tert-butylcyclohexyl p-nitrobenzenesulfonate","","- C16 H23 N O5 S -","- C16 H23 N O5 S -","- C64 H92 N4 O20 S4 -","4","1","TA1099","White, J. M.; Giordano, J.; Green, A. J.","<i>cis</i>- and <i>trans</i>-4-<i>tert</i>-Butylcyclohexyl <i>p</i>-Nitrobenzenesulfonate at 130K","Acta Crystallographica Section C","1996","52","12","3204","3207","10.1107/S0108270196009912","","","0.71069","MoKα","","0.0449","0.0379","","0.1064","0.0998","","","","1.041","1.055","1.055","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005833","6.612","0.002","9.333","0.002","13.819","0.003","90","0.02","96.72","0.03","90","0.02","846.9","0.4","130","0.1","130","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","(2) cis-4-tert-butylcyclohexyl p-nitrobenzenesulfonate","","- C16 H23 N O5 S -","- C16 H23 N O5 S -","- C32 H46 N2 O10 S2 -","2","1","TA1099","White, J. M.; Giordano, J.; Green, A. J.","<i>cis</i>- and <i>trans</i>-4-<i>tert</i>-Butylcyclohexyl <i>p</i>-Nitrobenzenesulfonate at 130K","Acta Crystallographica Section C","1996","52","12","3204","3207","10.1107/S0108270196009912","","","1.5418","CuKα(nickelfiltered)","","0.0479","0.0408","","0.1755","0.1175","","","","0.837","0.833","0.833","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005834","13.791","0.002","13.791","0.002","20.313","0.004","90","","90","","90","","3863.4","1.1","294","","294","","","","","","","","","5","I 41/a","I 4bw -1bw","","","","","- C12 H21 Cd N6 O6.5 -","- C12 H20 Cd N6 O6.5 -","- C96 H160 Cd8 N48 O52 -","8","","TA1102","Chotalia, R.; Hambley, T. W.; Ridley, D. D.; Turner, P.","A Cadmium(II) Complex of Creatinine, [Cd(C~2~H~3~O~2~)~2~(C~4~H~7~N~3~O)~2~].0.5H~2~O","Acta Crystallographica Section C","1996","52","12","3043","3045","10.1107/S0108270196009833","","","0.7107","MoKα","","0.0305","0.0305","","0.0302","0.0302","","","","2.798","2.798","2.798","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005835","7.7523","0.0007","9.3535","0.0007","6.8139","0.0006","95.432","0.008","111.021","0.007","99.112","0.008","449.19","0.07","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Diethyl 3,4-di(ethoxycarbonyl)-(2Z,4Z)-hexa-2,4-diene-1,6-dioate","","- C16 H22 O8 -","- C16 H22 O8 -","- C16 H22 O8 -","1","0.5","TA1105","Tani, K.; Yamagata, T.; Kataoka, Y.","Tetraethyl (1<i>Z</i>,3<i>Z</i>)-Buta-1,3-diene-1,2,3,4-tetracarboxylate","Acta Crystallographica Section C","1996","52","12","3138","3140","10.1107/S0108270196009195","","","1.54178","CuKα","","","0.0668","","","0.0558","","","","","1.99","1.99","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005836","7.97","0.002","14.544","0.003","16.502","0.004","90","","100.58","0.05","90","","1880.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,2-di(o-methyl-phenyl)-3,3-(oxydiethyl)-guanidine hydrochloride monohydrate","","- C19 H26 Cl N3 O2 -","- C19 H26 Cl N3 O2 -","- C76 H104 Cl4 N12 O8 -","4","1","TA1111","Sudha, L.; Subramanian, K.; Senthil Selvan, J.; Steiner, Th.; Koellner, G.; Ramdas, K.; Srinivasan, N.","3,3-(Oxydiethyl)-1,2-di(<i>o</i>-methylphenyl)guanidinium Chloride Monohydrate","Acta Crystallographica Section C","1996","52","12","3238","3240","10.1107/S0108270196011274","","","1.54176","CuKα","","0.041","0.0389","","0.1118","0.111","","","","1.036","1.058","1.058","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005837","12.661","0.003","7.216","0.001","14.796","0.002","90","","105.44","0.02","90","","1303","0.4","296.2","","296.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Cl2 N O6 -","- C11 H9 Cl2 N O6 -","- C44 H36 Cl8 N4 O24 -","4","1","TA1112","Huang, S. D.; Cox, O.; Cordero, M.; Piñeiro, S.","α,α-Diacetoxy-2,4-dichloro-5-nitrobenzaldehyde","Acta Crystallographica Section C","1996","52","12","3116","3118","10.1107/S010827019601102X","","","0.7107","MoKα","","","0.0571","","","0.0665","","","","","2.63","2.63","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2019327","5.645","0.004","7.286","0.005","9.784","0.007","106.33","0.06","106.03","0.06","99.63","0.05","357.8","0.5","210","2","210","2","","","","","","","","5","P -1","-P 1","2","uranyl bis-nicotinate","di-oxo-uranium(VI) bis-nicotinate","","- C12 H12 N2 O8 U -","- C12 H12 N2 O8 U -","- C12 H12 N2 O8 U -","1","0.5","","Alcock, N. W.; Errington, W.; Kemp, T. J.; Leceiejewicz, J.","Diaquadioxobis(pyridine-3-carboxylato)uranium(VI)","Acta Crystallographica Section C Crystal Structure Communications","1996","52","3","615","","10.1107/S0108270195012972","","","0.71073","MoKα","","0.0216","0.0197","","0.0572","0.0508","","","","1.098","1.098","1.098","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019331","8.314","0.003","11.505","0.003","8.418","0.002","90","","90.25","0.02","90","","805.2","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R,2R,3S,4S)-Bicyclo[2.2.1]-heptan-3-benzamido-3-carbomethoxy-2-carboxylic acid","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C34 H38 N2 O10 -","2","1","","Buñuel, E.; Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.","A Conformationally Restricted Aspartic Acid Analogue","Acta Crystallographica Section C Crystal Structure Communications","1996","52","5","1252","","10.1107/S0108270195016106","","","0.71073","MoKα","","0.0492","0.0378","","0.0999","0.0923","","","","1.072","1.086","1.086","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019339","10.679","0.003","6.618","0.004","6.978","0.004","90","","90","","90","","493.2","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Potassium Molybdylarsenate","","- As K Mo O6 -","- As K Mo O6 -","- As4 K4 Mo4 O24 -","4","0.5","","Zid, M. F.; Jouini, T.","KMoO2AsO4","Acta Crystallographica Section C Crystal Structure Communications","1996","52","1","3","","10.1107/S0108270195010572","","","0.71069","MoKα","","0.0267","0.024","","0.0713","0.0693","","","","1.108","1.139","1.139","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019348","9.484","0.002","7.812","0.002","26.171","0.005","90","","94.64","0.03","90","","1932.6","0.7","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,3-bis(2-imidazolyl)propionic acid hemihydrate","","- C9 H11 N4 O2.5 -","- C9 H11 N4 O2.5 -","- C72 H88 N32 O20 -","8","2","","Gimeno, B.; Sancho, A.; Soto, L.; Legros, J. P.","3,3-Bis(2-imidazolyl)propionic Acid Hemihydrate","Acta Crystallographica Section C Crystal Structure Communications","1996","52","5","1226","","10.1107/S0108270195016222","","","0.71069","MoKα","","","0.04","","","0.043","","","","","2.44","2.44","","","","","has coordinates","188723","2020-10-21","18:00:00",""
"2020047","8.959","","13.677","","9.777","","90","","90","","90","","1198","","","","","","","","","","","","","6","P 21/n 1 1","-P 2xn","14","","(Pt Br2 (C2 H6 O S)2)","","- C4 H12 Br2 O2 Pt S2 -","- C4 Br2 O2 Pt S2 -","- C16 Br8 O8 Pt4 S8 -","4","1","","Loevqvist, K.","cis-Dibromobis(dimethyl sulfoxide-S)platinum(II) and trans-bis(dimethyl sulfoxide-S)diiodoplatinum(II)","Acta Crystallographica C (39,1983-)","1996","52","","1921","1924","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2021867","5.739","0.001","7.621","0.002","36.561","0.005","90","","90","","90","","1599.1","0.5","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 Cl N S -","- C18 H14 Cl N S -","- C72 H56 Cl4 N4 S4 -","4","1","","Roche, D.; Métin, J.; Madesclaire, M.","(E)-3-(4-Chlorophenyl)-3-cyclopropyl-2-(phenylthio)acrylonitrile","Acta Crystallographica Section C Crystal Structure Communications","1996","52","12","3104","","10.1107/S0108270196007172","","","0.71073","MoKα","","","0.049","","","0.049","","","","","1.34","1.34","","","","","has coordinates","246028","2020-10-21","18:00:00",""
"2101421","8.007","0.004","13.002","0.002","66.24","0.01","90","","91.96","0.03","90","","6892","4","293","1","293.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 Fe O -","- C21 H23 Fe O -","- C336 H368 Fe16 O16 -","16","4","AB0340","Glidewell, C.; Klar, R. B.; Lightfoot, P.; Zakaria, C. M.; Ferguson, G.","Hydrogen bonding in α-ferrocenyl alcohols: structures of 1-ferrocenylethanol, 1-ferrocenyl-2-phenylethanol, 1-ferrocenyl-1-phenylpropan-1-ol, 1-ferrocenyl-1-phenyl-2-methylpropan-1-ol, 1-ferrocenyl-1-phenyl-2,2-dimethylpropan-1-ol, 1-ferrocenyl-1,2-diphenylethanol and diferrocenyl(phenyl)methanol","Acta Crystallographica Section B","1996","52","1","110","121","10.1107/S0108768195007531","","","1.5418","CuKα","","","0.072","","","0.068","","","","","3.71","3.71","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101422","23.3334","0.0018","23.3334","0.0018","7.7186","0.0011","90","","90","","90","","4202.4","0.8","294","1","294","1","","","","","","","","4","I 41 c d","I 4bw -2c","110","1-Ferrocenylethanol","1-Ferrocenylethanol","","- C12 H14 Fe O -","- C12 H14 Fe O -","- C192 H224 Fe16 O16 -","16","1","AB0340","Glidewell, C.; Klar, R. B.; Lightfoot, P.; Zakaria, C. M.; Ferguson, G.","Hydrogen bonding in α-ferrocenyl alcohols: structures of 1-ferrocenylethanol, 1-ferrocenyl-2-phenylethanol, 1-ferrocenyl-1-phenylpropan-1-ol, 1-ferrocenyl-1-phenyl-2-methylpropan-1-ol, 1-ferrocenyl-1-phenyl-2,2-dimethylpropan-1-ol, 1-ferrocenyl-1,2-diphenylethanol and diferrocenyl(phenyl)methanol","Acta Crystallographica Section B","1996","52","1","110","121","10.1107/S0108768195007531","","","0.7107","MolybdenumKα","","0.049","0.025","","0.033","0.029","","","","","0.99","0.99","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101423","9.8589","0.0007","15.28","0.0017","19.1399","0.0017","90","","90","","90","","2883.3","0.5","294","1","294","1","","","","","","","","4","P n a a","-P 2ac 2bc","56","1-Ferrocenyl-2-phenylethanol","1-Ferrocenyl-2-phenylethanol","","- C18 H18 Fe O -","- C18 H18 Fe O -","- C144 H144 Fe8 O8 -","8","1","AB0340","Glidewell, C.; Klar, R. B.; Lightfoot, P.; Zakaria, C. M.; Ferguson, G.","Hydrogen bonding in α-ferrocenyl alcohols: structures of 1-ferrocenylethanol, 1-ferrocenyl-2-phenylethanol, 1-ferrocenyl-1-phenylpropan-1-ol, 1-ferrocenyl-1-phenyl-2-methylpropan-1-ol, 1-ferrocenyl-1-phenyl-2,2-dimethylpropan-1-ol, 1-ferrocenyl-1,2-diphenylethanol and diferrocenyl(phenyl)methanol","Acta Crystallographica Section B","1996","52","1","110","121","10.1107/S0108768195007531","","","0.7107","MolybdenumKα","","0.106","0.036","","0.061","0.047","","","","","1.15","1.15","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101424","10.2443","0.0013","10.5811","0.0017","14.2487","0.0012","90","","100.19","0.009","90","","1520.1","0.3","294","1","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-Ferrocenyl-1-phenylpropan-1-ol","1-Ferrocenyl-1-phenylpropan-1-ol","","- C19 H20 Fe O -","- C19 H20 Fe O -","- C76 H80 Fe4 O4 -","4","1","AB0340","Glidewell, C.; Klar, R. B.; Lightfoot, P.; Zakaria, C. M.; Ferguson, G.","Hydrogen bonding in α-ferrocenyl alcohols: structures of 1-ferrocenylethanol, 1-ferrocenyl-2-phenylethanol, 1-ferrocenyl-1-phenylpropan-1-ol, 1-ferrocenyl-1-phenyl-2-methylpropan-1-ol, 1-ferrocenyl-1-phenyl-2,2-dimethylpropan-1-ol, 1-ferrocenyl-1,2-diphenylethanol and diferrocenyl(phenyl)methanol","Acta Crystallographica Section B","1996","52","1","110","121","10.1107/S0108768195007531","","","0.7107","MolybdenumKα","","0.056","0.029","","0.047","0.042","","","","","1.14","1.14","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101425","25.387","0.004","7.6825","0.0006","17.803","0.003","90","","108.217","0.017","90","","3298.2","0.9","294","1","294","1","","","","","","","","4","C 1 c 1","C -2yc","9","1-Ferrocenyl-1-phenyl-2-methylpropan-1-ol","1-Ferrocenyl-1-phenyl-2-methylpropan-1-ol","","- C20 H22 Fe O -","- C20 H22 Fe O -","- C160 H176 Fe8 O8 -","8","2","AB0340","Glidewell, C.; Klar, R. B.; Lightfoot, P.; Zakaria, C. M.; Ferguson, G.","Hydrogen bonding in α-ferrocenyl alcohols: structures of 1-ferrocenylethanol, 1-ferrocenyl-2-phenylethanol, 1-ferrocenyl-1-phenylpropan-1-ol, 1-ferrocenyl-1-phenyl-2-methylpropan-1-ol, 1-ferrocenyl-1-phenyl-2,2-dimethylpropan-1-ol, 1-ferrocenyl-1,2-diphenylethanol and diferrocenyl(phenyl)methanol","Acta Crystallographica Section B","1996","52","1","110","121","10.1107/S0108768195007531","","","0.7107","MolybdenumKα","","0.027","0.022","","0.036","0.035","","","","","1.11","1.11","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101426","26.229","0.002","5.889","0.002","24.553","0.002","90","","104.114","0.011","90","","3678","1.3","294","1","294","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1-Ferrocenyl-1,2-diphenylethanol","1-Ferrocenyl-1,2-diphenylethanol","","- C24 H22 Fe O -","- C24 H22 Fe O -","- C192 H176 Fe8 O8 -","8","1","AB0340","Glidewell, C.; Klar, R. B.; Lightfoot, P.; Zakaria, C. M.; Ferguson, G.","Hydrogen bonding in α-ferrocenyl alcohols: structures of 1-ferrocenylethanol, 1-ferrocenyl-2-phenylethanol, 1-ferrocenyl-1-phenylpropan-1-ol, 1-ferrocenyl-1-phenyl-2-methylpropan-1-ol, 1-ferrocenyl-1-phenyl-2,2-dimethylpropan-1-ol, 1-ferrocenyl-1,2-diphenylethanol and diferrocenyl(phenyl)methanol","Acta Crystallographica Section B","1996","52","1","110","121","10.1107/S0108768195007531","","","0.7107","MolybdenumKα","","0.142","0.036","","0.057","0.044","","","","","1.08","1.08","","","","","has coordinates","191032","2020-10-21","18:00:00",""
"2101427","9.3999","0.0011","11.1988","0.0016","11.972","0.0016","117.844","0.011","98.89","0.01","102.362","0.011","1040.2","0.3","294","1","294","1","","","","","","","","4","P -1","-P 1","2","Diferrocenyl(phenyl)methanol","Diferrocenyl(phenyl)methanol","","- C27 H24 Fe2 O -","- C27 H24 Fe2 O -","- C54 H48 Fe4 O2 -","2","1","AB0340","Glidewell, C.; Klar, R. B.; Lightfoot, P.; Zakaria, C. M.; Ferguson, G.","Hydrogen bonding in α-ferrocenyl alcohols: structures of 1-ferrocenylethanol, 1-ferrocenyl-2-phenylethanol, 1-ferrocenyl-1-phenylpropan-1-ol, 1-ferrocenyl-1-phenyl-2-methylpropan-1-ol, 1-ferrocenyl-1-phenyl-2,2-dimethylpropan-1-ol, 1-ferrocenyl-1,2-diphenylethanol and diferrocenyl(phenyl)methanol","Acta Crystallographica Section B","1996","52","1","110","121","10.1107/S0108768195007531","","","0.7107","MolybdenumKα","","0.048","0.031","","0.046","0.043","","","","","1.14","1.14","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101428","9.89","0.002","15.324","0.006","6.302","0.003","90","","90","","90","","955.1","0.6","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C7 H16 Cl N O2 -","- C7 H16 Cl N O2 -","- C28 H64 Cl4 N4 O8 -","4","1","AB0341","Frydenvang, K.; Jensen, B.","Conformational analysis of acetylcholine and related choline esters","Acta Crystallographica Section B","1996","52","1","184","193","10.1107/S0108768195007567","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101429","10.35","0.004","13.028","0.002","6.816","0.001","90","","90","","90","","919.1","0.4","","","","","","","","","","","","5","P n a m","-P 2c -2n","","","","","- C6 H15 Br N2 O2 -","- C6 H15 Br N2 O2 -","- C24 H60 Br4 N8 O8 -","4","0.5","AB0341","Frydenvang, K.; Jensen, B.","Conformational analysis of acetylcholine and related choline esters","Acta Crystallographica Section B","1996","52","1","184","193","10.1107/S0108768195007567","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101430","10.179","0.003","12.781","0.004","6.713","0.002","90","","90","","90","","873.3","0.5","","","","","","","","","","","","5","P n a m","-P 2c -2n","","","","","- C6 H15 Cl N2 O2 -","- C6 H15 Cl N2 O2 -","- C24 H60 Cl4 N8 O8 -","4","0.5","AB0341","Frydenvang, K.; Jensen, B.","Conformational analysis of acetylcholine and related choline esters","Acta Crystallographica Section B","1996","52","1","184","193","10.1107/S0108768195007567","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101431","5.919","0.002","12.573","0.004","13.643","0.002","90","","96.46","0.02","90","","1008.9","0.5","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C6 H15 I N2 O2 -","- C6 H15 I N2 O2 -","- C24 H60 I4 N8 O8 -","4","1","AB0341","Frydenvang, K.; Jensen, B.","Conformational analysis of acetylcholine and related choline esters","Acta Crystallographica Section B","1996","52","1","184","193","10.1107/S0108768195007567","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101432","10.267","0.001","15.305","0.007","6.873","0.002","90","","90","","90","","1080","0.6","","","","","","","","","","","","5","P n a m","-P 2c -2n","","","","","- C7 H16 I N O3 -","- C7 H16 I N O3 -","- C28 H64 I4 N4 O12 -","4","0.5","AB0341","Frydenvang, K.; Jensen, B.","Conformational analysis of acetylcholine and related choline esters","Acta Crystallographica Section B","1996","52","1","184","193","10.1107/S0108768195007567","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101433","12.803","0.003","8.165","0.002","9.612","0.002","90","","98.09","0.02","90","","994.8","0.4","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H30 I2 N2 O4 -","- C14 H30 I2 N2 O4 -","- C28 H60 I4 N4 O8 -","2","1","AB0341","Frydenvang, K.; Jensen, B.","Conformational analysis of acetylcholine and related choline esters","Acta Crystallographica Section B","1996","52","1","184","193","10.1107/S0108768195007567","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101434","18.64","0.005","13.088","0.008","7.502","0.004","90","","90","","90","","1830.2","1.6","","","","","","","","","","","","5","P n a 21","P 2c -2n","","","","","- C16 H21 N3 O7 S -","- C16 H21 N3 O7 S -","- C64 H84 N12 O28 S4 -","4","1","BK0027","Russell, V. A.; Ward, M. D.","Solid-state structure of a layered hydrogen-bonded salt: guanidinium 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonate methanol solvate","Acta Crystallographica Section B","1996","52","1","209","214","10.1107/S0108768195009980","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101435","29.145","0.003","29.145","0.003","7.695","0.001","90","","90","","90","","6536.4","1.3","","","","","","","","","","","","3","I 4","I 4","","","","","- C34 H44 O14.5 -","- C37 H50 O16 -","- C296 H400 O128 -","8","1","CR0491","Govindachari, T. R.; Geetha Gopalakrishnan,; Rajan, S. S.; Kabaleeswaran, V.; Lessinger, L.","Molecular and crystal structure of azadirachtin-H","Acta Crystallographica Section B","1996","52","1","145","150","10.1107/S0108768195010056","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101436","37.754","0.007","5.4109","0.0008","41.07","0.009","90","","103.58","0.02","90","","8155","3","","","","","","","","","","","","5","C 1 c 1","C -2yc","","","","","- Bi2 Ca Cu2 O8 Sr2 -","- Bi2 Ca Cu2 O8.22222 Sr2 -","- Bi72 Ca36 Cu72 O296 Sr72 -","36","9","DU0400","Gladyshevskii, R. E.; Flükiger, R.","Modulated structure of Bi~2~Sr~2~CaCu~2~O~8+{δ~}, a high-<i>T</i>~c~ superconductor with monoclinic symmetry","Acta Crystallographica Section B","1996","52","1","38","53","10.1107/S0108768195007075","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101437","5.4112","0.0007","30.873","0.007","5.416","0.002","90","","90","","90","","904.8","0.4","","","","","","","","","","","","5","C c c 2","C 2 -c","","","","","- Bi2 Ca Cu2 O8 Sr2 -","- Bi4 Ca Cu2 O8 Sr2 -","- Bi16 Ca4 Cu8 O32 Sr8 -","4","0.5","DU0400","Gladyshevskii, R. E.; Flükiger, R.","Modulated structure of Bi~2~Sr~2~CaCu~2~O~8+{δ~}, a high-<i>T</i>~c~ superconductor with monoclinic symmetry","Acta Crystallographica Section B","1996","52","1","38","53","10.1107/S0108768195007075","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101438","3.148","0.001","3.148","0.001","4.779","0.002","90","","90","","120","","41.01","0.03","298","","","","","","","","","","","3","P -3 m 1","-P 3 2""","","","","","- H2 Mg O2 -","- H6 Mg O2 -","- H6 Mg O2 -","1","0.0833333","DU0401","Desgranges, L.; Calvarin, G.; Chevrier, G.","Interlayer interactions in <i>M</i>(OH)~2~: a neutron diffraction study of Mg(OH)~2~","Acta Crystallographica Section B","1996","52","1","82","86","10.1107/S0108768195008275","","neutron","0.833","neutron","","","0.0242","","","0.024","","","","3.22","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101439","3.145","0.001","3.145","0.001","4.74","0.002","90","","90","","120","","40.6","0.03","70","","","","","","","","","","","3","P -3 m 1","-P 3 2""","","","","","- H2 Mg O2 -","- H6 Mg O2 -","- H6 Mg O2 -","1","0.0833333","DU0401","Desgranges, L.; Calvarin, G.; Chevrier, G.","Interlayer interactions in <i>M</i>(OH)~2~: a neutron diffraction study of Mg(OH)~2~","Acta Crystallographica Section B","1996","52","1","82","86","10.1107/S0108768195008275","","neutron","0.833","neutron","","","0.0184","","","0.0182","","","","2.54","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101440","7.672","0.001","8.217","0.002","29.042","0.002","90","","92.41","0.01","90","","1829.2","0.5","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Cl2 O4 -","- C20 H14 Cl2 O4 -","- C80 H56 Cl8 O16 -","4","1","FG0003","Jones, R.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J.","Structures and photochemistry of 1,5-disubstituted dibenzobarrelenes","Acta Crystallographica Section B","1996","52","1","151","158","10.1107/S0108768195005854","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101441","7.864","0.002","27.588","0.002","8.76","0.002","90","","101.88","0.02","90","","1859.8","0.7","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 N2 O4 -","- C22 H14 N2 O4 -","- C88 H56 N8 O16 -","4","1","FG0003","Jones, R.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J.","Structures and photochemistry of 1,5-disubstituted dibenzobarrelenes","Acta Crystallographica Section B","1996","52","1","151","158","10.1107/S0108768195005854","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101442","15.328","0.003","14.483","0.002","20.421","0.001","90","","105.65","0.01","90","","4365.3","1.1","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C26 H19 N2 O4 -","- C26 H19 N2 O4 -","- C208 H152 N16 O32 -","8","2","FG0003","Jones, R.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J.","Structures and photochemistry of 1,5-disubstituted dibenzobarrelenes","Acta Crystallographica Section B","1996","52","1","151","158","10.1107/S0108768195005854","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101443","15.174","0.002","14.408","0.002","20.531","0.002","90","","109.21","0.01","90","","4238.7","0.9","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24.8 H17.5 N2 O4 -","- C25.5 H18.5 N2 O4 -","- C204 H148 N16 O32 -","8","2","FG0003","Jones, R.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J.","Structures and photochemistry of 1,5-disubstituted dibenzobarrelenes","Acta Crystallographica Section B","1996","52","1","151","158","10.1107/S0108768195005854","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101444","14.9","0.002","15.128","0.009","8.809","0.003","105.03","0.03","90.22","0.02","82.79","0.03","1901.7","1.4","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 O6 -","- C22 H20 O6 -","- C88 H80 O24 -","4","2","FG0003","Jones, R.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J.","Structures and photochemistry of 1,5-disubstituted dibenzobarrelenes","Acta Crystallographica Section B","1996","52","1","151","158","10.1107/S0108768195005854","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101445","14.867","0.001","8.109","0.001","14.944","0.001","90","","90","","90","","1801.6","0.3","","","","","","","","","","","","4","P n a 21","P 2c -2n","","","","","- C20 H14 Cl2 O4 -","- C20 H14 Cl2 O4 -","- C80 H56 Cl8 O16 -","4","1","FG0003","Jones, R.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J.","Structures and photochemistry of 1,5-disubstituted dibenzobarrelenes","Acta Crystallographica Section B","1996","52","1","151","158","10.1107/S0108768195005854","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101446","20.009","0.003","19.909","0.004","13.366","0.002","90","","90","","90","","5324.5","1.6","298","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C1.92 H1.32 Al0.04 Cl0.64 O24 Si11.96 -","- C6 H4 Cl2 O24 Si12 -","- C48 H32 Cl16 O192 Si96 -","8","1","HU0426","van Koningsveld, H.; Jansen, J. C.; Man, A. J. M. de","Single-crystal structure analysis and energy minimizations of a MFI-type zeolite at low <i>p</i>-dichlorobenzene sorbate loading","Acta Crystallographica Section B","1996","52","1","131","139","10.1107/S0108768195008512","","","0.71073","Mo","","","0.044","","","0.048","","","","","2.99","2.99","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2101447","20.102","0.006","19.797","0.009","13.436","0.003","90","","90","","90","","5347","3","293","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C12 H8 Al0.08 Cl4 O48 Si23.92 -","- C12 H8 Cl4 O48 Si24 -","- C48 H32 Cl16 O192 Si96 -","4","1","HU0427","van Koningsveld, H.; Jansen, J. C.; van Bekkum, H.","The location of <i>p</i>-dichlorobenzene in a single crystal of zeolite H-ZSM-5 at high sorbate loading","Acta Crystallographica Section B","1996","52","1","140","144","10.1107/S0108768195008524","","","0.71073","Mo","","","0.046","","","0.039","","","","2.27","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101448","13.922","0.006","6.951","0.003","30.173","0.007","90","","93.04","0.03","90","","2915.8","1.9","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C16 H16 Cl N O3 -","- C16 H16 Cl N O3 -","- C128 H128 Cl8 N8 O24 -","8","2","KA0027","Böcskei, Zs.; Simon, K.; Németh, V.; Ágai, B.; Toke, L.","Interesting conformational and substitutional disorder in the crystal structures of three homologous crowns","Acta Crystallographica Section B","1996","52","1","194","200","10.1107/S0108768195008135","","","1.5418","CuKα","","0.3347","0.0748","","0.342","0.1907","","","","0.97","1.308","1.308","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101449","11.146","0.004","12.343","0.002","13.737","0.008","90","","107.92","0.05","90","","1798.2","1.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H20 Cl N O4 -","- C18 H20 Cl N O4 -","- C72 H80 Cl4 N4 O16 -","4","2","KA0027","Böcskei, Zs.; Simon, K.; Németh, V.; Ágai, B.; Toke, L.","Interesting conformational and substitutional disorder in the crystal structures of three homologous crowns","Acta Crystallographica Section B","1996","52","1","194","200","10.1107/S0108768195008135","","","1.5418","CuKα","","0.1532","0.067","","0.2709","0.1749","","","","1.02","1.049","1.049","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2101450","12.477","0.003","12.646","0.004","13.4267","0.0011","90","","102.747","0.012","90","","2066.3","0.8","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C20 H26 Cl N O6 -","- C20 H26 Cl N O6 -","- C80 H104 Cl4 N4 O24 -","4","2","KA0027","Böcskei, Zs.; Simon, K.; Németh, V.; Ágai, B.; Toke, L.","Interesting conformational and substitutional disorder in the crystal structures of three homologous crowns","Acta Crystallographica Section B","1996","52","1","194","200","10.1107/S0108768195008135","","","1.5418","CuKα","","0.1782","0.0652","","0.2713","0.1745","","","","1.018","1.126","1.126","","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2101451","14.07","0.02","14.07","0.02","7.3","0.01","90","","90","","90","","1445","4","160","1","","","","","","","","","","3","I 4 c m","I 4 -2c","108","","","","- Al3 F19 Pb5 -","- Al3 F19 Pb5 -","- Al12 F76 Pb20 -","4","0.25","MD0001","Sarraute, S.; Ravez, J.; Von der Mühll, R.; Bravic, G.; Feigelson, R. S.; Abrahams, S. C.","Structure of ferroelectric Pb~5~Al~3~F~19~ at 160 K, polarization reversal and relationship to ferroelectric Pb~5~Cr~3~F~19~ at 295 K","Acta Crystallographica Section B","1996","52","1","72","77","10.1107/S0108768195008366","","","0.71073","Mo","","","0.0527","","","0.048","","","","","1.065","1.065","","","","","has coordinates","208225","2020-10-21","18:00:00",""
"2101452","15.875","0.001","17.583","0.001","24.27","0.002","90","","90","","90","","6774.5","0.8","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C42 H92.5 Ca2 Cl4 O46.25 -","- C42 H49 Ca2 Cl4 O47 -","- C168 H196 Ca8 Cl16 O188 -","4","1","PA0290","Nicolis, I.; Coleman, A. W.; Charpin, P.; Rango, C. de","First sphere coordination of divalent metal cations by cyclodextrin: structure of the β-cyclodextrin‒calcium chloride‒water (1/2/11.25) compound","Acta Crystallographica Section B","1996","52","1","122","130","10.1107/S0108768195002321","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101453","11.136","0.002","6.649","0.001","8.091","0.001","90","","90","","90","","599.08","0.16","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","PA0307","Hamzaoui, F.; Baert, F.; Wojcik, G.","Electron-density study of <i>m</i>-nitrophenol in the orthorhombic structure","Acta Crystallographica Section B","1996","52","1","159","164","10.1107/S0108768195006719","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","190627","2020-10-21","18:00:00",""
"2101454","3.9488","0.0003","3.9488","0.0003","12.1869","0.0009","90","","90","","90","","190.03","0.02","293","","","","","","","","","","","3","I 4/m m m","-I 4 2","","","","","- Cu Nd2 O4 -","- Cu Nd2 O4 -","- Cu2 Nd4 O8 -","2","0.0625","SH0051","Makarova, I. P.; Simonov, V. I.; Blomberg, M. K.; Merisalo, M. J.","X-ray diffraction study of Nd~2~CuO~4~ single crystals at 20 K","Acta Crystallographica Section B","1996","52","1","93","99","10.1107/S0108768195009967","","","0.5609","AgKα","","","0.007","","","0.0082","","","","1.84","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101455","3.9379","0.0002","3.9379","0.0002","12.14","0.0006","90","","90","","90","","188.256","0.016","20","","","","","","","","","","","3","I 4/m m m","-I 4 2","","","","","- Cu Nd2 O4 -","- Cu Nd2 O4 -","- Cu2 Nd4 O8 -","2","0.0625","SH0051","Makarova, I. P.; Simonov, V. I.; Blomberg, M. K.; Merisalo, M. J.","X-ray diffraction study of Nd~2~CuO~4~ single crystals at 20 K","Acta Crystallographica Section B","1996","52","1","93","99","10.1107/S0108768195009967","","","0.5609","AgKα","","","0.006","","","0.0076","","","","1.82","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101456","10.68535","0.00007","10.68535","0.00007","10.68535","0.00007","89.7364","0.0009","89.7364","0.0009","89.7364","0.0009","1219.98","0.014","","","","","","","","","","","","2","R -3 m","-P 3* 2","","","","","- Pu0.6 U0.4 -","- Pu -","- Pu58 -","58","","VS0125","Lawson, A. C.; Goldstone, J. A.; Cort, B.; Martinez, R. J.; Vigil, F. A.; Zocco, T. G.; Richardson, Jnr, J. W.; Mueller, M. H.","Structure of ζ-phase plutonium‒uranium","Acta Crystallographica Section B","1996","52","1","32","37","10.1107/S0108768195006811","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101457","15.0765","0.0001","15.0765","0.0001","18.5925","0.0003","90","","90","","120","","3659.9","0.07","","","","","","","","","","","","2","R -3 m","-R 3 2""","","","","","- Pu0.6 U0.4 -","- Pu3 -","- Pu174 -","58","","VS0125","Lawson, A. C.; Goldstone, J. A.; Cort, B.; Martinez, R. J.; Vigil, F. A.; Zocco, T. G.; Richardson, Jnr, J. W.; Mueller, M. H.","Structure of ζ-phase plutonium‒uranium","Acta Crystallographica Section B","1996","52","1","32","37","10.1107/S0108768195006811","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101458","7.664","0.006","9.874","0.008","14.851","0.008","101.71","0.05","90.45","0.05","102.27","0.05","1073.8","1.4","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N2 O4 S4 -","- C18 H20 N2 O4 S4 -","- C36 H40 N4 O8 S8 -","2","1","AB0334","Nüesch, F.; Grätzel, M.; Nesper, R.; Shklover, V.","Crystal and molecular structures of 3-acetyl-5-[2-(3-ethyl-2-benzothiazolidene)]ethylidenerhodanine and its lithium and sodium salts. Layered organic–inorganic structures","Acta Crystallographica Section B","1996","52","2","277","286","10.1107/S0108768195008263","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101459","7.249","0.005","10.773","0.006","16.433","0.013","87.66","0.06","85.22","0.06","77.04","0.06","1245.9","1.5","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C20.5 H27.5 Li N3.5 O6.5 S3 -","- C22 H24 Li N3.5 O7 S3 -","- C44 H48 Li2 N7 O14 S6 -","2","1","AB0334","Nüesch, F.; Grätzel, M.; Nesper, R.; Shklover, V.","Crystal and molecular structures of 3-acetyl-5-[2-(3-ethyl-2-benzothiazolidene)]ethylidenerhodanine and its lithium and sodium salts. Layered organic–inorganic structures","Acta Crystallographica Section B","1996","52","2","277","286","10.1107/S0108768195008263","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101460","46.209","0.012","7.005","0.007","16.583","0.008","90","","109.45","0.04","90","","5061","6","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","","","","","- C16 H29 N2 Na O11 S3 -","- C16 H29 N2 Na O11 S3 -","- C128 H232 N16 Na8 O88 S24 -","8","1","AB0334","Nüesch, F.; Grätzel, M.; Nesper, R.; Shklover, V.","Crystal and molecular structures of 3-acetyl-5-[2-(3-ethyl-2-benzothiazolidene)]ethylidenerhodanine and its lithium and sodium salts. Layered organic‒inorganic structures","Acta Crystallographica Section B","1996","52","2","277","286","10.1107/S0108768195008263","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101461","15.15","0.005","14.846","0.006","12.785","0.003","90","","93.26","0.02","90","","2870.9","1.6","296","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 Co N5 O4 P -","- C29 H33 Co N5 O4 P -","- C116 H132 Co4 N20 O16 P4 -","4","1","AS0694","Sawada, K.; Hashizume, D.; Sekine, A.; Uekusa, H.; Kato, K.; Ohashi, Y.; Kakinuma, K.; Ohgo, Y.","Four polymorphs of a cobaloxime complex with different solid-state photoisomerization rates","Acta Crystallographica Section B","1996","52","2","303","313","10.1107/S0108768195011736","","","0.71073","MoKα","","","0.0798","","","0.2149","","","","","1.187","1.187","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101462","59.684","0.008","14.909","0.002","12.956","0.002","90","","90","","90","","11529","3","296","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H33 Co N5 O4 P -","- C29 H33 Co N5 O4 P -","- C464 H528 Co16 N80 O64 P16 -","16","2","AS0694","Sawada, K.; Hashizume, D.; Sekine, A.; Uekusa, H.; Kato, K.; Ohashi, Y.; Kakinuma, K.; Ohgo, Y.","Four polymorphs of a cobaloxime complex with different solid-state photoisomerization rates","Acta Crystallographica Section B","1996","52","2","303","313","10.1107/S0108768195011736","","","1.54184","CuKα","","","0.0597","","","0.1276","","","","","1.138","1.138","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101463","15.103","0.008","13.483","0.009","14.908","0.005","90","","107.12","0.04","90","","2901","3","296","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 Co N5 O4 P -","- C31 H37 Co N6 O4 P -","- C124 H148 Co4 N24 O16 P4 -","4","1","AS0694","Sawada, K.; Hashizume, D.; Sekine, A.; Uekusa, H.; Kato, K.; Ohashi, Y.; Kakinuma, K.; Ohgo, Y.","Four polymorphs of a cobaloxime complex with different solid-state photoisomerization rates","Acta Crystallographica Section B","1996","52","2","303","313","10.1107/S0108768195011736","","","0.71073","MoKα","","","0.0598","","","0.125","","","","","1.169","1.169","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101464","14.926","0.004","18.433","0.004","10.642","0.005","90","","90","","90","","2927.9","1.7","296","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H33 Co N5 O4 P -","- C31 H37 Co N6 O4 P -","- C124 H148 Co4 N24 O16 P4 -","4","1","AS0694","Sawada, K.; Hashizume, D.; Sekine, A.; Uekusa, H.; Kato, K.; Ohashi, Y.; Kakinuma, K.; Ohgo, Y.","Four polymorphs of a cobaloxime complex with different solid-state photoisomerization rates","Acta Crystallographica Section B","1996","52","2","303","313","10.1107/S0108768195011736","","","0.71073","MoKα","","","0.0663","","","0.1437","","","","","0.981","0.981","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101465","7.483","0.004","8.881","0.004","4.731","0.004","91.29","0.06","93.23","0.06","100.24","0.04","308.7","0.3","297","","","","","","","","","","","4","P -1","-P 1","2","","","","- C4 H9 N O4 -","- C4 H10 N O4 -","- C8 H20 N2 O8 -","2","1","AS0697","Hirano, A.; Kubozono, Y.; Maeda, H.; Ishida, H.; Kashino, S.","Structure of ammonium hydrogen succinate above and below the phase transition around 170K","Acta Crystallographica Section B","1996","52","2","323","327","10.1107/S0108768195012432","","","0.71073","MoKα","","","0.034","","","0.029","","","","","1.49","1.49","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101466","7.437","0.001","8.834","0.002","4.6927","0.0006","91.32","0.01","93.37","0.01","100.68","0.01","302.26","0.09","190","","","","","","","","","","","4","P -1","-P 1","2","","","","- C4 H9 N O4 -","- C4 H10 N O4 -","- C8 H20 N2 O8 -","2","1","AS0697","Hirano, A.; Kubozono, Y.; Maeda, H.; Ishida, H.; Kashino, S.","Structure of ammonium hydrogen succinate above and below the phase transition around 170K","Acta Crystallographica Section B","1996","52","2","323","327","10.1107/S0108768195012432","","","0.71073","MoKα","","","0.043","","","0.048","","","","","1.33","1.33","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101467","7.4384","0.0006","8.8222","0.0007","4.6875","0.0006","91.48","0.01","93.178","0.009","100.85","0.006","301.44","0.05","150","","","","","","","","","","","4","P -1","-P 1","2","","","","- C4 H9 N O4 -","- C4 H10 N O4 -","- C8 H20 N2 O8 -","2","1","AS0697","Hirano, A.; Kubozono, Y.; Maeda, H.; Ishida, H.; Kashino, S.","Structure of ammonium hydrogen succinate above and below the phase transition around 170K","Acta Crystallographica Section B","1996","52","2","323","327","10.1107/S0108768195012432","","","0.71073","MoKα","","","0.038","","","0.043","","","","","1.25","1.25","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101468","5.7208","0.0006","8.211","0.001","8.831","0.001","90","","90.94","0.01","90","","414.77","0.08","","","108","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 V -","- C10 H10 V -","- C20 H20 V2 -","2","0.5","BK0022","Antipin, M. Yu.; Boese, R.","Structure of vanadocene in the temperature interval 108–357 K and the nature of the ring disorder","Acta Crystallographica Section B","1996","52","2","314","322","10.1107/S0108768195012213","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101469","5.772","0.001","8.111","0.002","8.981","0.002","90","","89.95","0.02","90","","420.4","0.2","","","170","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 V -","- C10 V -","- C20 V2 -","2","0.5","BK0022","Antipin, M. Yu.; Boese, R.","Structure of vanadocene in the temperature interval 108–357 K and the nature of the ring disorder","Acta Crystallographica Section B","1996","52","2","314","322","10.1107/S0108768195012213","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101470","5.772","0.001","8.111","0.002","8.981","0.002","90","","89.95","0.02","90","","420.4","0.2","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 V -","- C20 V -","- C40 V2 -","2","0.5","BK0022","Antipin, M. Yu.; Boese, R.","Structure of vanadocene in the temperature interval 108–357 K and the nature of the ring disorder","Acta Crystallographica Section B","1996","52","2","314","322","10.1107/S0108768195012213","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101471","5.885","0.001","8.013","0.003","9.251","0.003","90","","88.8","0.02","90","","436.1","0.2","","","297","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 V -","- C10 H10 V -","- C20 H20 V2 -","2","0.5","BK0022","Antipin, M. Yu.; Boese, R.","Structure of vanadocene in the temperature interval 108–357 K and the nature of the ring disorder","Acta Crystallographica Section B","1996","52","2","314","322","10.1107/S0108768195012213","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101472","5.885","0.001","8.013","0.003","9.251","0.003","90","","88.8","0.02","90","","436.1","0.2","","","297","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 V -","- C20 V -","- C40 V2 -","2","0.5","BK0022","Antipin, M. Yu.; Boese, R.","Structure of vanadocene in the temperature interval 108–357 K and the nature of the ring disorder","Acta Crystallographica Section B","1996","52","2","314","322","10.1107/S0108768195012213","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101473","5.934","0.002","8.013","0.004","9.344","0.004","90","","91.52","0.04","90","","444.1","0.3","","","357","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 V -","- C20 V -","- C40 V2 -","2","0.5","BK0022","Antipin, M. Yu.; Boese, R.","Structure of vanadocene in the temperature interval 108–357 K and the nature of the ring disorder","Acta Crystallographica Section B","1996","52","2","314","322","10.1107/S0108768195012213","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101474","5.753","0.002","7.498","0.003","10.649","0.004","105.71","0.03","93.64","0.03","97.63","0.03","435.9","0.3","15","","","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H17 N O2 -","- C8 H17 N O2 -","- C16 H34 N2 O4 -","2","1","BK0025","Luo, J.; Ruble, J. R.; Craven, B. M.; McMullan, R. K.","Effects of H/D substitution on thermal vibrations in piperazinium hexanoate-h~11~,d~11~","Acta Crystallographica Section B","1996","52","2","357","368","10.1107/S0108768195011025","","neutron","","neutron","","","0.076","","","0.09","","","","","2.703","2.703","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101475","5.75","0.001","7.486","0.002","10.622","0.004","105.81","0.02","93.66","0.02","97.66","0.02","433.6","0.2","15","","","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H6 D11 N O2 -","- C8 H6 D11 N O2 -","- C16 H12 D22 N2 O4 -","2","1","BK0025","Luo, J.; Ruble, J. R.; Craven, B. M.; McMullan, R. K.","Effects of H/D substitution on thermal vibrations in piperazinium hexanoate-h~11~,d~11~","Acta Crystallographica Section B","1996","52","2","357","368","10.1107/S0108768195011025","","neutron","1.0462","neutron","","","0.035","","","0.049","","","","","1.373","1.373","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101476","4.251","0.002","4.463","0.003","10.86","0.003","90","","90","","90","","206.04","0.18","293","","","","","","","","","","","3","P 21 n m","P -2 2ac","31","","","","- B4 O7 Pb -","- B4 O7 Pb -","- B8 O14 Pb2 -","2","0.5","BM0004","Corker, D. L.; Glazer, A. M.","Structure and optical non-linearity of PbO.2B~2~O~3~","Acta Crystallographica Section B","1996","52","2","260","265","10.1107/S0108768195013310","","","0.71069","MoKα","","","2.23","","","2.52","","","","","1.07","1.07","","","","","has coordinates","208158","2020-10-21","18:00:00",""
"2101477","4.9839","0.0001","8.5544","0.0002","9.2413","0.0002","90","","90","","90","","393.996","0.015","298","","","","","","","","","","","3","P n a 21","P 2c -2n","","","","","- Al Fe O3 -","- Al Fe O3 -","- Al8 Fe8 O24 -","8","2","BR0041","Bouree, F.; Baudour, J. L.; Elbadraoui, E.; Musso, J.; Laurent, C.; Rousset, A.","Crystal and magnetic structure of piezoelectric, ferrimagnetic and magnetoelectric aluminium iron oxide FeAlO~3~ from neutron powder diffraction","Acta Crystallographica Section B","1996","52","2","217","222","10.1107/S0108768195010330","","neutron","1.2268","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101478","4.9792","0.0001","8.5466","0.0002","9.2345","0.0002","90","","90","","90","","392.976","0.015","30","","","","","","","","","","","3","P n a 21","P 2c -2n","","","","","- Al Fe O3 -","- Al Fe O3 -","- Al8 Fe8 O24 -","8","2","BR0041","Bouree, F.; Baudour, J. L.; Elbadraoui, E.; Musso, J.; Laurent, C.; Rousset, A.","Crystal and magnetic structure of piezoelectric, ferrimagnetic and magnetoelectric aluminium iron oxide FeAlO~3~ from neutron powder diffraction","Acta Crystallographica Section B","1996","52","2","217","222","10.1107/S0108768195010330","","neutron","1.2268","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101479","9.469","0.005","14.752","0.007","10.859","0.005","90","","90","","90","","1516.9","1.3","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C7 H3 Cl N2 O2 -","- C7 H3 Cl N2 O2 -","- C56 H24 Cl8 N16 O16 -","8","1","CR0483","Britton, D.; Cramer, C. J.","Structures of four <i>o</i>-nitrobenzonitriles","Acta Crystallographica Section B","1996","52","2","344","351","10.1107/S0108768195010500","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101480","9.969","0.002","14.728","0.004","10.179","0.003","90","","90","","90","","1494.5","0.7","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C8 H6 N2 O2 -","- C8 H6 N2 O2 -","- C64 H48 N16 O16 -","8","1","CR0483","Britton, D.; Cramer, C. J.","Structures of four <i>o</i>-nitrobenzonitriles","Acta Crystallographica Section B","1996","52","2","344","351","10.1107/S0108768195010500","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101481","7.889","0.002","15.064","0.012","7.311","0.004","90","","118.22","0.03","90","","765.6","0.8","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H3 Cl N2 O2 -","- C7 H3 Cl N2 O2 -","- C28 H12 Cl4 N8 O8 -","4","1","CR0483","Britton, D.; Cramer, C. J.","Structures of four <i>o</i>-nitrobenzonitriles","Acta Crystallographica Section B","1996","52","2","344","351","10.1107/S0108768195010500","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101482","13.081","0.006","9.027","0.004","6.545","0.003","90","","90","","90","","772.8","0.6","","","","","","","","","","","","4","P b c n","-P 2n 2ab","","","","","- C7 H3 N3 O4 -","- C7 H3 N3 O4 -","- C28 H12 N12 O16 -","4","0.5","CR0483","Britton, D.; Cramer, C. J.","Structures of four <i>o</i>-nitrobenzonitriles","Acta Crystallographica Section B","1996","52","2","344","351","10.1107/S0108768195010500","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101483","12.5048","0.0004","3.8724","0.0002","18.5041","0.0007","90","","104.131","0.003","90","","868.92","0.06","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C18 H8 N4 Se4 -","- C18 H8 N4 Se4 -","- C36 H16 N8 Se8 -","2","0.5","CR0487","Corfield, P. W. R.; La Placa, S. J.","Structure of the charge-transfer salt 2,2',5,5'-tetraselenafulvalene‒7,7,8,8-tetracyano-<i>p</i>-quinodimethane (TSeF‒TCNQ)","Acta Crystallographica Section B","1996","52","2","384","387","10.1107/S0108768195012286","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101484","12.0643","0.0003","12.0643","0.0003","12.0643","0.0003","90","","90","","90","","1756","","293","2","","","","","","","","","Val Malenco, Italy","4","I a -3 d","-I 4bd 2c 3","230","","","Andradite","- Ca3 Fe2 O12 Si3 -","- Ca3 Fe2 O12 Si3 -","- Ca24 Fe16 O96 Si24 -","8","0.0833333","CR0497","Pilati, T.; Demartin, F.; Gramaccioli, C. M.","Atomic displacement parameters for garnets: a lattice-dynamical evaluation","Acta Crystallographica Section B","1996","52","2","239","250","10.1107/S0108768195010925","","","0.71073","MoKα","","","0.011","","","0.013","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:08",""
"2101485","13.742","0.002","11.058","0.0007","16.7504","0.0014","90","","96.644","0.011","90","","2528.3","0.5","295","2","295","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C52 H49 F6 P5 Pt2 S -","- C52 H48 F6 P5 Pt2 S -","- C104 H96 F12 P10 Pt4 S2 -","2","0.5","FG0001","Clegg, William; Capdevila, Mercè; González-Duarte, Pilar; Sola, Joan","Structural investigation of homonuclear Pt~2~ and heteronuclear PdPt complexes containing a metal‒metal bond bridged by hydrido and sulfido ligands","Acta Crystallographica Section B","1996","52","2","270","276","10.1107/S0108768195010640","","","0.71073","MoKα","","0.0609","0.0295","","0.0858","0.0683","","","","1.097","1.063","1.063","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101486","13.724","0.004","11.097","0.002","16.74","0.004","90","","96.77","0.03","90","","2531.6","1.1","295","2","295","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C52 H49 F6 P5 Pd Pt S -","- C52 H49 F6 P5 Pd0.974 Pt1.026 S -","- C104 H98 F12 P10 Pd1.948 Pt2.052 S2 -","2","0.5","FG0001","Clegg, William; Capdevila, Mercè; González-Duarte, Pilar; Sola, Joan","Structural investigation of homonuclear Pt~2~ and heteronuclear PdPt complexes containing a metal‒metal bond bridged by hydrido and sulfido ligands","Acta Crystallographica Section B","1996","52","2","270","276","10.1107/S0108768195010640","","","0.71073","MoKα","","0.082","0.0366","","0.1001","0.081","","","","1.046","1.082","1.082","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101487","13.689","0.004","21.857","0.007","16.662","0.005","90","","95.92","0.03","90","","4959","3","160","1","160","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H49 F6 P5 Pt2 S -","- C52 H48.96 F6 P5 Pt2 S -","- C208 H195.84 F24 P20 Pt8 S4 -","4","1","FG0001","Clegg, William; Capdevila, Mercè; González-Duarte, Pilar; Sola, Joan","Structural investigation of homonuclear Pt~2~ and heteronuclear PdPt complexes containing a metal‒metal bond bridged by hydrido and sulfido ligands","Acta Crystallographica Section B","1996","52","2","270","276","10.1107/S0108768195010640","","","0.71073","MoKα","","0.0872","0.0385","","0.1163","0.085","","","","1.099","1.054","1.054","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101488","11.559","0.002","8.018","0.001","11.697","0.002","90","","98.01","0.01","90","","1073.5","0.3","223","","223","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3,5,7-tetranitro-3,7-diazabicyclo[3.3.0]octane","","- C6 H8 N6 O8 -","- C6 H8 N6 O8 -","- C24 H32 N24 O32 -","4","1","FG0002","Ammon, H. L.; Du, Z.; Gilardi, R. D.; Dave, P. R.; Forohar, F.; Axenrod, T.","Structure of 1,3,5,7-tetranitro-3,7-diazabicyclo-[3.3.0]octane. Structure solution from molecular packing analysis","Acta Crystallographica Section B","1996","52","2","352","356","10.1107/S0108768195010652","","","1.54178","CuKα","","","0.038","","","0.044","","","","","2.06","2.06","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101489","9.47","0.003","9.034","0.003","14.08","0.004","90","","95.81","0.03","90","","1198.4","0.6","200","","","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C6 H24 Cl9 N3 Sb2 -","- C8 H32 Cl9 N4 Sb2 -","- C16 H64 Cl18 N8 Sb4 -","2","1","HR0024","Zaleski, J.; Pietraszko, A.","Structure at 200 and 298 K and X-ray investigations of the phase transition at 242 K of [NH~2~(CH~3~)~2~]~3~Sb~2~Cl~9~ (DMACA)","Acta Crystallographica Section B","1996","52","2","287","295","10.1107/S0108768195010615","","","0.71073","MoKα","","","0.0241","","","0.0252","","","","","0.95","0.95","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101490","9.686","0.003","9.037","0.003","14.066","0.004","90","","95.57","0.03","90","","1225.4","0.7","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H24 Cl9 N3 Sb2 -","- C10 H46 Cl9 N8 Sb2 -","- C20 H92 Cl18 N16 Sb4 -","2","0.5","HR0024","Zaleski, J.; Pietraszko, A.","Structure at 200 and 298 K and X-ray investigations of the phase transition at 242 K of [NH~2~(CH~3~)~2~]~3~Sb~2~Cl~9~ (DMACA)","Acta Crystallographica Section B","1996","52","2","287","295","10.1107/S0108768195010615","","","0.71073","MoKα","","","0.0336","","","0.0347","","","","","1.26","1.26","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101491","8.534","0.004","9.352","0.001","12.371","0.002","92.59","0.01","96.16","0.02","116.05","0.02","877.2","0.5","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H22 N4 O6 -","- C16 H22 N4 O6 -","- C32 H44 N8 O12 -","2","1","HU0428","Suresh, C. G.; Gangamani, B. P.; Ganesh, K. N.","The rare <i>trans</i>-<i>syn</i> thymine photodimers: structures of polyoxyethylene-linked bisthymines and the derived <i>trans</i>-<i>syn</i> thymine photodimers. Comparison of the stereochemistry before and after photodimerization","Acta Crystallographica Section B","1996","52","2","376","383","10.1107/S0108768195012006","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101492","7.9","0.004","10.061","0.008","12.048","0.004","71.37","0.05","78.13","0.03","72.17","0.05","857.6","0.9","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H22 N4 O6 -","- C16 H22 N4 O6 -","- C32 H44 N8 O12 -","2","1","HU0428","Suresh, C. G.; Gangamani, B. P.; Ganesh, K. N.","The rare <i>trans</i>-<i>syn</i> thymine photodimers: structures of polyoxyethylene-linked bisthymines and the derived <i>trans</i>-<i>syn</i> thymine photodimers. Comparison of the stereochemistry before and after photodimerization","Acta Crystallographica Section B","1996","52","2","376","383","10.1107/S0108768195012006","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101493","8.558","0.002","11.077","0.002","11.437","0.003","108.57","0.02","94.37","0.02","99.77","0.02","1002.9","0.4","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N4 O6 -","- C20 H22 N4 O6 -","- C40 H44 N8 O12 -","2","1","HU0428","Suresh, C. G.; Gangamani, B. P.; Ganesh, K. N.","The rare <i>trans</i>-<i>syn</i> thymine photodimers: structures of polyoxyethylene-linked bisthymines and the derived <i>trans</i>-<i>syn</i> thymine photodimers. Comparison of the stereochemistry before and after photodimerization","Acta Crystallographica Section B","1996","52","2","376","383","10.1107/S0108768195012006","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101494","10.357","0.004","14.578","0.005","12.676","0.002","90","","97.99","0.03","90","","1895.3","1","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N4 O6 -","- C20 H22 N4 O6 -","- C80 H88 N16 O24 -","4","1","HU0428","Suresh, C. G.; Gangamani, B. P.; Ganesh, K. N.","The rare <i>trans</i>-<i>syn</i> thymine photodimers: structures of polyoxyethylene-linked bisthymines and the derived <i>trans</i>-<i>syn</i> thymine photodimers. Comparison of the stereochemistry before and after photodimerization","Acta Crystallographica Section B","1996","52","2","376","383","10.1107/S0108768195012006","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101495","34.845","0.009","10.013","0.004","10.918","0.004","90","","90","","90","","3809","2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H23 N3 O2 -","- C21 H23 N3 O2 -","- C168 H184 N24 O16 -","8","1","KA0029","André, C.; Luger, P.; Lotz, S.; Fehlhammer, W.-P.","The crystal packing modes of three sterically overcrowded imidazole derivatives","Acta Crystallographica Section B","1996","52","2","369","375","10.1107/S0108768195011293","","","1.5418","CuKα","","","0.061","","","0.038","","","","","1.84","1.84","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101496","8.321","0.002","12.411","0.004","17.008","0.006","90","","90","","90","","1756.4","0.9","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N3 O2 -","- C19 H21 N3 O2 -","- C76 H84 N12 O8 -","4","1","KA0029","André, C.; Luger, P.; Lotz, S.; Fehlhammer, W.-P.","The crystal packing modes of three sterically overcrowded imidazole derivatives","Acta Crystallographica Section B","1996","52","2","369","375","10.1107/S0108768195011293","","","1.5418","CuKα","","","0.035","","","0.033","","","","","4.06","4.06","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101497","16.607","0.002","11.427","0.003","9.668","0.002","90","0.02","114.38","0.02","90","0.02","1671.1","0.6","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C19 H21 N3 -","- C19 H21 N3 -","- C76 H84 N12 -","4","1","KA0029","André, C.; Luger, P.; Lotz, S.; Fehlhammer, W.-P.","The crystal packing modes of three sterically overcrowded imidazole derivatives","Acta Crystallographica Section B","1996","52","2","369","375","10.1107/S0108768195011293","","","1.5418","CuKα","","","0.038","","","0.037","","","","","4.52","4.52","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101498","16.393","0.007","9.235","0.008","11.176","0.012","90","","128.01","0.07","90","","1333","2","293","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C18 H36 Cl2 N2 Pd2 S4 -","- C18 H36 Cl2 N2 Pd2 S4 -","- C36 H72 Cl4 N4 Pd4 S8 -","2","0.5","LI0206","Nyburg, S. C.","Structure of a twin initially solved from a partial data set: di-μ-chlorobis-[di-<i>n</i>-butyldithiocarbamato]dipalladium","Acta Crystallographica Section B","1996","52","2","328","331","10.1107/S0108768195012808","","","0.7107","Mo","","","0.053","","","0.06","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101499","3.56658","0.00007","3.56658","0.00007","3.56658","0.00007","90","","90","","90","","45.3687","0.0015","","","","","","","","","","","","1","F d -3 m","-F 4vw 2vw 3","","","","","- C -","- C -","- C8 -","8","","OH0046","Yamanaka, T.; Morimoto, S.","Isotope effect on anharmonic thermal atomic vibration and κ refinement of ^12^C and ^3^C diamond","Acta Crystallographica Section B","1996","52","2","232","238","10.1107/S0108768195010810","","","0.69715","synchroton","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"2101500","12.206","0.007","14.451","0.006","6.25","0.004","90","","90","","90","","1102.4","1.1","294","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C4 H16 N Na O10 -","- C4 H16 N Na O10 -","- C16 H64 N4 Na4 O40 -","4","1","OH0054","Suzuki, E.; Muta, T.; Nozaki, R.; Shiozaki, Y.","Modification of crystal structure of ammonium Rochelle salt [NaNH~4~(+)-C~4~H~4~O~6~.4H~2~O] owing to the replacement of NH~4~ ions with K ions","Acta Crystallographica Section B","1996","52","2","296","302","10.1107/S0108768195010822","","","0.70926","MoKα~1~","","","0.038","","","0.032","","","","","1.2116","1.2116","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101501","12.172","0.004","14.421","0.004","6.239","0.002","90","","90","","90","","1095.2","0.6","294","","","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C4 H15.76 K0.06 N0.94 Na O10 -","- C4 H16 N Na O10 -","- C16 H64 N4 Na4 O40 -","4","1","OH0054","Suzuki, E.; Muta, T.; Nozaki, R.; Shiozaki, Y.","Modification of crystal structure of ammonium Rochelle salt [NaNH~4~(+)-C~4~H~4~O~6~.4H~2~O] owing to the replacement of NH~4~ ions with K ions","Acta Crystallographica Section B","1996","52","2","296","302","10.1107/S0108768195010822","","","0.70926","MoKα~1~","","","0.0398","","","0.0298","","","","","0.7314","0.7314","","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2101502","12.165","0.009","14.42","0.007","6.239","0.004","90","","90","","90","","1094","1","294","","","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C4 H15.6 K0.1 N0.9 Na O10 -","- C4 H16 N Na O10 -","- C16 H64 N4 Na4 O40 -","4","1","OH0054","Suzuki, E.; Muta, T.; Nozaki, R.; Shiozaki, Y.","Modification of crystal structure of ammonium Rochelle salt [NaNH~4~(+)-C~4~H~4~O~6~.4H~2~O] owing to the replacement of NH~4~ ions with K ions","Acta Crystallographica Section B","1996","52","2","296","302","10.1107/S0108768195010822","","","0.70926","MoKα~1~","","","0.0355","","","0.0272","","","","","0.8604","0.8604","","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2101504","7.313","0.004","17.156","0.004","7.64","0.004","90","","92.71","0.05","90","","957.5","0.8","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C10 H8 Cl N O2 -","- C10 H8 Cl N O2 -","- C40 H32 Cl4 N4 O8 -","4","1","SE0178","Nigović, B.; Kojić-Prodić, B.; Antolić, S.; Tomić, S.; Puntarec, V.; Cohen, J. D.","Structural studies on monohalogenated derivatives of the phytohormone indole-3-acetic acid (auxin)","Acta Crystallographica Section B","1996","52","2","332","343","10.1107/S010876819500838X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101505","19.141","0.004","5.154","0.002","10.323","0.003","90","","116.23","0.02","90","","913.5","0.5","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C10 H8 Cl N O2 -","- C10 H8 Cl N O2 -","- C40 H32 Cl4 N4 O8 -","4","1","SE0178","Nigović, B.; Kojić-Prodić, B.; Antolić, S.; Tomić, S.; Puntarec, V.; Cohen, J. D.","Structural studies on monohalogenated derivatives of the phytohormone indole-3-acetic acid (auxin)","Acta Crystallographica Section B","1996","52","2","332","343","10.1107/S010876819500838X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101506","61.08","0.01","12.115","0.007","7.674","0.005","90","","90","","90","","5679","5","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C10 H8 Cl N O2 -","- C10 H8 Cl N O2 -","- C240 H192 Cl24 N24 O48 -","24","3","SE0178","Nigović, B.; Kojić-Prodić, B.; Antolić, S.; Tomić, S.; Puntarec, V.; Cohen, J. D.","Structural studies on monohalogenated derivatives of the phytohormone indole-3-acetic acid (auxin)","Acta Crystallographica Section B","1996","52","2","332","343","10.1107/S010876819500838X","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101507","20.244","0.005","4.829","0.002","10.728","0.004","90","","116.3","0.01","90","","940.2","0.6","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C10 H8 Cl N O2 -","- C10 H8 Cl N O2 -","- C40 H32 Cl4 N4 O8 -","4","1","SE0178","Nigović, B.; Kojić-Prodić, B.; Antolić, S.; Tomić, S.; Puntarec, V.; Cohen, J. D.","Structural studies on monohalogenated derivatives of the phytohormone indole-3-acetic acid (auxin)","Acta Crystallographica Section B","1996","52","2","332","343","10.1107/S010876819500838X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101508","5.645","0.003","9.713","0.004","10.019","0.004","116.02","0.03","92.67","0.05","100.12","0.04","481.2","0.4","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Br N O2 -","- C10 H8 Br N O2 -","- C20 H16 Br2 N2 O4 -","2","1","SE0178","Nigović, B.; Kojić-Prodić, B.; Antolić, S.; Tomić, S.; Puntarec, V.; Cohen, J. D.","Structural studies on monohalogenated derivatives of the phytohormone indole-3-acetic acid (auxin)","Acta Crystallographica Section B","1996","52","2","332","343","10.1107/S010876819500838X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101509","8.939","0.002","8.939","0.002","10.893","0.002","90","","90","","120","","753.8","0.3","298","","","","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C4 H8 N O10 Ti -","- C4 H8 N O10 Ti -","- C12 H24 N3 O30 Ti3 -","3","0.25","AS0695","Sheu, H. S.; Wu, J. C.; Wang, Y.; English, R. B.","Charge density studies in NH~4~[Ti(C~2~O~4~)~2~].2H~2~O crystals at two wavelengths","Acta Crystallographica Section B","1996","52","3","458","464","10.1107/S0108768195012900","","","0.7107","MoKα","","","0.031","","","0.028","","","","","1.82","1.82","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101510","8.931","0.002","8.931","0.002","10.893","0.001","90","","90","","120","","752.5","0.2","130","","","","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C4 H8 N O10 Ti -","- C4 H8 N O10 Ti -","- C12 H24 N3 O30 Ti3 -","3","0.25","AS0695","Sheu, H. S.; Wu, J. C.; Wang, Y.; English, R. B.","Charge density studies in NH~4~[Ti(C~2~O~4~)~2~].2H~2~O crystals at two wavelengths","Acta Crystallographica Section B","1996","52","3","458","464","10.1107/S0108768195012900","","","0.7107","MoKα","","","0.025","","","0.024","","","","","2.68","2.68","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101511","8.947","0.002","8.947","0.002","10.898","0.001","90","","90","","120","","755.5","0.2","298","","","","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C4 H8 N O10 Ti -","- C4 H8 N O10 Ti -","- C12 H24 N3 O30 Ti3 -","3","0.25","AS0695","Sheu, H. S.; Wu, J. C.; Wang, Y.; English, R. B.","Charge density studies in NH~4~[Ti(C~2~O~4~)~2~].2H~2~O crystals at two wavelengths","Acta Crystallographica Section B","1996","52","3","458","464","10.1107/S0108768195012900","","","0.5609","AgKα","","","0.035","","","0.03","","","","","1.86","1.86","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101512","10.605","0.001","10.605","0.001","10.605","0.001","90","","90","","90","","1192.7","0.19","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","","","- Ho2 O3 -","- Ho2 O3 -","- Ho32 O48 -","16","0.333333","AS0696","Maslen, E. N.; Streltsov, V. A.; Ishizawa, N.","A synchrotron X-ray study of the electron density in <i>C</i>-type rare earth oxides","Acta Crystallographica Section B","1996","52","3","414","422","10.1107/S0108768195013371","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101513","12.681","0.003","12.681","0.003","16.124","0.005","90","","90","","120","","2245.5","1","","","","","","","","","","","","3","P 3 1 c","P 3 -2c","","","","","- C29 H29 Ta -","- C40 H42 Ta -","- C160 H168 Ta4 -","4","0.666667","BK0026","Schaefer, W. P.; Marsh, R. E.; Rodriguez, G.; Bazan, G. C.","A tribenzylidenemethane‒tantalum compound: some experiences with `inversion twinning'","Acta Crystallographica Section B","1996","52","3","465","470","10.1107/S0108768195013255","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101514","5.503","0.004","5.495","0.004","25.531","0.005","90","","90","","90","","772","0.8","","","","","","","","","","","","4","A 21 a m","A -2 2a","36","","","","- Bi2 Nb2 O9 Pb -","- Bi2 Nb2 O9 Pb -","- Bi8 Nb8 O36 Pb4 -","4","0.5","BR0024","Srikanth, V.; Idink, H.; White, W. B.; Subbarao, E. C.; Rajagopal, H.; Sequeira, A.","Cation disorder in ferroelectric PbBi~2~Nb~2~O~9~","Acta Crystallographica Section B","1996","52","3","432","439","10.1107/S0108768195015072","","neutron","1.216","neutron","","","","","","","","","","","","","","","","","has coordinates","198481","2020-10-21","18:00:00",""
"2101515","5.504","0.003","5.487","0.003","25.511","0.005","90","","90","","90","","770.4","0.6","","","","","","","","","","","","4","A 21 a m","A -2 2a","36","","","","- Bi2 Nb2 O9 Pb -","- Bi2 Nb2 O9 Pb -","- Bi8 Nb8 O36 Pb4 -","4","0.5","BR0024","Srikanth, V.; Idink, H.; White, W. B.; Subbarao, E. C.; Rajagopal, H.; Sequeira, A.","Cation disorder in ferroelectric PbBi~2~Nb~2~O~9~","Acta Crystallographica Section B","1996","52","3","432","439","10.1107/S0108768195015072","","neutron","1.216","neutron","","","","","","","","","","","","","","","","","has coordinates","198481","2020-10-21","18:00:00",""
"2101516","8.871","0.003","6.78","0.003","5.023","0.001","90","","90","","90","","302.11","0.18","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","α-sodium cobalt phosphate","","- Co Na O4 P -","- Co Na O4 P -","- Co4 Na4 O16 P4 -","4","0.5","BR0046","Hammond, R.; Barbier, J.","Structural chemistry of NaCoPO~4~","Acta Crystallographica Section B","1996","52","3","440","449","10.1107/S0108768195016259","","","0.56086","AgKα","","0.0602","0.0308","","0.0653","0.0603","","","","0.797","0.936","0.936","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101517","10.166","0.001","10.166","0.001","23.881","0.005","90","","90","","120","","2137.4","0.5","293","2","293","2","","","","","","","","4","P 65","P 65","170","","/b-sodium cobalt phosphate","","- Co Na O4 P -","- Co Na O4 P -","- Co24 Na24 O96 P24 -","24","4","BR0046","Hammond, R.; Barbier, J.","Structural chemistry of NaCoPO~4~","Acta Crystallographica Section B","1996","52","3","440","449","10.1107/S0108768195016259","","","0.56086","AgKα","","0.0768","0.0456","","0.0868","0.0794","","","","0.939","1.024","1.024","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101518","8.4668","0.0003","8.5533","0.0004","12.4657","0.0006","90","","90.341","0.003","90","","902.74","0.07","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C8 H4 N4 O6 -","- C8 H4 N4 O6 -","- C32 H16 N16 O24 -","4","1","CR0473","Kubicki, M.; Kindopp, T. W.; Capparelli, M. V.; Codding, P. W.","Hydrogen-bond patterns in 1,4-dihydro-2,3-quinoxalinediones: ligands for the glycine modulatory site on the NMDA receptor","Acta Crystallographica Section B","1996","52","3","487","499","10.1107/S0108768195011773","","","1.54178","CuKα","","","0.0314","","","0.0874","","","","","1.051","1.051","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101519","6.9774","0.0006","13.083","0.001","20.401","0.001","90","","90","","90","","1862.3","0.2","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C8 H4 N4 O6 -","- C8 H4 N4 O6 -","- C64 H32 N32 O48 -","8","2","CR0473","Kubicki, M.; Kindopp, T. W.; Capparelli, M. V.; Codding, P. W.","Hydrogen-bond patterns in 1,4-dihydro-2,3-quinoxalinediones: ligands for the glycine modulatory site on the NMDA receptor","Acta Crystallographica Section B","1996","52","3","487","499","10.1107/S0108768195011773","","","1.54178","CuKα","","","0.035","","","0.0922","","","","","1.064","1.064","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101520","7.4744","0.0009","11.9265","0.0009","10.491","0.0005","90","","97.513","0.007","90","","927.18","0.14","293","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H7 N3 O5 -","- C8 H7 N3 O5 -","- C32 H28 N12 O20 -","4","1","CR0473","Kubicki, M.; Kindopp, T. W.; Capparelli, M. V.; Codding, P. W.","Hydrogen-bond patterns in 1,4-dihydro-2,3-quinoxalinediones: ligands for the glycine modulatory site on the NMDA receptor","Acta Crystallographica Section B","1996","52","3","487","499","10.1107/S0108768195011773","","","1.54178","CuKα","","","0.0506","","","0.1431","","","","","1.073","1.073","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101521","7.2066","0.0005","8.4502","0.0005","14.4709","0.0007","90","","99.707","0.005","90","","868.62","0.09","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cl2 N2 O2 -","- C8 H4 Cl2 N2 O2 -","- C32 H16 Cl8 N8 O8 -","4","1","CR0473","Kubicki, M.; Kindopp, T. W.; Capparelli, M. V.; Codding, P. W.","Hydrogen-bond patterns in 1,4-dihydro-2,3-quinoxalinediones: ligands for the glycine modulatory site on the NMDA receptor","Acta Crystallographica Section B","1996","52","3","487","499","10.1107/S0108768195011773","","","1.54178","CuKα","","","0.028","","","0.0771","","","","","1.079","1.079","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101522","6.1501","0.0004","8.3787","0.0004","13.7356","0.001","107.407","0.005","99.304","0.006","95.032","0.004","659.5","0.08","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 Cl2 N3 O3 -","- C11 H11 Cl2 N3 O3 -","- C22 H22 Cl4 N6 O6 -","2","1","CR0473","Kubicki, M.; Kindopp, T. W.; Capparelli, M. V.; Codding, P. W.","Hydrogen-bond patterns in 1,4-dihydro-2,3-quinoxalinediones: ligands for the glycine modulatory site on the NMDA receptor","Acta Crystallographica Section B","1996","52","3","487","499","10.1107/S0108768195011773","","","1.54178","CuKα","","","0.0425","","","0.1276","","","","","1.078","1.078","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101523","8.856","0.001","8.856","0.001","7.017","0.002","90","","90","","120","","476.6","0.2","113","1","","","","","","","","","","6","P -3 m 1","-P 3 2""","","","","","- C8 H24 Co Li N8 O12 -","- C8 H24 Co Li N8 O12 -","- C8 H24 Co Li N8 O12 -","1","0.0833333","CR0508","Bianchi, R.; Gatti, C.; Adovasio, V.; Nardelli, M.","Theoretical and experimental (113 K) electron-density study of lithium bis(tetramethylammonium) hexanitrocobaltate(III)","Acta Crystallographica Section B","1996","52","3","471","478","10.1107/S0108768195016879","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101524","8.856","0.001","8.856","0.001","7.017","0.002","90","","90","","120","","476.6","0.2","113","1","","","","","","","","","","6","P -3 m 1","-P 3 2""","","","","","- C8 H24 Co Li N8 O12 -","- C8 H24 Co Li N8 O12 -","- C8 H24 Co Li N8 O12 -","1","0.0833333","CR0508","Bianchi, R.; Gatti, C.; Adovasio, V.; Nardelli, M.","Theoretical and experimental (113 K) electron-density study of lithium bis(tetramethylammonium) hexanitrocobaltate(III)","Acta Crystallographica Section B","1996","52","3","471","478","10.1107/S0108768195016879","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101526","7.204","0.006","13.67","0.011","6.041","0.006","90","","90","","90","","594.9","0.9","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C4 H8 O3 S -","- C4 H8 O3 S -","- C16 H32 O12 S4 -","4","1","HU0421","Hellier, D.G.; Luger, P.; Buschmann, J.","Chemistry of the S=O bond. 13. Structures of isomers 1 (I) and 2 (II) of 4-methyl-1,3,2-dioxathiane 2-oxide and 1,3,2-dioxathiepane 2-oxide (III) at 256, 240 and 228 K","Acta Crystallographica Section B","1996","52","3","505","508","10.1107/S0108768195012912","","","0.71068","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101527","18.238","0.006","10.265","0.003","6.616","0.002","90","","90","","90","","1238.6","0.7","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C4 H8 O3 S -","- C4 H8 O3 S -","- C32 H64 O24 S8 -","8","2","HU0421","Hellier, D.G.; Luger, P.; Buschmann, J.","Chemistry of the S=O bond. 13. Structures of isomers 1 (I) and 2 (II) of 4-methyl-1,3,2-dioxathiane 2-oxide and 1,3,2-dioxathiepane 2-oxide (III) at 256, 240 and 228 K","Acta Crystallographica Section B","1996","52","3","505","508","10.1107/S0108768195012912","","","0.71068","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101528","6.06","0.003","11.185","0.008","9.186","0.004","90","","101.32","0.04","90","","610.5","0.6","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 O3 S -","- C4 H8 O3 S -","- C16 H32 O12 S4 -","4","1","HU0421","Hellier, D.G.; Luger, P.; Buschmann, J.","Chemistry of the S=O bond. 13. Structures of isomers 1 (I) and 2 (II) of 4-methyl-1,3,2-dioxathiane 2-oxide and 1,3,2-dioxathiepane 2-oxide (III) at 256, 240 and 228 K","Acta Crystallographica Section B","1996","52","3","505","508","10.1107/S0108768195012912","","","0.71068","MoKα","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101529","7.81","0.002","15.007","0.003","18.326","0.003","90","","90","","90","","2147.9","0.8","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C21 H25 Cl N2 O4 -","- C21 H25 Cl N2 O4 -","- C84 H100 Cl4 N8 O16 -","4","1","HU0429","Declercq, J.-P.; Dubourg, A.; Payrastre, C.; Mazières, M.-R.; Madaule, Y.; Wolf, J.-G.","Structure of 1,5-bis(dimethylamino)-1,5-diphenylpentadienylium perchlorate and modelling of pentadienylium salts (cyanine dyes)","Acta Crystallographica Section B","1996","52","3","500","504","10.1107/S0108768195012559","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101530","6.234","0.002","15.628","0.003","30.749","0.01","90","","90","","90","","2995.7","1.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H50 O6 -","- C27 H50 O6 -","- C108 H200 O24 -","4","1","NA0072","Suwińska, K.; Kutner, A.","Crystal and molecular structure of 1,25-dihydroxycholecalciferol","Acta Crystallographica Section B","1996","52","3","550","554","10.1107/S0108768195017071","","","1.54178","CuKα","","0.2232","0.0803","","0.2751","0.1854","","","","0.974","1.212","1.212","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101531","21.916","0.004","15.207","0.002","14.052","0.002","90","","101.56","0.01","90","","4588.2","1.2","295","","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(2-Methoxyphenyl)-4-[-(2-phtalimido)butylpiperazine hydrobromide emihydrate (NAN-190.HBr)","","- C23 H29 Br N3 O3.5 -","- C23 H29 Br N3 O3.5 -","- C184 H232 Br8 N24 O28 -","8","1","NA0073","Dalpiaz, A.; Ferretti, V.; Gilli, P.; Bertolasi, V.","Stereochemistry of serotonin receptor ligands from crystallographic data. Crystal structures of NAN-190.HBr, 1-phenylbiguanide, MDL 72222 and mianserin.HCl and selectivity criteria towards 5-HT~1~, 5-HT~2~ and 5-HT~3~ receptor subtypes","Acta Crystallographica Section B","1996","52","3","509","518","10.1107/S0108768195014765","","","0.71069","MoKα","","","0.035","","","0.036","","","","","1.37","1.37","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101532","9.781","0.002","35.04","0.005","11","0.002","90","","97.72","0.01","90","","3735.8","1.2","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-Phenyl-imidocarbonimidic diamide (1-Phenylbiguanide)","","- C8 H11 N5 -","- C8 H11 N5 -","- C128 H176 N80 -","16","4","NA0073","Dalpiaz, A.; Ferretti, V.; Gilli, P.; Bertolasi, V.","Stereochemistry of serotonin receptor ligands from crystallographic data. Crystal structures of NAN-190.HBr, 1-phenylbiguanide, MDL 72222 and mianserin.HCl and selectivity criteria towards 5-HT~1~, 5-HT~2~ and 5-HT~3~ receptor subtypes","Acta Crystallographica Section B","1996","52","3","509","518","10.1107/S0108768195014765","","","0.71069","MoKα","","","0.07","","","0.073","","","","","1.63","1.63","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101533","8.48","0.003","9.84","0.003","10.158","0.004","90.04","0.03","111.77","0.03","105.07","0.03","755.6","0.5","295","","295","","","","","","","","","5","P -1","-P 1","2","","8-Methyl-8-azabiciclo[3.2.1]oct-3-yl-3,5-dichlorobenzoate (MDL 72222)","","- C15 H17 Cl2 N O2 -","- C15 H17 Cl2 N O2 -","- C30 H34 Cl4 N2 O4 -","2","1","NA0073","Dalpiaz, A.; Ferretti, V.; Gilli, P.; Bertolasi, V.","Stereochemistry of serotonin receptor ligands from crystallographic data. Crystal structures of NAN-190.HBr, 1-phenylbiguanide, MDL 72222 and mianserin.HCl and selectivity criteria towards 5-HT~1~, 5-HT~2~ and 5-HT~3~ receptor subtypes","Acta Crystallographica Section B","1996","52","3","509","518","10.1107/S0108768195014765","","","0.71069","MoKα","","","0.07","","","0.082","","","","","1.73","1.73","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101534","9.014","0.002","14.917","0.002","12.412","0.002","90","","108.84","0.01","90","","1579.5","0.5","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1,2,3,4,10,14b-Hexahydro-2-methyldibenzo[c,f]pyrizino [1,2-a]azepine hydrochloride (Mianserin.HCl)","","- C18 H21 Cl N2 -","- C18 H21 Cl N2 -","- C72 H84 Cl4 N8 -","4","1","NA0073","Dalpiaz, A.; Ferretti, V.; Gilli, P.; Bertolasi, V.","Stereochemistry of serotonin receptor ligands from crystallographic data. Crystal structures of NAN-190.HBr, 1-phenylbiguanide, MDL 72222 and mianserin.HCl and selectivity criteria towards 5-HT~1~, 5-HT~2~ and 5-HT~3~ receptor subtypes","Acta Crystallographica Section B","1996","52","3","509","518","10.1107/S0108768195014765","","","0.71069","MoKα","","","0.063","","","0.051","","","","","1.61","1.61","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101535","8.3922","0.0003","8.3922","0.0003","8.3922","0.0003","90","","90","","90","","591.05","0.04","","","","","","","","","","","","2","F d -3 m {origin @ centre (-3m)}","-F 4vw 2vw 3","","","","","- Fe3 O4 -","- Fe3 O4 -","- Fe24 O32 -","8","","OH0051","Okudera, H.; Kihara, K.; Matsumoto, T.","Temperature dependence of structure parameters in natural magnetite: single crystal X-ray studies from 126 to 773 K","Acta Crystallographica Section B","1996","52","3","450","457","10.1107/S0108768196000845","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101536","7.333","0.006","7.93","0.02","10.81","0.02","90","","98","0.1","90","","622.5","","130","5","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H19 N4 O7 P -","- C6 H19 N4 O7 P -","- C12 H38 N8 O14 P2 -","2","1","PA0310","Espinosa, E.; Lecomte, C.; Molins, E.; Veintemillas, S.; Cousson, A.; Paulus, W.","Electron density study of a new non-linear optical material: <small>L</small>-arginine phosphate monohydrate (LAP). Comparison between <i>X</i>‒<i>X</i> and <i>X</i>‒(<i>X</i> + <i>N</i>) refinements","Acta Crystallographica Section B","1996","52","3","519","534","10.1107/S0108768195015205","","neutron","0.8302","neutron","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101537","7.319","0.001","7.912","0.002","10.779","0.003","90","","98.05","0.02","90","","618","","130","3","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H19 N4 O7 P -","- C6 H19 N4 O7 P -","- C12 H38 N8 O14 P2 -","2","1","PA0310","Espinosa, E.; Lecomte, C.; Molins, E.; Veintemillas, S.; Cousson, A.; Paulus, W.","Electron density study of a new non-linear optical material: <small>L</small>-arginine phosphate monohydrate (LAP). Comparison between <i>X</i>‒<i>X</i> and <i>X</i>‒(<i>X</i> + <i>N</i>) refinements","Acta Crystallographica Section B","1996","52","3","519","534","10.1107/S0108768195015205","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101538","7.319","0.001","7.912","0.002","10.779","0.003","90","","98.05","0.02","90","","618","","130","3","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H19 N4 O7 P -","- C6 H19 N4 O7 P -","- C12 H38 N8 O14 P2 -","2","1","PA0310","Espinosa, E.; Lecomte, C.; Molins, E.; Veintemillas, S.; Cousson, A.; Paulus, W.","Electron density study of a new non-linear optical material: <small>L</small>-arginine phosphate monohydrate (LAP). Comparison between <i>X</i>‒<i>X</i> and <i>X</i>‒(<i>X</i> + <i>N</i>) refinements","Acta Crystallographica Section B","1996","52","3","519","534","10.1107/S0108768195015205","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101539","7.7294","0.0001","4.24697","0.00007","10.7374","0.0001","90","","90","","90","","352.472","0.008","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- H I O Sr -","- H I O Sr -","- H4 I4 O4 Sr4 -","4","0.5","SE0177","Peter, S.; Cockcroft, J. K.; Roisnel, T.; Lutz, H. D.","Distance limits of OH···<i>Y</i> hydrogen bonds (<i>Y</i> = Cl, Br, I) in solid hydroxides, structure refinement of laurionite-type Ba(OD)I, Sr(OD)I and Sr(OH)I by neutron and synchrotron X-ray powder diffraction","Acta Crystallographica Section B","1996","52","3","423","427","10.1107/S0108768195013449","","","0.85","synchrotron","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2101540","10.674","0.001","10.79","0.001","10.543","0.001","90","","99.97","0.01","90","","1195.9","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 K2 O7 S2 -","- C7 H8 K2 O7 S2 -","- C28 H32 K8 O28 S8 -","4","1","SE0184","Nagel, N.; Eller, P.; Bock, H.","Benzene-1,2-disulfonate dianion: another compound with meshed cogwheel substituents?","Acta Crystallographica Section B","1996","52","3","562","568","10.1107/S0108768195014170","","","0.71073","MoKα","","0.0511","0.0389","","0.1095","0.097","","","","1.063","1.083","1.083","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101541","10.891","0.002","6.657","0.002","21.212","0.003","90","","101.64","0.02","90","","1506.3","0.6","200","2","200","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C10 H17 K N O6.5 S2 -","- C10 H17 K N O6.5 S2 -","- C40 H68 K4 N4 O26 S8 -","4","1","SE0184","Nagel, N.; Eller, P.; Bock, H.","Benzene-1,2-disulfonate dianion: another compound with meshed cogwheel substituents?","Acta Crystallographica Section B","1996","52","3","562","568","10.1107/S0108768195014170","","","0.71073","MoKα","","0.0449","0.0329","","0.1057","0.0931","","","","1.047","1.109","1.109","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101542","10.717","","7.762","","7.418","","71.078","","82.838","","78.941","","571.585","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C11 H14 N6 -","- C11 H14 N6 -","- C22 H28 N12 -","2","1","SH0073","Karfunkel, H. R.; Wu, Z. J.; Burkhard, A.; Rihs, G.; Sinnreich, D.; Buerger, H. M.; Stanek, J.","Crystal packing calculations and Rietveld refinement in elucidating the crystal structures of two modifications of 4-amidinoindanone guanylhydrazone","Acta Crystallographica Section B","1996","52","3","555","561","10.1107/S0108768195017174","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101543","8.09","0.001","7.929","0.001","17.518","0.002","90","","90","0.01","90","","1123.7","0.2","296","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 N6 -","- C11 H14 N6 -","- C44 H56 N24 -","4","1","SH0073","Karfunkel, H. R.; Wu, Z. J.; Burkhard, A.; Rihs, G.; Sinnreich, D.; Buerger, H. M.; Stanek, J.","Crystal packing calculations and Rietveld refinement in elucidating the crystal structures of two modifications of 4-amidinoindanone guanylhydrazone","Acta Crystallographica Section B","1996","52","3","555","561","10.1107/S0108768195017174","","","1.5418","CuKα","","","0.056","","","0.063","","","","","1.18","1.18","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101544","18.086","0.001","6.983","0.001","14.363","0.001","90","","90","","90","","1814","0.3","100","2","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H20 Cl2 N2 O4 -","- C18 H20 Cl2 N2 O4 -","- C72 H80 Cl8 N8 O16 -","4","0.5","AN0523","Wozniak, K.; Wilson, C. C.; Knight, K. S.; Jones, W.; Grech, E.","Neutron diffraction of a complex of 1,8-bis(dimethylamino)naphthalene with 1,2-dichloromaleic acid","Acta Crystallographica Section B","1996","52","4","691","696","10.1107/S0108768196003023","","neutron","","neutron","","0.0718","0.0703","","0.1509","0.1428","","","","","1.067","1.067","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101545","12.1793","0.0007","5.6591","0.0005","7.1323","0.0004","90","0.007","90","0.005","90","0.007","491.59","0.06","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","diyttrium_barium_copper(II)_pentoxide","","- Ba Cu O5 Y2 -","- Ba Cu O5 Y2 -","- Ba4 Cu4 O20 Y8 -","4","0.5","AS0699","Hsu, Rebekah M.; Maslen, Edward N.; Ishizawa, Nobuo","A synchrotron X-ray study of the electron density in Y~2~BaCuO~5~","Acta Crystallographica Section B","1996","52","4","569","575","10.1107/S0108768196000250","","","0.9","xray_wiggler","","0.02","0.02","","0.02","0.02","","","","3.087","3.092","3.092","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101546","13.226","0.001","7.871","0.002","14.028","0.001","90","","104.71","0.01","90","","1412.5","0.4","298","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H51 N O5 -","- C28 H51 N O5 -","- C56 H102 N2 O10 -","2","1","AS0702","Briozzo, P.; Kondo, T.; Sada, K.; Miyata, M.; Miki, K.","Structures of three inclusion compounds of cholanamide with either (<i>S</i>)-enantiomer, (<i>R</i>)-enantiomer or an optically resolved mixture of butan-2-ol","Acta Crystallographica Section B","1996","52","4","728","733","10.1107/S0108768196004569","","","0.71073","MoKα","","","0.05","","","0.06","","","","","2.3","2.3","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101547","13.286","0.001","7.853","0.001","14.075","0.001","90","","105.12","0.01","90","","1417.7","0.2","298","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H51 N O5 -","- C28 H51 N O5 -","- C56 H102 N2 O10 -","2","1","AS0702","Briozzo, P.; Kondo, T.; Sada, K.; Miyata, M.; Miki, K.","Structures of three inclusion compounds of cholanamide with either (<i>S</i>)-enantiomer, (<i>R</i>)-enantiomer or an optically resolved mixture of butan-2-ol","Acta Crystallographica Section B","1996","52","4","728","733","10.1107/S0108768196004569","","","0.71073","MoKα","","","0.068","","","0.082","","","","","2.63","2.63","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101548","13.251","0.001","7.869","0.001","14.045","0.001","90","","104.82","0.01","90","","1415.8","0.2","298","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H51 N O5 -","- C28 H53 N O5 -","- C56 H106 N2 O10 -","2","1","AS0702","Briozzo, P.; Kondo, T.; Sada, K.; Miyata, M.; Miki, K.","Structures of three inclusion compounds of cholanamide with either (<i>S</i>)-enantiomer, (<i>R</i>)-enantiomer or an optically resolved mixture of butan-2-ol","Acta Crystallographica Section B","1996","52","4","728","733","10.1107/S0108768196004569","","","0.71073","MoKα","","","0.051","","","0.058","","","","","2.06","2.06","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101549","4.1198","0.0007","4.1198","0.0007","6.8831","0.0015","90","0.01","90","0.01","90","0.01","116.83","0.04","293","","293","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Lanthanum_oxychloride","","- Cl La O -","- Cl La O -","- Cl2 La2 O2 -","2","0.125","AS0704","E. N. Maslen; V. A. Streltsov; N. R. Streltsova; N. Ishizawa","Synchrotron X-ray electron density in the layered LaOCl structure","Acta Crystallographica Section B","1996","52","4","576","579","10.1107/S0108768196003084","","","0.7","synchrotron","","0.011","0.011","","0.011","0.011","","","","1.985","1.985","1.985","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101550","11.376","0.002","6.4421","0.0008","14.419","0.003","90","","90.01","0.02","90","","1056.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3{5}-(2',5'-dimethoxyphenyl)pyrazole (III)","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C44 H48 N8 O8 -","4","1","BM0005","Halcrow, M. A.; Powell, H. R.; Duer, M. J.","Tautomerism in 3{5}-(dimethoxyphenyl)pyrazoles","Acta Crystallographica Section B","1996","52","4","746","752","10.1107/S0108768196005204","","","1.54178","CuKα","","0.0407","0.0372","","0.1588","0.1471","","","","0.901","0.872","0.872","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101551","30.524","0.003","8.9917","0.0012","8.1542","0.0009","90","","101.057","0.008","90","","2196.5","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3{5}-(3',4'-dimethoxyphenyl)pyrazole hemihydrate (IV.1/2H2O)","","- C11 H13 N2 O2.5 -","- C11 H13 N2 O2.5 -","- C88 H104 N16 O20 -","8","1","BM0005","Halcrow, M. A.; Powell, H. R.; Duer, M. J.","Tautomerism in 3{5}-(dimethoxyphenyl)pyrazoles","Acta Crystallographica Section B","1996","52","4","746","752","10.1107/S0108768196005204","","","1.54178","CuKα","","0.0423","0.0377","","0.1121","0.1058","","","","0.887","0.893","0.893","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101552","12.392","0.002","16.569","0.003","19.257","0.004","110.22","0.03","90.02","0.03","97.1","0.03","3677.8","1.4","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C4 H4 F8 N3 O2 P3 -","- C4 H4 F8 N3 O2 P3 -","- C48 H48 F96 N36 O24 P36 -","12","6","CR0501","Wang, Z.; Willett, R. D.; Elias, A. J.; Kirchmeier, R. L.; Shreeve, J. M.","Structure of the polytypic β-form of P~3~N~3~(OCH~2~CF~2~CF~2~CH~2~O)F~4~","Acta Crystallographica Section B","1996","52","4","643","650","10.1107/S0108768195016089","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101553","6.0144","0.0005","22.4675","0.0016","12.0544","0.0005","90","","91.224","0.005","90","","1628.52","0.19","296","1","296","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","10-(4-chlorobutyl)-1,3,4-trifluoro-2-nitrophenothiazine","","- C16 H12 Cl F3 N2 O2 S -","- C16 H12 Cl F3 N2 O2 S -","- C64 H48 Cl4 F12 N8 O8 S4 -","4","1","CR0504","Brock, C. P.; DeLaLuz, P. J.; Golinski, M.; Lloyd, M. A.; Vanaman, T. C.; Watt, D. S.","Planarity of nitro-substituted phenothiazines","Acta Crystallographica Section B","1996","52","4","713","719","10.1107/S0108768196000201","","","0.71073","MoKα","","0.0948","0.038","","0.1067","0.088","","","","1.018","1.1","1.1","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2101554","9.3191","0.0005","18.4382","0.0011","9.206","0.0009","90","","104.004","0.006","90","","1534.8","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","10-(4-chlorobutyl)-3-nitrophenothiazine","","- C16 H15 Cl N2 O2 S -","- C16 H15 Cl N2 O2 S -","- C64 H60 Cl4 N8 O8 S4 -","4","1","CR0504","Brock, C. P.; DeLaLuz, P. J.; Golinski, M.; Lloyd, M. A.; Vanaman, T. C.; Watt, D. S.","Planarity of nitro-substituted phenothiazines","Acta Crystallographica Section B","1996","52","4","713","719","10.1107/S0108768196000201","","","0.71073","MoKα","","0.1554","0.042","","0.1351","0.101","","","","1.025","1.16","1.16","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2101555","6.9087","0.0007","11.9009","0.0004","14.3626","0.0012","85.715","0.004","78.994","0.009","82.86","0.006","1148.6","0.16","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","1,3,4-trifluoro-2-nitrophenothiazine","","- C12 H5 F3 N2 O2 S -","- C12 H5 F3 N2 O2 S -","- C48 H20 F12 N8 O8 S4 -","4","2","CR0504","Brock, C. P.; DeLaLuz, P. J.; Golinski, M.; Lloyd, M. A.; Vanaman, T. C.; Watt, D. S.","Planarity of nitro-substituted phenothiazines","Acta Crystallographica Section B","1996","52","4","713","719","10.1107/S0108768196000201","","","0.71073","MoKα","","0.1619","0.051","","0.1914","0.116","","","","1.025","1.14","1.14","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101556","8.882","0.001","8.882","0.001","8.882","0.001","90","","90","","90","","700.7","0.14","","","","","","","","","","","","5","P -4 3 n","P -4n 2 3","","","","","- Al3 Cl Na4 O12 Si3 -","- Al3 Cl Na4 O12 Si3 -","- Al6 Cl2 Na8 O24 Si6 -","2","0.0833333","CR0505","McMullan, R. K.; Ghose, S.; Haga, N.; Schomaker, V.","Sodalite, Na~4~Si~3~Al~3~O~12~Cl: structure and ionic mobility at high temperatures by neutron diffraction","Acta Crystallographica Section B","1996","52","4","616","627","10.1107/S0108768196004132","","neutron","1.0556","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101557","9.191","","14.632","","7.738","","90","","101.32","","90","","1020.38","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C9 H10 Cl2 N2 O -","- C9 H10 Cl2 N2 O -","- C36 H40 Cl8 N8 O4 -","4","1","DU0403","Pfefer, G.; Boistelle, R.","Experimental and theoretical morphologies of diuron, <i>N</i>'-(3,4-dichlorophenyl)-<i>N</i>,<i>N</i>-dimethylurea","Acta Crystallographica, Section B: Structural Science","1996","52","4","662","667","10.1107/S010876819600047X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","209631","2020-10-21","18:00:00",""
"2101558","6.386","0.001","11.264","0.001","10.105","0.001","90","","103.78","0.01","90","","705.95","0.15","100","0.3","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C8 H10 O2 -","- C8 H11 O2 -","- C32 H44 O8 -","4","1","HA0142","Yufit, D. S.; Mallinson, P. R.; Muir, K. W.; Kozhushkov, S. I.; De Meijere, A.","Experimental charge density study of 7-dispiro[2.0.2.1]heptane carboxylic acid","Acta Crystallographica Section B","1996","52","4","668","676","10.1107/S010876819600105X","","","0.71073","MoKα","","","0.0377","","","0.0472","","","","","2.52","2.52","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101559","11.132","0.001","9.896","0.004","18.482","0.007","90.2","0.04","96.87","0.08","90.21","0.05","2021.4","1.2","295","","","","","","","","","","","3","F -1","-F 1","2","","","","- O6 Sb2 W -","- O6 Sb2 W -","- O96 Sb32 W16 -","16","","JS0034","Ling, C. D.; Withers, R. L.; Rae, A. D.; Schmid, S.; Thompson, J. G.","Antiferroelectric modulations in Sb~2~WO~6~ and Sb~2~MoO~6~","Acta Crystallographica Section B","1996","52","4","610","615","10.1107/S0108768196003813","","","0.7107","MoKα","","","0.04","","","0.053","","","","","1.19","1.19","","","","","has coordinates","208305","2020-10-21","18:00:00",""
"2101560","6.743","0.001","7.03","0.001","7.067","0.001","104.76","0.01","100.73","0.01","105.79","0.01","299.74","0.08","293","1","293","2","","","","","","","","2","P -1","-P 1","2","","","","- Bi2 Rh -","- Bi2 Rh -","- Bi8 Rh4 -","4","2","JZ0001","Ruck, M.","Kristallstruktur und zwillingsbildung der intermetallischen phase β-Bi~2~Rh","Acta Crystallographica Section B","1996","52","4","605","609","10.1107/S0108768196003400","","","0.71073","MoKα","","0.0494","0.0271","","0.0529","0.0484","","","","0.996","1.044","1.044","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101561","17.294","0.005","13.875","0.004","7.442","0.004","90","","103.88","0.06","90","","1733.6","1.3","295","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 F N O2 -","- C10 H8 F N O2 -","- C80 H64 F8 N8 O16 -","8","1","SE0185","Antolić, A.; Kojić-Prodić, B.; Tomić, S.; Nigović, B.; Magnus, V.; Cohen, J. D.","Structural studies on monofluorinated derivatives of the phytohormone indole-3-acetic acid (auxin)","Acta Crystallographica Section B","1996","52","4","651","661","10.1107/S0108768195016302","","","0.71073","MoKα","","","0.043","","","0.044","","","","","1.13","1.13","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101562","19.284","0.005","5.083","0.004","9.939","0.004","90","","117.28","0.06","90","","865.9","0.9","297","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 F N O2 -","- C10 H8 F N O2 -","- C40 H32 F4 N4 O8 -","4","1","SE0185","Antolić, A.; Kojić-Prodić, B.; Tomić, S.; Nigović, B.; Magnus, V.; Cohen, J. D.","Structural studies on monofluorinated derivatives of the phytohormone indole-3-acetic acid (auxin)","Acta Crystallographica Section B","1996","52","4","651","661","10.1107/S0108768195016302","","","0.71073","MoKα","","","0.062","","","0.057","","","","","0.91","0.91","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101563","9.36","0.001","5.167","0.004","17.751","0.004","90","","93.75","0.01","90","","856.7","0.7","100","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C10 H8 F N O2 -","- C10 H8 F N O2 -","- C40 H32 F4 N4 O8 -","4","1","SE0185","Antolić, A.; Kojić-Prodić, B.; Tomić, S.; Nigović, B.; Magnus, V.; Cohen, J. D.","Structural studies on monofluorinated derivatives of the phytohormone indole-3-acetic acid (auxin)","Acta Crystallographica Section B","1996","52","4","651","661","10.1107/S0108768195016302","","","0.71073","MoKα","","","0.048","","","0.048","","","","","0.8","0.8","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101564","9.935","0.005","5.0059","0.0004","17.61","0.001","90","","102.13","0.01","90","","856.3","0.4","100","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C10 H8 F N O2 -","- C10 H8 F N O2 -","- C40 H32 F4 N4 O8 -","4","1","SE0185","Antolić, A.; Kojić-Prodić, B.; Tomić, S.; Nigović, B.; Magnus, V.; Cohen, J. D.","Structural studies on monofluorinated derivatives of the phytohormone indole-3-acetic acid (auxin)","Acta Crystallographica Section B","1996","52","4","651","661","10.1107/S0108768195016302","","","1.5418","CuKα","","","0.035","","","0.04","","","","","0.39","0.39","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101565","9.622","0.001","7.853","0.001","19.103","0.003","90","","93.11","0.01","90","","1441.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Br2 O6 -","- C12 H12 Br2 O6 -","- C48 H48 Br8 O24 -","4","1","SE0188","Näther, C.; Nagel, N.; Bock, H.; Seitz, W.; Havlas, Z.","Structural, kinetic and thermodynamic aspects of the conformational dimorphism of diethyl 3,6-dibromo-2,5-dihydroxyterephthalate","Acta Crystallographica Section B","1996","52","4","697","706","10.1107/S0108768196003187","","","0.71073","MoKα","","0.0718","0.049","","0.1543","0.1391","","","","1.081","1.144","1.144","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101566","8.267","0.001","25.037","0.004","7.526","0.001","90","","113.44","0.01","90","","1429.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br2 O6 -","- C12 H12 Br2 O6 -","- C48 H48 Br8 O24 -","4","1","SE0188","Näther, C.; Nagel, N.; Bock, H.; Seitz, W.; Havlas, Z.","Structural, kinetic and thermodynamic aspects of the conformational dimorphism of diethyl 3,6-dibromo-2,5-dihydroxyterephthalate","Acta Crystallographica Section B","1996","52","4","697","706","10.1107/S0108768196003187","","","0.71073","MoKα","","0.0686","0.0393","","0.1353","0.1176","","","","1.045","1.106","1.106","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101567","8.002","0.002","8.232","0.002","8.966","0.002","116.82","0.03","96.1","0.03","102.29","0.03","500.9","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H24 Br2 O8 -","- C16 H24 Br2 O8 -","- C16 H24 Br2 O8 -","1","0.5","SE0188","Näther, C.; Nagel, N.; Bock, H.; Seitz, W.; Havlas, Z.","Structural, kinetic and thermodynamic aspects of the conformational dimorphism of diethyl 3,6-dibromo-2,5-dihydroxyterephthalate","Acta Crystallographica Section B","1996","52","4","697","706","10.1107/S0108768196003187","","","0.71073","MoKα","","0.0485","0.0429","","0.1311","0.1257","","","","1.097","1.126","1.126","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101568","4.3267","0.0002","4.3267","0.0002","16.5369","0.0008","90","","90","","120","","268.1","0.02","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","","","","","- Ce2 Ga15 Pt6 -","- Ce1.278 Ga9.8 Pt4 -","- Ce1.278 Ga9.8 Pt4 -","","","VS0127","Kwei, G. H.; Lawson, A. C.; Larson, A. C.; Morosin, B.; Larson, E. M.; Canfield, P. C.","Structure of Ce~2~Pt~6~Ga~15~: interplanar disorder from the Ce~2~Ga~3~ layers","Acta Crystallographica Section B","1996","52","4","580","585","10.1107/S0108768196000481","","neutron","","pulsedneutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101569","4.335","0.01","4.335","0.01","16.564","0.007","90","","90","","120","","269.6","0.9","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","","","","","- Ce2 Ga15 Pt6 -","- Ce1.38 Ga9.83 Pt4 -","- Ce1.38 Ga9.83 Pt4 -","","","VS0127","Kwei, G. H.; Lawson, A. C.; Larson, A. C.; Morosin, B.; Larson, E. M.; Canfield, P. C.","Structure of Ce~2~Pt~6~Ga~15~: interplanar disorder from the Ce~2~Ga~3~ layers","Acta Crystallographica Section B","1996","52","4","580","585","10.1107/S0108768196000481","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101570","4.3259","0.0005","4.3259","0.0005","16.522","0.003","90","","90","","120","","267.76","0.07","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","","","","","- Ce2 Ga15 Pt6 -","- Ce1.264 Ga9.866 Pt4 -","- Ce1.264 Ga9.866 Pt4 -","","","VS0127","Kwei, G. H.; Lawson, A. C.; Larson, A. C.; Morosin, B.; Larson, E. M.; Canfield, P. C.","Structure of Ce~2~Pt~6~Ga~15~: interplanar disorder from the Ce~2~Ga~3~ layers","Acta Crystallographica Section B","1996","52","4","580","585","10.1107/S0108768196000481","","neutron","","pulsedneutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101571","10.03","0.001","9.84","0.002","21.625","0.002","90","0.01","90.87","0.01","90","0.013","2134","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","8,11-dihydroxy-pentacyclo[5.4.0.0^2,^6.0^3,^10.0^5,^9]undecane-8,11-lactam","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C96 H120 N8 O32 -","8","1","AN0518","Kruger, H. G.; Martins, F. J. C.; Viljoen, A. M.; Boeyens, J. C. A.; Cook, L. M.; Levendis, D. C.","Structure and conformation of the hydrate of 8,11-dihydroxypentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane-8,11-carbolactam","Acta Crystallographica Section B","1996","52","5","838","841","10.1107/S0108768196000493","","","0.71069","MoKα","","0.0788","0.0539","","0.163","0.1486","","","","0.992","1.148","1.148","","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2101572","10.089","0.002","18.349","0.003","7.56","0.001","90","","90","","90","","1399.5","0.4","","","","","","","","","","","","5","P b a 2","P 2 -2ab","","","","","- C H8 F6 N4 Zr -","- C8 H64 F48 N32 Zr8 -","- C8 H64 F48 N32 Zr8 -","","","AN0526","Abrahams, S. C.; Mirsky, K.; Nielson, R. M.","Prediction of ferroelectricity in recent Inorganic Crystal Structure Database entries under space group <i>Pba</i>2","Acta Crystallographica Section B","1996","52","5","806","809","10.1107/S0108768196004582","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101573","6.127","","12.016","","4.378","","90","","90","","90","","322.317","","","","","","","","","","","","","4","P b a 2","P 2 -2ab","","","","","- Ba0.6 Bi K0.4 O2.3 -","- Ba4 Bi4 O12 -","- Ba4 Bi4 O12 -","","","AN0526","Abrahams, S. C.; Mirsky, K.; Nielson, R. M.","Prediction of ferroelectricity in recent Inorganic Crystal Structure Database entries under space group <i>Pba</i>2","Acta Crystallographica Section B","1996","52","5","806","809","10.1107/S0108768196004582","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101574","15.984","0.002","11.412","0.002","4.151","0.001","90","","90","","90","","757.2","0.2","","","","","","","","","","","","5","P b a 2","P 2 -2ab","","","","","- Cl10 Mo N O P2 -","- Cl32 Mo4 N4 O2 P8 -","- Cl32 Mo4 N4 O2 P8 -","","","AN0526","Abrahams, S. C.; Mirsky, K.; Nielson, R. M.","Prediction of ferroelectricity in recent Inorganic Crystal Structure Database entries under space group <i>Pba</i>2","Acta Crystallographica Section B","1996","52","5","806","809","10.1107/S0108768196004582","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101575","9.897","0.006","9.897","0.006","5.784","0.004","90","","90","","90","","566.5","0.6","","","","","","","","","","","","7","P 4 m m","P 4 -2","99","","","","- C4 Br0.3 D6 K2 N4 O3 Pt -","- C8 Br D28 K4 N8 O7 Pt2 -","- C8 Br D28 K4 N8 O7 Pt2 -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"2101576","3.865","0.001","3.865","0.001","7.6425","0.0008","90","","90","","90","","114.17","0.04","","","","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Ba Cu Fe O5 Y -","- Ba Cu2 O5 Y -","- Ba Cu2 O5 Y -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101577","8.527","0.001","8.527","0.001","5.2104","0.0009","90","","90","","90","","378.85","0.09","","","","","","","","","","","","4","P 4 b m","P 4 -2ab","","","","","- Ba2 O8 Si2 Ti -","- Ba4 O16 Si4 Ti2 -","- Ba4 O16 Si4 Ti2 -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101578","11.146","0.004","11.146","0.004","3.773","0.001","90","","90","","90","","468.7","0.3","","","","","","","","","","","","2","P 42 n m","P 4n -2n","","","","","- N2 S4 -","- N8 S16 -","- N8 S16 -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101579","7.618","0.005","7.618","0.005","8.5","0.005","90","","90","","90","","493.3","0.5","","","","","","","","","","","","3","P 42 m c","P 4c -2","","","","","- As2 Ba Ge2 -","- As8 Ba4 Ge8 -","- As8 Ba4 Ge8 -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101580","3.943","0.005","3.943","0.005","7.962","0.005","90","","90","","90","","123.8","0.2","","","","","","","","","","","","2","P 4 m m","P 4 -2","","","","","- Pu S2 -","- Pu2 S4 -","- Pu2 S4 -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101581","5.588","0.004","5.588","0.004","5.619","0.008","90","","90","","90","","175.5","0.3","","","","","","","","","","","","3","P 4 m m","P 4 -2","","","","","- Cl3 Cs Eu -","- Cl3 Cs Eu -","- Cl3 Cs Eu -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101582","7.822","0.002","7.822","0.002","3.883","0.002","90","","90","","90","","237.58","0.15","","","","","","","","","","","","3","P 4 m m","P 4 -2","","","","","- Nd0.33 O3 Ta -","- Nd3 O12 Ta4 -","- Nd3 O12 Ta4 -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101583","4.0382","0.0001","4.0382","0.0001","4.1057","0.0003","90","","90","","90","","66.952","0.005","","","","","","","","","","","","6","P 4 m m","P 4 -2","","","","","- Mn0.04 Ni0.04 O3 Pb Ti0.04 Zr0.44 -","- O3 Pb Zr -","- O3 Pb Zr -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101584","8.8581","0.0013","8.8581","0.0013","5.4711","0.0011","90","","90","","90","","429.29","0.12","","","","","","","","","","","","6","P 4 b m","P 4 -2ab","","","","","- Ba Cl Cu K O7 V2 -","- Cl2 Cu2 K4 O14 V4 -","- Cl2 Cu2 K4 O14 V4 -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101585","12.589","","12.589","","4.009","","90","","90","","90","","635.358","","","","","","","","","","","","","4","P 4 b m","P 4 -2ab","","","","","- Ba6 Co Nb9 O30 -","- Ba6 Co2 Nb8 O30 -","- Ba6 Co2 Nb8 O30 -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101586","8.7404","0.0008","8.7404","0.0008","8.136","","90","","90","","90","","621.55","0.08","","","","","","","","","","","","4","P 4 b m","P 4 -2ab","","","","","- K2 Nb2 O14 Si4 -","- K4 Nb4 O28 Si8 -","- K4 Nb4 O28 Si8 -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101587","4.283","","4.283","","7.36","","90","","90","","90","","135.012","","","","","","","","","","","","","3","P 4 b m","P 4 -2ab","","","","","- Cr N Nb -","- Cr4 N4 Nb4 -","- Cr4 N4 Nb4 -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101588","10.912","","10.912","","3.325","","90","","90","","90","","395.914","","","","","","","","","","","","","3","P 42 n m","P 4n -2n","","","","","- K2 O7 Zn6 -","- K4 O14 Zn12 -","- K4 O14 Zn12 -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101589","11.22","0.06","11.22","0.06","7.86","0.04","90","","90","","90","","989","9","","","","","","","","","","","","3","P 4 c c","P 4 -2c","","","","","- O6 Se2 V -","- O48 Se16 V8 -","- O48 Se16 V8 -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101590","10.839","0.006","10.839","0.006","5.308","0.004","90","","90","","90","","623.6","0.7","","","","","","","","","","","","4","P 42 b c","P 4c -2ab","","","","","- H3 Na O3 Zn -","- H24 Na8 O24 Zn8 -","- H24 Na8 O24 Zn8 -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101591","5.526","0.001","5.526","0.001","8.039","0.001","90","","90","","90","","245.48","0.07","","","","","","","","","","","","4","I 4 m m","I 4 -2","","","","","- Mn O6 Sb Sr2 -","- Mn2 O12 Sb2 Sr4 -","- Mn2 O12 Sb2 Sr4 -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101592","4.327","0.003","4.327","0.003","10.891","0.005","90","","90","","90","","203.9","0.2","","","","","","","","","","","","4","I 4 m m","I 4 -2","","","","","- Cu K Na2 O2 -","- Cu2 K2 Na4 O4 -","- Cu2 K2 Na4 O4 -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101593","16.563","0.007","16.563","0.007","18.563","0.006","90","","90","","90","","5092","3","","","","","","","","","","","","5","I 4 m m","I 4 -2","","","","","- Cl6 H3 In K3 O1.5 -","- Cl90 In14 K44 O18 -","- Cl90 In14 K44 O18 -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101594","8.957","0.001","8.957","0.001","5.281","0.001","90","","90","","90","","423.68","0.1","","","","","","","","","","","","4","I 4 m m","I 4 -2","","","","","- K1.14 Mg0.57 O4 Si1.43 -","- K6 Mg8 O16 -","- K6 Mg8 O16 -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101595","9.353","0.005","9.353","0.005","7.241","0.006","90","","90","","90","","633.4","0.7","","","","","","","","","","","","5","I 4 c m","I 4 -2c","108","","","","- Al F5 H4 Hg2 O4 -","- Al4 F20 Hg8 O8 -","- Al4 F20 Hg8 O8 -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","208225","2020-10-21","18:00:00",""
"2101596","15.525","0.003","15.525","0.003","7.794","0.003","90","","90","","90","","1878.6","0.9","","","","","","","","","","","","4","I 4 c m","I 4 -2c","108","","","","- F18 Nb3 O Rb5 -","- F72 Nb12 O4 Rb20 -","- F72 Nb12 O4 Rb20 -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","208225","2020-10-21","18:00:00",""
"2101597","5.356","","5.356","","11.803","","90","","90","","90","","338.59","","","","","","","","","","","","","3","I 41 m d","I 41b -2","","","","","- Ag S2 Yb -","- Ag4 S8 Yb4 -","- Ag4 S8 Yb4 -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101598","12.1617","0.0013","12.1617","0.0013","8.3247","0.0014","90","","90","","90","","1231.3","0.3","","","","","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- Ni2 O8 Sr V2 -","- Ni16 O64 Sr8 V16 -","- Ni16 O64 Sr8 V16 -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","205964","2020-10-21","18:00:00",""
"2101599","6.4373","0.0001","7.5023","0.0001","3.9598","0.0002","90","","101.842","0.001","90","","187.167","0.01","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C D3 F -","- C D3 F -","- C4 D12 F4 -","4","1","AN0529","Ibberson, R. M.; Prager, M.","The <i>ab initio</i> crystal structure determination of vapour-deposited methyl fluoride by high-resolution neutron powder diffraction","Acta Crystallographica Section B","1996","52","5","892","895","10.1107/S010876819600599X","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101600","8.611","0.0003","4.9933","0.0002","16.1507","0.0007","90","","110.206","0.003","90","","651.7","0.05","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- H4 O9 P2 Ti -","- H4 O9 P2 Ti -","- H16 O36 P8 Ti4 -","4","1","AN0530","Salvadó, M. A.; Pertierra, P.; García-Granda, S.; García, J. R.; Rodríguez, J.; Fernández-Díaz, M. T.","Neutron powder diffraction study of α-Ti(HPO~4~)~2~.H~2~O and α-Hf(HPO~4~)~2~.H~2~O; H-atom positions","Acta Crystallographica Section B","1996","52","5","896","898","10.1107/S0108768196006702","","neutron","1.59","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101601","8.9955","0.0005","5.2439","0.0003","16.224","0.001","90","","111.234","0.004","90","","713.37","0.08","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- H4 Hf O9 P2 -","- H4 Hf O9 P2 -","- H16 Hf4 O36 P8 -","4","1","AN0530","Salvadó, M. A.; Pertierra, P.; García-Granda, S.; García, J. R.; Rodríguez, J.; Fernández-Díaz, M. T.","Neutron powder diffraction study of α-Ti(HPO~4~)~2~.H~2~O and α-Hf(HPO~4~)~2~.H~2~O; H-atom positions","Acta Crystallographica Section B","1996","52","5","896","898","10.1107/S0108768196006702","","neutron","1.59","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101602","18.142","0.005","9.361","0.002","6.659","0.001","90","","90","","90","","1130.9","0.4","295","","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C12 H8 N4 Pt -","- C12 H8 N4 Pt -","- C48 H32 N16 Pt4 -","4","0.25","BK0031","Connick, W. B.; Henling, L. M.; Marsh, R. E.","A revision of the structure of (bipyridyl-<i>N</i>,<i>N</i>')-dicyanoplatinum(II)","Acta Crystallographica Section B","1996","52","5","817","822","10.1107/S0108768196002674","","","0.71073","MoKα","","","0.0453","","","0.072","","","","","1.56","1.56","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101603","16.7042","0.0005","24.4881","0.0006","6.3891","0.0001","90","","90","","90","","2613.49","0.11","296","1","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H46 N3 O7 P -","- C21 H46 N3 O7 P -","- C84 H184 N12 O28 P4 -","4","1","CR0512","Souhassou, M.; Schaber, P. M.; Blessing, R. H.","Structure of tris(cyclohexylammonium) phosphoenolpyruvate monohydrate and crystal chemistry of phosphoenolpyruvates","Acta Crystallographica Section B","1996","52","5","865","875","10.1107/S0108768196005241","","","0.7107","MoKα","","","0.0608","","","0.0391","","","","","1.42","1.42","","","","","has coordinates","191105","2020-10-21","18:00:00",""
"2101604","16.65","0.007","5.76","0.002","14.751","0.002","90","","99.19","0.01","90","","1396.5","0.8","20","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 Cl4 D32 I2 N8 O16 Pt2 -","- C8 Cl4 D32 I2 N8 O16 Pt2 -","- C16 Cl8 D64 I4 N16 O32 Pt4 -","2","0.25","DU0404","Bardeau, J.-F.; Bulou, A.; Klooster, W. T.; Koetzle, T. F.; Johnson, S.; Scott, B.; Swanson, B. I.; Eckert, J.","Neutron diffraction study of [Pt(en)~2~][Pt(en)~2~I~2~](ClO~4~)~4~ at 20 K: structure and evidence of a new phase transition","Acta Crystallographica Section B","1996","52","5","854","864","10.1107/S0108768196004661","","neutron","1.0462","Neutron","","","0.0374","","","0.0501","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101605","9.888","0.0001","9.888","0.0001","3.217","0.0001","90","","90","","120","","272.395","0.009","","","","","","","","","","","","4","P 63/m","-P 6c","","","","","- Ba0.85 Ca2.15 In6 O12 -","- Ba4 Ca2 In6 O12 -","- Ba4 Ca2 In6 O12 -","1","0.0833333","DU0409","Baldinozzi, G.; Goutenoire, F.; Hervieu, M.; Suard, E.; Grebille, D.","Incommensurate modulated disorder in Ba~0.85~Ca~2.15~In~6~O~12~","Acta Crystallographica Section B","1996","52","5","780","789","10.1107/S0108768196006519","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101606","10.95","0.01","10.15","0.01","10.82","0.01","90","","90","","90","","1203","2","293","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C5 Ca Cl2 D15 N O4 -","- C5 Ca Cl2 D15 N O4 -","- C20 Ca4 Cl8 D60 N4 O16 -","4","0.5","HR0028","Ezpeleta, J. M.; Zúñiga, F. J.; Paulus, W.; Cousson, A.; Hlinka, J.; Quilichini, M.","Structures of room-temperature and ferroelectric (35 K) phases of deuterated betaine calcium chloride dihydrate","Acta Crystallographica Section B","1996","52","5","810","816","10.1107/S0108768195015801","","neutron","0.8308","neutron","","","0.048","","","0.047","","","","","3.53","3.53","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101607","10.905","0.009","10","0.01","10.8","0.01","90","","90","","90","","1177.7","1.9","35","","","","","","","","","","","6","P n 21 a","P -2ac -2n","33","","","","- C5 Ca Cl2 D15 N O4 -","- C5 Ca Cl2 D15 N O4 -","- C20 Ca4 Cl8 D60 N4 O16 -","4","1","HR0028","Ezpeleta, J. M.; Zúñiga, F. J.; Paulus, W.; Cousson, A.; Hlinka, J.; Quilichini, M.","Structures of room-temperature and ferroelectric (35 K) phases of deuterated betaine calcium chloride dihydrate","Acta Crystallographica Section B","1996","52","5","810","816","10.1107/S0108768195015801","","neutron","0.8308","neutron","","","0.042","","","0.042","","","","","3.76","3.76","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101608","5.248","0.001","26.485","0.004","7.248","0.001","90","","95.47","0.01","90","","1002.8","0.3","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 N3 O5 -","- C8 H13 N3 O5 -","- C32 H52 N12 O20 -","4","1","LI0226","Suresh, S.; Vijayan, M.","X-ray studies on crystalline complexes involving amino acids and peptides. XXX. Structural invariance and optical resolution through interactions with an achiral molecule in the histidine complexes of glycolic acid","Acta Crystallographica Section B","1996","52","5","876","881","10.1107/S0108768196005368","","","0.71069","MoKα","","","0.0368","","","0.1023","","","","","1.106","1.106","","","","","has coordinates","190627","2020-10-21","18:00:00",""
"2101609","5.084","0.001","11.012","0.001","17.899","0.003","90","","90","","90","","1002.1","0.3","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H13 N3 O5 -","- C8 H13 N3 O5 -","- C32 H52 N12 O20 -","4","1","LI0226","Suresh, S.; Vijayan, M.","X-ray studies on crystalline complexes involving amino acids and peptides. XXX. Structural invariance and optical resolution through interactions with an achiral molecule in the histidine complexes of glycolic acid","Acta Crystallographica Section B","1996","52","5","876","881","10.1107/S0108768196005368","","","0.71069","MoKα","","","0.0313","","","0.0851","","","","","1.078","1.078","","","","","has coordinates","190627","2020-10-21","18:00:00",""
"2101610","5.9803","0.0006","4.7996","0.0006","8.1599","0.0011","90","","93.477","0.01","90","","233.78","0.05","150","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- K Li O5 Si2 -","- K Li O5 Si2 -","- K2 Li2 O10 Si4 -","2","1","NA0075","de Jong, B. H. W. S.; Supèr, H. T. J.; Spek, A. L.; Veldman, N.; van Wezel, W.; van der Mee, V.","Structure of KLiSi~2~O~5~ and the hygroscopicity of glassy mixed alkali disilicates","Acta Crystallographica Section B","1996","52","5","770","776","10.1107/S0108768196001656","","","0.71073","MoKα","","","0.0331","","","0.0864","","","","","1.23","1.23","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101611","6.816","0.001","23.687","0.003","9.966","0.002","90","","106.63","0.02","90","","1541.7","0.5","295","3","295","3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","5,6-dimethylphenanthridinium triflate","","- C16 H14 F3 N O3 S -","- C16 H14 F3 N O3 S -","- C64 H56 F12 N4 O12 S4 -","4","1","NA0076","Kojić-Prodić, Biserka; Kiralj, Rudolf; Žinić, Mladen; Alihodžić, Sulejman; Trinajstić, Nenad","Bond length‒bond order relations and calculated geometries for some benzenoid aromatics, including phenanthridine. Structures of 5,6-dimethylphenanthridinium triflate, [<i>N</i>-(6-phenanthridinylmethyl)-aza-18-crown-6-κ^5^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''',<i>O</i>''''](picrate-κ^2^-<i>O</i>,<i>O</i>')potassium, and [<i>N</i>,<i>N</i>'-bis(6-phenanthridinyl-κ<i>N</i>-methyl)-7,16-diaza-18-crown-6-κ^4^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''']sodium iodide dichloromethane solvate","Acta Crystallographica Section B","1996","52","5","823","837","10.1107/S0108768196006337","","","0.71073","MoKα","","","0.048","","","0.056","","","","","0.84","0.84","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101612","9.189","0.001","11.786","0.002","15.805","0.002","83.39","0.01","88.29","0.01","75.78","0.01","1648.2","0.4","295","3","295","3","","","","","","","","5","P -1","-P 1","2","","(N-(6-phenanthridinylmethyl)-aza-18-crown-6)(picrato-O,O')potassium","","- C32 H36 K N5 O12 -","- C32 H36 K N5 O12 -","- C64 H72 K2 N10 O24 -","2","1","NA0076","Kojić-Prodić, Biserka; Kiralj, Rudolf; Žinić, Mladen; Alihodžić, Sulejman; Trinajstić, Nenad","Bond length‒bond order relations and calculated geometries for some benzenoid aromatics, including phenanthridine. Structures of 5,6-dimethylphenanthridinium triflate, [<i>N</i>-(6-phenanthridinylmethyl)-aza-18-crown-6-κ^5^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''',<i>O</i>''''](picrate-κ^2^-<i>O</i>,<i>O</i>')potassium, and [<i>N</i>,<i>N</i>'-bis(6-phenanthridinyl-κ<i>N</i>-methyl)-7,16-diaza-18-crown-6-κ^4^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''']sodium iodide dichloromethane solvate","Acta Crystallographica Section B","1996","52","5","823","837","10.1107/S0108768196006337","","","1.54184","CuKα","","","0.04","","","0.04","","","","","0.73","0.73","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101613","10.453","0.001","13.417","0.001","28.526","0.002","90","","90","","90","","4000.7","0.6","100","3","100","3","","","","","","","","7","I 2 2 2","I 2 2","23","","(N,N'-bis(6-phenanthridinylmethyl)-7,16-diaza-18-crown-6)sodium iodide dichloromethane solvate","","- C41 H46 Cl2 I N4 Na O4 -","- C41 H46 Cl2 I N4 Na O4 -","- C164 H184 Cl8 I4 N16 Na4 O16 -","4","0.5","NA0076","Kojić-Prodić, Biserka; Kiralj, Rudolf; Žinić, Mladen; Alihodžić, Sulejman; Trinajstić, Nenad","Bond length‒bond order relations and calculated geometries for some benzenoid aromatics, including phenanthridine. Structures of 5,6-dimethylphenanthridinium triflate, [<i>N</i>-(6-phenanthridinylmethyl)-aza-18-crown-6-κ^5^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''',<i>O</i>''''](picrate-κ^2^-<i>O</i>,<i>O</i>')potassium, and [<i>N</i>,<i>N</i>'-bis(6-phenanthridinyl-κ<i>N</i>-methyl)-7,16-diaza-18-crown-6-κ^4^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''']sodium iodide dichloromethane solvate","Acta Crystallographica Section B","1996","52","5","823","837","10.1107/S0108768196006337","","","0.71073","MoKα","","0.059","0.0493","","0.058","0.0511","","","","4.25","4.24","4.24","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101614","8.958","0.001","8.161","0.001","24.104","0.001","90","","98.98","0.01","90","","1740.6","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","dipyridylamine","2,2'-dipyridylamine","","- C10 H9 N3 -","- C10 H9 N3 -","- C80 H72 N24 -","8","2","SE0195","Schödel, H.; Näther, C.; Bock, H.; Butenschön, F.","Trimorphism of 2,2'-dipyridylamine: structures, phase transitions and thermodynamic stabilities","Acta Crystallographica Section B","1996","52","5","842","853","10.1107/S0108768196004624","","","0.71073","MoKα","","0.056","0.0397","","0.1031","0.0918","","","","1.022","1.051","1.051","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101615","9.001","0.001","8.262","0.001","24.234","0.001","90","","98.88","0.01","90","","1780.6","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","dipyridylamine","2,2'-dipyridylamine","","- C10 H9 N3 -","- C10 H9 N3 -","- C80 H72 N24 -","8","2","SE0195","Schödel, H.; Näther, C.; Bock, H.; Butenschön, F.","Trimorphism of 2,2'-dipyridylamine: structures, phase transitions and thermodynamic stabilities","Acta Crystallographica Section B","1996","52","5","842","853","10.1107/S0108768196004624","","","0.71073","MoKα","","0.0659","0.0401","","0.1058","0.0876","","","","1.032","1.062","1.062","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101616","5.637","0.004","8.243","0.003","12.258","0.003","90","","96.8","0.05","90","","565.6","0.5","297","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 N4 O6 -","- C6 H14 N4 O6 -","- C12 H28 N8 O12 -","2","0.5","AB0345","Videnova-Adrabińska, V.","Symmetry constraints, molecular recognition and crystal engineering. Comparative structural studies of urea‒butanedioic and urea‒<i>E</i>-butanedioic acid (2:1) cocrystals","Acta Crystallographica Section B","1996","52","6","1048","1056","10.1107/S0108768196005216","","","0.71073","MoKα","","","0.057","","","0.069","","","","","1.75","1.75","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101617","5.54","0.001","8.227","0.001","12.426","0.003","90","","97.22","0.03","90","","561.86","0.19","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 N4 O6 -","- C6 H12 N4 O6 -","- C12 H24 N8 O12 -","2","0.5","AB0345","Videnova-Adrabińska, V.","Symmetry constraints, molecular recognition and crystal engineering. Comparative structural studies of urea‒butanedioic and urea‒<i>E</i>-butanedioic acid (2:1) cocrystals","Acta Crystallographica Section B","1996","52","6","1048","1056","10.1107/S0108768196005216","","","0.71073","MoKα","","","0.041","","","0.088","","","","","1.04","1.04","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101618","6.3121","0.0002","6.4984","0.0002","3.3886","0.0001","96.604","0.004","97.29","0.004","104.691","0.002","131.786","0.007","293","","","","","","","","","","","4","P 1","P 1","1","","cis-diammine dichloro palladiun(II)","","- Cl2 H6 N2 Pd -","- Cl2 H6 N2 Pd -","- Cl2 H6 N2 Pd -","1","1","AB0347","Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S.; Blokhina, M. L.","Structures and isomerization in diamminedichloropalladium(II)","Acta Crystallographica Section B","1996","52","6","909","916","10.1107/S0108768196005988","","","1.5418","CuKα","","","0.097","","","0.083","","","","","1.58","1.58","","","","","has coordinates","189062","2020-10-21","18:00:00",""
"2101619","6.5398","0.0003","6.8571","0.0004","6.3573","0.0003","103.311","0.005","102.454","0.003","100.609","0.004","262.58","0.02","293","","","","","","","","","","","4","P -1","-P 1","2","","trans-diammine dichloro palladiun(II)","","- Cl2 H6 N2 Pd -","- Cl2 H6 N2 Pd1.07 -","- Cl4 H12 N4 Pd2.14 -","2","1","AB0347","Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S.; Blokhina, M. L.","Structures and isomerization in diamminedichloropalladium(II)","Acta Crystallographica Section B","1996","52","6","909","916","10.1107/S0108768196005988","","","1.5418","CuKα","","","0.094","","","0.091","","","","","1.61","1.61","","","","","has coordinates","189062","2020-10-21","18:00:00",""
"2101620","8.154","0.0002","8.1482","0.0002","7.7945","0.0001","90","","90","","90","","517.87","0.019","293","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","beta-trans-diammine dichloro palladiun(II)","","- Cl2 H6 N2 Pd -","- Cl2 H6 N2 Pd -","- Cl8 H24 N8 Pd4 -","4","0.5","AB0347","Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S.; Blokhina, M. L.","Structures and isomerization in diamminedichloropalladium(II)","Acta Crystallographica Section B","1996","52","6","909","916","10.1107/S0108768196005988","","","1.5418","CuKα","","","0.111","","","0.109","","","","","1.81","1.81","","","","","has coordinates","189062","2020-10-21","18:00:00",""
"2101621","12.746","0.001","7.3494","0.0007","4.1252","0.0002","90","","90","","90","","386.43","0.05","293","","","","","","","","","","","3","P b a a","-P 2a -2b","54","","molybdenum uranium pentoxide","","- Mo O5 U -","- Mo O5 U -","- Mo4 O20 U4 -","4","0.5","AB0350","D'yachenko, O. G.; Tabachenko, V. V.; Tali, R.; Kovba, L. M.; Marinder, B.-O.; Sundberg, M.","Structure of UMoO~5~ studied by single-crystal X-ray diffraction and high-resolution transmission electron microscopy","Acta Crystallographica Section B","1996","52","6","961","965","10.1107/S0108768196009597","","","0.71073","MoKα","","","0.037","","","0.037","","","","","","","","","","","has coordinates","208231","2020-10-21","18:00:00",""
"2101622","5.519","0.0006","4.865","0.0005","40.256","0.004","90","0.009","91.02","0.009","90","0.009","1080.7","0.19","293","","293","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","Antimony niobium titanium oxide","","- Nb2.11 O14 Sb3.89 Ti -","- Nb2.12 O14 Sb3.88 Ti -","- Nb8.48 O56 Sb15.52 Ti4 -","4","0.5","BR0050","Ling, C. D.; Schmid, S.; Thompson, J. G.; Withers, R. L.; Sterns, M.","Synthesis and structure refinement of a new type of layered intergrowth phase: Sb~3+<i>x~</i>Nb~3{-~<i>x</i>}TiO~14~ and Sb~3+<i>x~</i>Ta~3{-~<i>x</i>}TiO~14~","Acta Crystallographica Section B","1996","52","6","932","938","10.1107/S0108768196008075","","","0.7107","MoKα","","0.062","0.047","","0.035","0.034","","","","4.121","4.238","4.238","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101623","5.492","0.0005","4.837","0.0005","40.165","0.004","90","0.009","91.08","0.009","90","0.009","1066.79","0.18","293","","293","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","Antimony tantalum titanium oxide","","- O14 Sb4.26 Ta1.74 Ti -","- O14 Sb4.26 Ta1.74 Ti -","- O56 Sb17.04 Ta6.96 Ti4 -","4","0.5","BR0050","Ling, C. D.; Schmid, S.; Thompson, J. G.; Withers, R. L.; Sterns, M.","Synthesis and structure refinement of a new type of layered intergrowth phase: Sb~3+<i>x~</i>Nb~3{-~<i>x</i>}TiO~14~ and Sb~3+<i>x~</i>Ta~3{-~<i>x</i>}TiO~14~","Acta Crystallographica Section B","1996","52","6","932","938","10.1107/S0108768196008075","","","0.7107","MoKα","","0.075","0.063","","0.081","0.08","","","","4.081","4.504","4.504","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101624","10.3","0.002","14.704","0.003","15.784","0.004","75.3","0.03","86.98","0.03","72.25","0.03","2201.4","1","291","","","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H32 N8 O3 S3 -","- C11 H32 N8 O3 S3 -","- C44 H128 N32 O12 S12 -","4","2","CR0511","Li, Q.; Mak, T. C. W.","Inclusion compounds of thiourea and peralkylated ammonium salts. III. Hydrogen-bonded host lattices built of thiourea and nitrate ions","Acta Crystallographica Section B","1996","52","6","989","998","10.1107/S010876819600451X","","","0.71073","MoKα","","","0.039","","","0.049","","","","","1.52","1.52","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101625","8.433","0.002","9.369","0.002","34.361","0.007","90","","91.01","0.03","90","","2714.4","1","291","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H42 N8 O4 S3 -","- C15 H42 N8 O4 S3 -","- C60 H168 N32 O16 S12 -","4","1","CR0511","Li, Q.; Mak, T. C. W.","Inclusion compounds of thiourea and peralkylated ammonium salts. III. Hydrogen-bonded host lattices built of thiourea and nitrate ions","Acta Crystallographica Section B","1996","52","6","989","998","10.1107/S010876819600451X","","","0.71073","MoKα","","","0.05","","","0.056","","","","","1.28","1.28","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101626","15.72","0.003","8.218","0.002","8.709","0.002","90","","90","","90","","1125.1","0.4","291","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H16 N4 O3 S -","- C5 H16 N4 O3 S -","- C20 H64 N16 O12 S4 -","4","0.5","CR0511","Li, Q.; Mak, T. C. W.","Inclusion compounds of thiourea and peralkylated ammonium salts. III. Hydrogen-bonded host lattices built of thiourea and nitrate ions","Acta Crystallographica Section B","1996","52","6","989","998","10.1107/S010876819600451X","","","0.71073","MoKα","","","0.073","","","0.08","","","","","1.34","1.34","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2101627","8.784","0.002","14.421","0.003","15.078","0.003","90","","92.31","0.03","90","","1908.4","0.7","291","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H32 N4 O3 S -","- C13 H32 N4 O3 S -","- C52 H128 N16 O12 S4 -","4","1","CR0511","Li, Q.; Mak, T. C. W.","Inclusion compounds of thiourea and peralkylated ammonium salts. III. Hydrogen-bonded host lattices built of thiourea and nitrate ions","Acta Crystallographica Section B","1996","52","6","989","998","10.1107/S010876819600451X","","","0.71073","MoKα","","","0.046","","","0.052","","","","","1.18","1.18","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101628","19.934","0.003","12.68","0.002","9.092","0.003","90","","90","","90","","2298.1","0.9","291","","","","","","","","","","","5","P n a 21","P 2c -2n","","","","","- C17 H40 N4 O3 S -","- C17 H40 N4 O3 S -","- C68 H160 N16 O12 S4 -","4","1","CR0511","Li, Q.; Mak, T. C. W.","Inclusion compounds of thiourea and peralkylated ammonium salts. III. Hydrogen-bonded host lattices built of thiourea and nitrate ions","Acta Crystallographica Section B","1996","52","6","989","998","10.1107/S010876819600451X","","","0.71073","MoKα","","","0.047","","","0.053","","","","","1.44","1.44","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101629","11.152","0.001","11.152","0.001","11.152","0.001","90","","90","","90","","1386.9","0.2","293","2","","","","","","","","","","3","I -4 3 d","I -4bd 2ab 3","","","","","- In3 O8 P2 -","- In3 O8 P2 -","- In24 O64 P16 -","8","0.166667","DU0405","Peltier, V.; L'Haridon, P.; Marchand, R.; Laurent, Y.","Synthèse et caractérisation structurale d'un phosphate d'indium In~3~P~2~O~8~ présentant des paires In‒In","Acta Crystallographica Section B","1996","52","6","905","908","10.1107/S0108768196003916","","","0.7107","Mo","","","0.03","","","0.045","","","","","1.26","1.26","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101630","13.6907","0.0005","9.3327","0.0004","7.0432","0.0003","106.188","0.003","94.927","0.003","96.977","0.002","851.04","0.08","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H5 O3 P Pb -","- C6 O3 P Pb -","- C24 O12 P4 Pb4 -","4","2","DU0407","Cabeza, A.; Aranda, M. A. G.; Martinez-Lara, M.; Bruque, S.; Sanz, J.","<i>Ab initio</i> powder structure determination and thermal behavior of a new lead(II) phenylphosphonate, Pb(O~3~PC~6~H~5~)","Acta Crystallographica Section B","1996","52","6","982","988","10.1107/S0108768196006829","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101631","31.863","0.002","11.088","0.002","9.4","0.003","90","","90","","90","","3321","1.2","294","","294.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H21 N O -","- C21 H21 N O -","- C168 H168 N8 O8 -","8","1","FG0004","Jones, R.; Rattray, A. G. M.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.","Structures and photochemistry of dibenzobarrelene monoamides","Acta Crystallographica Section B","1996","52","6","1007","1013","10.1107/S0108768196009056","","","1.5418","CuKα","","0.1386","0.0398","","0.0392","0.0331","","","","1.529","1.946","1.946","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2101632","10.846","0.001","10.788","0.002","17.0463","0.0009","90","","107.836","0.007","90","","1898.7","0.4","294","","294.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O -","- C23 H25 N O -","- C92 H100 N4 O4 -","4","1","FG0004","Jones, R.; Rattray, A. G. M.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.","Structures and photochemistry of dibenzobarrelene monoamides","Acta Crystallographica Section B","1996","52","6","1007","1013","10.1107/S0108768196009056","","","0.7107","MoKα","","0.1152","0.0372","","0.037","0.0336","","","","1.763","2.227","2.227","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2101633","10.228","0.003","32.818","0.003","15.529","0.003","90","","99.79","0.02","90","","5136.6","1.9","294","","294.2","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C32.75 H28.25 Cl0.75 N O -","- C33.8 H25 Cl0.25 N O -","- C270.4 H200 Cl2 N8 O8 -","8","2","FG0004","Jones, R.; Rattray, A. G. M.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.","Structures and photochemistry of dibenzobarrelene monoamides","Acta Crystallographica Section B","1996","52","6","1007","1013","10.1107/S0108768196009056","","","1.5418","CuKα","","0.1737","0.0471","","0.0445","0.0411","","","","","2.41","2.41","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2101634","16.419","0.003","15.309","0.003","4.708","0.001","90","","90","","90","","1183.4","0.4","120","2","120","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","L-valyl-L-glutamine","","- C10 H19 N3 O4 -","- C10 H19 N3 O4 -","- C40 H76 N12 O16 -","4","1","HA0146","Görbitz, C. H.; Backe, P. H.","Structures of <small>L</small>-valyl-<small>L</small>-glutamine and <small>L</small>-glutamyl-<small>L</small>-valine","Acta Crystallographica Section B","1996","52","6","999","1006","10.1107/S0108768196006817","","","0.71069","MoKα","","0.0858","0.0502","","0.0999","0.0906","","","","1.004","1.091","1.091","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101635","6.487","0.002","5.505","0.002","16.741","0.004","90","","97.22","0.02","90","","593.1","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Glu-L-Val","","- C10 H18 N2 O5 -","- C10 H18 N2 O5 -","- C20 H36 N4 O10 -","2","1","HA0146","Görbitz, C. H.; Backe, P. H.","Structures of <small>L</small>-valyl-<small>L</small>-glutamine and <small>L</small>-glutamyl-<small>L</small>-valine","Acta Crystallographica Section B","1996","52","6","999","1006","10.1107/S0108768196006817","","","0.71069","MoKα","","0.0656","0.0473","","0.1115","0.1043","","","","1.029","1.074","1.074","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101636","5.709","0.002","5.707","0.002","5.708","0.002","90","","90.01","0.01","90","","186","0.1","293","","","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- Cu S2 -","- Cu S2 -","- Cu4 S8 -","4","2","HU1045","Marcos, C.; Paniagua, A.; Moreiras, D. B.; García-Granda, S.; Díaz, M. R.","Villamaninite, a case of noncubic pyrite-type structure","Acta Crystallographica Section B","1996","52","6","899","904","10.1107/S0108768196002996","","","0.71073","MoKα","","","0.051","","","0.051","","","","","0.6521","0.6521","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101637","5.704","0.003","5.703","0.003","5.704","0.003","90","","89.99","0.02","90","","185.5","0.2","293","","","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- Cu S2 -","- Cu S2 -","- Cu4 S8 -","4","2","HU1045","Marcos, C.; Paniagua, A.; Moreiras, D. B.; García-Granda, S.; Díaz, M. R.","Villamaninite, a case of noncubic pyrite-type structure","Acta Crystallographica Section B","1996","52","6","899","904","10.1107/S0108768196002996","","","0.71073","MoKα","","","0.034","","","0.033","","","","","0.9515","0.9515","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101638","5.9078","0.0005","24.542","0.002","5.9151","0.0006","90","","102.039","0.007","90","","838.76","0.13","295","2","","","","","","","","","","4","P 1 21 1","","","","","","- C14 H26 N4 O4 -","- C14 H2 N4 O4 -","- C28 H4 N8 O8 -","2","1","JS0028","Bussien Gaillard, V.; Paciorek, W.; Schenk, K.; Chapuis, G.","Hexamethylenetetramine suberate, a strongly anharmonic modulated structure","Acta Crystallographica Section B","1996","52","6","1036","1047","10.1107/S0108768196009937","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101639","5.835","0.001","24.202","0.002","5.813","0.001","90","","101.59","0.01","90","","804.2","0.2","295","2","","","","","","","","","","4","P 1 21 1","","","","","","- C14 H26 N4 O4 -","- C14 H2 N4 O4 -","- C28 H4 N8 O8 -","2","1","JS0028","Bussien Gaillard, V.; Paciorek, W.; Schenk, K.; Chapuis, G.","Hexamethylenetetramine suberate, a strongly anharmonic modulated structure","Acta Crystallographica Section B","1996","52","6","1036","1047","10.1107/S0108768196009937","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101640","8.9667","0.0019","13.356","0.003","6.7119","0.0016","90","","99.412","0.002","90","","793","0.3","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H8 Co O8 -","- C4 H8 Co O8 -","- C16 H32 Co4 O32 -","4","0.5","OA0002","Lee, Chi-Rung; Wang, Chih-Chieh; Wang, Yu","Structural relationship of various squarates","Acta Crystallographica Section B","1996","52","6","966","975","10.1107/S0108768196009639","","","0.7107","MoKα","","0.079","0.032","","0.03","0.029","","","","","2.68","2.68","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101641","8.9315","0.0016","13.246","0.003","6.6893","0.0018","90","","99.43","0.02","90","","780.7","0.3","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H8 Ni O8 -","- C4 H8 Ni O8 -","- C16 H32 Ni4 O32 -","4","0.5","OA0002","Lee, Chi-Rung; Wang, Chih-Chieh; Wang, Yu","Structural relationship of various squarates","Acta Crystallographica Section B","1996","52","6","966","975","10.1107/S0108768196009639","","","0.7107","MoKα","","0.034","0.026","","0.025","0.025","","","","","2.58","2.58","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101642","5.194","0.003","7.454","0.002","8.9007","0.0018","67.07","0.02","77.26","0.03","74.46","0.04","303.1","0.2","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H10 Mn O12 -","- C8 H10 Mn O12 -","- C8 H10 Mn O12 -","1","0.5","OA0002","Lee, Chi-Rung; Wang, Chih-Chieh; Wang, Yu","Structural relationship of various squarates","Acta Crystallographica Section B","1996","52","6","966","975","10.1107/S0108768196009639","","","0.7107","MoKα","","0.024","0.023","","0.029","0.029","","","","","2.82","2.82","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101643","5.1577","0.001","7.4107","0.0013","8.7823","0.0013","66.846","0.012","77.109","0.015","74.748","0.015","295.05","0.09","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H10 Fe O12 -","- C8 H10 Fe O12 -","- C8 H10 Fe O12 -","1","0.5","OA0002","Lee, Chi-Rung; Wang, Chih-Chieh; Wang, Yu","Structural relationship of various squarates","Acta Crystallographica Section B","1996","52","6","966","975","10.1107/S0108768196009639","","","0.7107","MoKα","","0.029","0.028","","0.028","0.028","","","","","3.43","3.43","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101644","11.4395","0.0019","11.4395","0.0019","14.504","0.003","90","","90","","120","","1643.7","0.5","298","","298","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H4 Fe O6 -","- C4 H4 Fe O6 -","- C36 H36 Fe9 O54 -","9","0.5","OA0002","Lee, Chi-Rung; Wang, Chih-Chieh; Wang, Yu","Structural relationship of various squarates","Acta Crystallographica Section B","1996","52","6","966","975","10.1107/S0108768196009639","","","0.7107","MoKα","","0.033","0.028","","0.032","0.032","","","","","4.68","4.68","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101645","16.255","0.003","16.255","0.003","16.255","0.003","90","","90","","90","","4295","1.4","298","","298","","","","","","","","","4","P n -3 n :2","-P 4a 2bc 3","222","","","","- C4 H4.67 Co O6.33 -","- C4 H4.6666 Co O6.33335 -","- C96 H111.998 Co24 O152 -","24","0.5","OA0002","Lee, Chi-Rung; Wang, Chih-Chieh; Wang, Yu","Structural relationship of various squarates","Acta Crystallographica Section B","1996","52","6","966","975","10.1107/S0108768196009639","","","0.7107","MoKα","","0.336","0.055","","0.054","0.051","","","","","4.68","4.68","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101646","11.899","0.002","14.273","0.002","6.211","0.001","90","","90","","90","","1054.8","0.3","213","","","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C4 H13.12 K0.72 N0.28 Na O10 -","- C4 H16 N Na O10 -","- C16 H64 N4 Na4 O40 -","4","1","OH0056","Suzuki, E.; Kabasawa, H.; Honma, T.; Nozaki, R.; Shiozaki, Y.","Temperature dependence of crystal structure of NaK~0.72~(NH~4~)~0.28~(+)-C~4~H~4~O~6~.4H~2~O in the paraelectric phase","Acta Crystallographica Section B","1996","52","6","976","981","10.1107/S0108768196005502","","","0.70926","MoKα~1~","","","0.0424","","","0.0399","","","","","1.1155","1.1155","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101647","11.929","0.001","14.297","0.001","6.221","0.001","90","","90","","90","","1061","0.2","253","","","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C4 H13.12 K0.72 N0.28 Na O10 -","- C4 H16 N Na O10 -","- C16 H64 N4 Na4 O40 -","4","1","OH0056","Suzuki, E.; Kabasawa, H.; Honma, T.; Nozaki, R.; Shiozaki, Y.","Temperature dependence of crystal structure of NaK~0.72~(NH~4~)~0.28~(+)-C~4~H~4~O~6~.4H~2~O in the paraelectric phase","Acta Crystallographica Section B","1996","52","6","976","981","10.1107/S0108768196005502","","","0.70926","MoKα~1~","","","0.0498","","","0.0442","","","","","1.1732","1.1732","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101648","11.955","0.001","14.317","0.001","6.231","0.001","90","","90","","90","","1066.5","0.2","293","","","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C4 H13.12 K0.72 N0.28 Na O10 -","- C4 H16 N Na O10 -","- C16 H64 N4 Na4 O40 -","4","1","OH0056","Suzuki, E.; Kabasawa, H.; Honma, T.; Nozaki, R.; Shiozaki, Y.","Temperature dependence of crystal structure of NaK~0.72~(NH~4~)~0.28~(+)-C~4~H~4~O~6~.4H~2~O in the paraelectric phase","Acta Crystallographica Section B","1996","52","6","976","981","10.1107/S0108768196005502","","","0.70926","MoKα~1~","","","0.0473","","","0.0392","","","","","0.92","0.92","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101649","19","","3.9","","13.8","","90","","93.5","","90","","1020.67","","","","","","","","","","","","","4","P 1 m 1","P -2y","","","","","- Nb7 O56 W12.5 Zr0.5 -","- M20 -","- M20 -","1","0.5","SE0196","Krumeich, F.; Liedtke, G.; Mader, W.","A novel intergrowth structure between ReO~3~-type and tetragonal tungsten bronze-type in the Zr/Nb/W/O system","Acta Crystallographica Section B","1996","52","6","917","922","10.1107/S0108768196006891","","","","electronbeam","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101650","6.221","0.003","12.076","0.002","7.529","0.004","90","","111.03","0.02","90","","527.9","0.4","168","2","168","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H9 N O -","- C5 H9 N O -","- C20 H36 N4 O4 -","4","1","SE0197","Müller, G.; Lutz, M.; Harder, S.","Methyl group conformation-determining intermolecular C‒H···O hydrogen bonds: structure of <i>N</i>-methyl-2-pyrrolidone","Acta Crystallographica Section B","1996","52","6","1014","1022","10.1107/S0108768196008300","","","0.71069","MoKα","","0.0575","0.0466","","0.1236","0.1146","","","","1.055","1.087","1.087","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101651","10.609","0.001","6.773","0.001","5.879","0.001","90","","114.86","0.01","90","","383.3","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","","","","","- D12 N6 Ni O4 -","- D12 N6 Ni O4 -","- D24 N12 Ni2 O8 -","2","0.25","SH0080","Iversen, B. B.; Larsen, F. K.; Figgis, B. N.; Reynolds, P. A.; Schultz, A. J.","Atomic displacement parameters for Ni(ND~3~)~4~(NO~2~)~2~ from 9 K X-ray and 13 K time-of-flight neutron diffraction data","Acta Crystallographica Section B","1996","52","6","923","931","10.1107/S010876819600794X","","","0.5603","AgKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101652","10.609","0.001","6.773","0.001","5.879","0.001","90","","114.86","0.01","90","","383.3","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","","","","","- D12 N6 Ni O4 -","- D12 N6 Ni O4 -","- D24 N12 Ni2 O8 -","2","0.25","SH0080","Iversen, B. B.; Larsen, F. K.; Figgis, B. N.; Reynolds, P. A.; Schultz, A. J.","Atomic displacement parameters for Ni(ND~3~)~4~(NO~2~)~2~ from 9 K X-ray and 13 K time-of-flight neutron diffraction data","Acta Crystallographica Section B","1996","52","6","923","931","10.1107/S010876819600794X","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2106684","37.754","","5.4109","","41.07","","90","","103.58","","90","","8155.35","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Bi2.09 Sr1.9 Ca Cu2 O8.22","","- Bi2.09 Ca Cu2 O8.22 Sr1.9 -","- Bi2.08556 Ca1.00111 Cu2 O8.22222 Sr1.90222 -","- Bi75.08 Ca36.04 Cu72 O296 Sr68.48 -","36","9","","Gladyshevskii, R.E.; Fluekiger, R.","Modulated structure of Bi2 Sr2 ca Cu2 O8+d, a high-Tc superconductor with monoclinc symmetry","Acta Crystallographica B (39,1983-)","1996","52","","38","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106685","5.4112","","30.873","","5.4161","","90","","90","","90","","904.814","","","","","","","","","","","","","5","C c c 2","C 2 -2c","37","","(Bi2.1 Ca0.9) (Sr1.78 Ca0.22) Cu2 O8","","- Bi2.1 Ca1.12 Cu2 O8 Sr1.78 -","- Bi2.1 Ca1.12 Cu2 O8 Sr1.78 -","- Bi8.4 Ca4.48 Cu8 O32 Sr7.12 -","4","0.5","","Gladyshevskii, R.E.; Fluekiger, R.","Modulated structure of Bi2 Sr2 ca Cu2 O8+d, a high-Tc superconductor with monoclinc symmetry","Acta Crystallographica B (39,1983-)","1996","52","","38","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","154940","2020-10-21","18:00:00",""
"2107250","10.647","","6.799","","5.891","","90","","114.82","","90","","387.053","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","(Ni (N D3)4 (N O2)2)","","- D12 N6 Ni O4 -","- D12 N6 Ni O4 -","- D24 N12 Ni2 O8 -","2","0.25","","Iversen, B.B.; Larsen, F.K.; Reynolds, P.A.; Figgis, B.N.; Schultz, A.J.","Atomic displacement parameters for Ni (N D3)4 (N O2)2 from 9 K x-ray and 13 K time-of-flight neutron diffraction data","Acta Crystallographica B (39,1983-)","1996","52","","923","931","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310707","11.753","","11.753","","11.753","","90","","90","","90","","1623.48","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","((N H3)6 Co) (P F6)2","","- Co F12 H18 N6 P2 -","- Co F12 H18 N6 P2 -","- Co4 F48 H72 N24 P8 -","4","0.0208333","","Schiebel, P.; Prandl, W.; Papoular, R.; Paulus, W.","Almost Free Rotation of NH~3~ Molecules in Crystals: Observation from a Maximum-Entropy Reconstruction of the Proton Density in [Co(NH~3~)~6~](PF~6~)~2~","Acta Crystallographica Section A","1996","52","2","189","197","10.1107/S0108767395011433","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4001653","6.794","0.002","15.525","0.002","10.496","0.002","90","","90.54","0.02","90","","1107","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ba2 Cl7 Er -","- Ba2 Cl7 Er -","- Ba8 Cl28 Er4 -","4","1","","Wickleder, M. S.; Egger, P.; Riedener, T.; Furer, N.; Güdel, H. U.; Hulliger, J.","Synthesis and Crystal Structure of the New Ternary Halide Series Ba2MCl7(M = Gd−Yb, Y) Containing the Highly Efficient Up-Conversion Material Ba2ErCl7","Chemistry of Materials","1996","8","12","2828","","10.1021/cm960324f","","","0.71073","MoKα","","0.034","0.0255","","0.0751","0.0681","","","","1.175","1.141","1.141","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001654","6.8261","0.001","15.584","0.002","10.5578","0.001","90","","90.67","0.01","90","","1123","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ba2 Cl7 Gd -","- Ba2 Cl7 Gd -","- Ba8 Cl28 Gd4 -","4","1","","Wickleder, M. S.; Egger, P.; Riedener, T.; Furer, N.; Güdel, H. U.; Hulliger, J.","Synthesis and Crystal Structure of the New Ternary Halide Series Ba2MCl7(M = Gd−Yb, Y) Containing the Highly Efficient Up-Conversion Material Ba2ErCl7","Chemistry of Materials","1996","8","12","2828","","10.1021/cm960324f","","","0.71073","MoKα","","0.0284","0.0226","","0.0715","0.069","","","","1.052","1.072","1.072","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002639","13.6447","","13.6447","","19.72928","","90","","90","","120","","3181.04","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Na3.06 H4.14 (Al7.2 Si40.8 O96)","","- Al7.2 H4.14 Na3.06 O96 Si40.8 -","- Al7.2 Na3.06 O96 Si40.8 -","- Al7.2 Na3.06 O96 Si40.8 -","1","0.0416667","","Lobo, R.F.; Zones, S.I.; Medrud, R.C.","Synthesis and rietveld refinement of the small-pore zeolite SSZ-16","Chemistry of Materials (1,1989-)","1996","8","","2409","2411","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4030761","2.9478","0.0001","2.9478","0.0001","11.6985","0.0001","90","","90","","120","","88.035","0.004","","","293","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Na0.5 Nb O2 -","- Na0.66 Nb O2 -","- Na1.32 Nb2 O4 -","2","0.0833333","","Tyutyunnik, A. P.; Zubkov, V. G.; Kellerman, D. G.; Pereliaev, V. A.; Kar Kin, A. E.; Svensson, G.","Synthesis, superconducting properties and structural (including electron diffraction) studies of NaxNbO2 and LixNbO2","European Journal of Solid State and Inorganic Chemistry","1996","33","","53","65","","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","","0.053","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030762","2.9275","0.0002","2.9275","0.0002","11.4672","0.0009","90","","90","","120","","85.11","0.011","","","293","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Li0.64 Nb O2 -","- Li0.71 Nb O2 -","- Li1.42 Nb2 O4 -","2","0.0833333","","Tyutyunnik, A. P.; Zubkov, V. G.; Kellerman, D. G.; Pereliaev, V. A.; Kar Kin, A. E.; Svensson, G.","Synthesis, superconducting properties and structural (including electron diffraction) studies of NaxNbO2 and LixNbO2","European Journal of Solid State and Inorganic Chemistry","1996","33","","53","65","","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","","0.034","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030772","10.618","0.004","13.465","0.003","14.351","0.003","90","","106.09","0.02","90","","1971.4","1","","","210","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H58 O4 Y2 -","- C40 O4 Y2 -","- C80 O8 Y4 -","2","0.5","","Schumann, H.; Zietzke, K.; Weimann, R.","Organometallic compounds of the lanthanides, 99. Synthesis and crystal structure of bis(cyclopentadienyl)rare earth acetates (Cp2LnO2CCH3)2 (Cp = C5H5, C5HMe4, C5Me5)","European Journal of Solid State and Inorganic Chemistry","1996","33","","121","144","","","x-ray","0.71069","MoKα","","","0.0387","","","0.1027","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030773","16.318","0.002","13.985","0.003","11.242","0.003","90","","121.231","0.014","90","","2193.7","0.9","","","210","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C47 H66 La2 O4 -","- C47 La2 O4 -","- C94 La4 O8 -","2","1","","Schumann, H.; Zietzke, K.; Weimann, R.","Organometallic compounds of the lanthanides, 99. Synthesis and crystal structure of bis(cyclopentadienyl)rare earth acetates (Cp2LnO2CCH3)2 (Cp = C5H5, C5HMe4, C5Me5)","European Journal of Solid State and Inorganic Chemistry","1996","33","","121","144","","","x-ray","0.71069","MoKα","","","0.0203","","","0.0465","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030774","9.2427","0.0014","19.646","0.003","11.225","0.002","90","","113.54","0.02","90","","1868.6","0.6","","","180","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H58 O4 Sm2 -","- C40 O4 Sm2 -","- C80 O8 Sm4 -","2","0.5","","Schumann, H.; Zietzke, K.; Weimann, R.","Organometallic compounds of the lanthanides, 99. Synthesis and crystal structure of bis(cyclopentadienyl)rare earth acetates (Cp2LnO2CCH3)2 (Cp = C5H5, C5HMe4, C5Me5)","European Journal of Solid State and Inorganic Chemistry","1996","33","","121","144","","","x-ray","0.71069","MoKα","","","0.0277","","","0.0845","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030775","11.271","0.002","19.526","0.003","20.822","0.004","90","","90","","90","","4582.5","1.4","","","163","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H66 Eu2 O10 -","","","4","1","","Evans, W. J.; McClelland, W. G.; Greci, M. A.; Ziller, J. W.","The utility of aryloxide ligands as bridging ligands for europium and calcium- containing compounds","European Journal of Solid State and Inorganic Chemistry","1996","33","","145","156","","","x-ray","0.71073","MoKα","","","0.028","","","0.033","","","","","","","","","","","","178486","2020-10-21","18:00:00",""
"4030776","14.38","0.002","13.278","0.002","15.254","0.002","90","","114.895","0.009","90","","2641.9","0.7","","","163","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 Ca2 O6 -","","","4","1","","Evans, W. J.; McClelland, W. G.; Greci, M. A.; Ziller, J. W.","The utility of aryloxide ligands as bridging ligands for europium and calcium- containing compounds","European Journal of Solid State and Inorganic Chemistry","1996","33","","145","156","","","x-ray","0.71073","MoKα","","","0.055","","","0.057","","","","","","","","","","","","191028","2020-10-21","18:00:00",""
"4030785","4.296","0.001","4.296","0.001","22.93","0.006","90","","90","","120","","366.49","0.15","","","293","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- La Rb S2 -","- La Rb S2 -","- La3 Rb3 S6 -","3","0.0833333","","Bronger, W.; Eyck, J.; Kruse, K.; Schmitz, D.","Ternary rubidium rare-earth sulphides; synthesis and structure","European Journal of Solid State and Inorganic Chemistry","1996","33","","213","216","","","x-ray","0.71073","MoKα","","","0.018","","","","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030786","4.037","0.003","4.037","0.003","22.844","0.018","90","","90","","120","","322.4","0.4","","","293","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Ho Rb S2 -","- Ho Rb S2 -","- Ho3 Rb3 S6 -","3","0.0833333","","Bronger, W.; Eyck, J.; Kruse, K.; Schmitz, D.","Ternary rubidium rare-earth sulphides; synthesis and structure","European Journal of Solid State and Inorganic Chemistry","1996","33","","213","216","","","x-ray","0.71073","MoKα","","","0.053","","","","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030787","4.026","0.003","4.026","0.003","22.802","0.02","90","","90","","120","","320.1","0.4","","","293","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Er Rb S2 -","- Er Rb S2 -","- Er3 Rb3 S6 -","3","0.0833333","","Bronger, W.; Eyck, J.; Kruse, K.; Schmitz, D.","Ternary rubidium rare-earth sulphides; synthesis and structure","European Journal of Solid State and Inorganic Chemistry","1996","33","","213","216","","","x-ray","0.71073","MoKα","","","0.054","","","","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030788","4.02","0.001","4.02","0.001","22.838","0.006","90","","90","","120","","319.63","0.14","","","293","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Rb S2 Tm -","- Rb S2 Tm -","- Rb3 S6 Tm3 -","3","0.0833333","","Bronger, W.; Eyck, J.; Kruse, K.; Schmitz, D.","Ternary rubidium rare-earth sulphides; synthesis and structure","European Journal of Solid State and Inorganic Chemistry","1996","33","","213","216","","","x-ray","0.71073","MoKα","","","0.044","","","","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030789","3.991","0.001","3.991","0.001","22.717","0.007","90","","90","","120","","313.36","0.15","","","293","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Rb S2 Yb -","- Rb S2 Yb -","- Rb3 S6 Yb3 -","3","0.0833333","","Bronger, W.; Eyck, J.; Kruse, K.; Schmitz, D.","Ternary rubidium rare-earth sulphides; synthesis and structure","European Journal of Solid State and Inorganic Chemistry","1996","33","","213","216","","","x-ray","0.71073","MoKα","","","0.018","","","","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030790","3.991","0.001","3.991","0.001","22.838","0.007","90","","90","","120","","315.03","0.15","","","293","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Lu Rb S2 -","- Lu Rb S2 -","- Lu3 Rb3 S6 -","3","0.0833333","","Bronger, W.; Eyck, J.; Kruse, K.; Schmitz, D.","Ternary rubidium rare-earth sulphides; synthesis and structure","European Journal of Solid State and Inorganic Chemistry","1996","33","","213","216","","","x-ray","0.71073","MoKα","","","0.034","","","","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030791","4.249","0.003","4.249","0.003","22.851","0.022","90","","90","","120","","357.3","0.5","","","293","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Ce Rb S2 -","- Ce Rb S2 -","- Ce3 Rb3 S6 -","3","0.0833333","","Bronger, W.; Eyck, J.; Kruse, K.; Schmitz, D.","Ternary rubidium rare-earth sulphides; synthesis and structure","European Journal of Solid State and Inorganic Chemistry","1996","33","","213","216","","","x-ray","0.71073","MoKα","","","0.036","","","","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030792","4.221","0.002","4.221","0.002","22.897","0.009","90","","90","","120","","353.3","0.3","","","293","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Pr Rb S2 -","- Pr Rb S2 -","- Pr3 Rb3 S6 -","3","0.0833333","","Bronger, W.; Eyck, J.; Kruse, K.; Schmitz, D.","Ternary rubidium rare-earth sulphides; synthesis and structure","European Journal of Solid State and Inorganic Chemistry","1996","33","","213","216","","","x-ray","0.71073","MoKα","","","0.052","","","","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030793","4.194","0.002","4.194","0.002","22.894","0.012","90","","90","","120","","348.7","0.3","","","293","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Nd Rb S2 -","- Nd Rb S2 -","- Nd3 Rb3 S6 -","3","0.0833333","","Bronger, W.; Eyck, J.; Kruse, K.; Schmitz, D.","Ternary rubidium rare-earth sulphides; synthesis and structure","European Journal of Solid State and Inorganic Chemistry","1996","33","","213","216","","","x-ray","0.71073","MoKα","","","0.026","","","","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030794","4.143","0.002","4.143","0.002","22.88","0.009","90","","90","","120","","340.1","0.3","","","293","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Rb S2 Sm -","- Rb S2 Sm -","- Rb3 S6 Sm3 -","3","0.0833333","","Bronger, W.; Eyck, J.; Kruse, K.; Schmitz, D.","Ternary rubidium rare-earth sulphides; synthesis and structure","European Journal of Solid State and Inorganic Chemistry","1996","33","","213","216","","","x-ray","0.71073","MoKα","","","0.022","","","","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030795","4.126","0.002","4.126","0.002","22.89","0.012","90","","90","","120","","337.5","0.3","","","293","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Eu Rb S2 -","- Eu Rb S2 -","- Eu3 Rb3 S6 -","3","0.0833333","","Bronger, W.; Eyck, J.; Kruse, K.; Schmitz, D.","Ternary rubidium rare-earth sulphides; synthesis and structure","European Journal of Solid State and Inorganic Chemistry","1996","33","","213","216","","","x-ray","0.71073","MoKα","","","0.022","","","","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030796","4.11","0.001","4.11","0.001","22.9","0.007","90","","90","","120","","335","0.15","","","293","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Gd Rb S2 -","- Gd Rb S2 -","- Gd3 Rb3 S6 -","3","0.0833333","","Bronger, W.; Eyck, J.; Kruse, K.; Schmitz, D.","Ternary rubidium rare-earth sulphides; synthesis and structure","European Journal of Solid State and Inorganic Chemistry","1996","33","","213","216","","","x-ray","0.71073","MoKα","","","0.028","","","","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030797","4.08","0.001","4.08","0.001","22.874","0.008","90","","90","","120","","329.76","0.16","","","293","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Rb S2 Tb -","- Rb S2 Tb -","- Rb3 S6 Tb3 -","3","0.0833333","","Bronger, W.; Eyck, J.; Kruse, K.; Schmitz, D.","Ternary rubidium rare-earth sulphides; synthesis and structure","European Journal of Solid State and Inorganic Chemistry","1996","33","","213","216","","","x-ray","0.71073","MoKα","","","0.044","","","","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030798","4.06","0.002","4.06","0.002","22.885","0.018","90","","90","","120","","326.7","0.3","","","293","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Dy Rb S2 -","- Dy Rb S2 -","- Dy3 Rb3 S6 -","3","0.0833333","","Bronger, W.; Eyck, J.; Kruse, K.; Schmitz, D.","Ternary rubidium rare-earth sulphides; synthesis and structure","European Journal of Solid State and Inorganic Chemistry","1996","33","","213","216","","","x-ray","0.71073","MoKα","","","0.019","","","","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030801","8.98","0.004","22.91","0.02","43.61","0.03","90","","90","","90","","8972","11","","","293","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- Cs0.64 I16 La9 N4 Na0.36 -","- Cs0.64 I16 La9 N4 Na0.36 -","- Cs5.12 I128 La72 N32 Na2.88 -","8","0.25","","Lulei, M.; Corbett, J. D.","A new rare-earth-metal nitride halide with unusual structural features: CsxNa(1-x)La9I16N4 - with a remark about the stoichiometric compounds ALa9I16N4 (A = Na, Rb, Cs)","European Journal of Solid State and Inorganic Chemistry","1996","33","","241","250","","","x-ray","0.71073","MoKα","","","0.023","","","0.031","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030802","11.309","0.0008","9.9477","0.0007","16.4911","0.0011","90","","90","","90","","1855.2","0.2","","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C2 Br9 La5 -","- C2 Br9 La5 -","- C8 Br36 La20 -","4","0.5","","Heuer, T.; Steffen, F.; Meyer, G.","Trigonal bipyramidal clusters with one face-capping bromide ligand in [La5(C2)]Br9 and [Ce5(C2)]Br9","European Journal of Solid State and Inorganic Chemistry","1996","33","","265","272","","","x-ray","0.71073","MoKα","","","0.042","","","0.0879","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030803","11.215","0.002","9.8543","0.0012","16.395","0.002","90","","90","","90","","1811.9","0.4","","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C2 Br9 Ce5 -","- C2 Br9 Ce5 -","- C8 Br36 Ce20 -","4","0.5","","Heuer, T.; Steffen, F.; Meyer, G.","Trigonal bipyramidal clusters with one face-capping bromide ligand in [La5(C2)]Br9 and [Ce5(C2)]Br9","European Journal of Solid State and Inorganic Chemistry","1996","33","","265","272","","","x-ray","0.71073","MoKα","","","0.0547","","","0.1399","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030804","6.341","0.002","6.834","0.002","4.3714","0.0009","90","","90","","90","","189.43","0.09","","","13","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Er F3 -","- Er F3 -","- Er4 F12 -","4","0.5","","Kramer, K.; Romstedt, H.; Gudel, H.-U.; Fischer, P.; Murasik, A.; Fernandez-Diaz, M. T.","Three dimensional magnetic structure of ErF3","European Journal of Solid State and Inorganic Chemistry","1996","33","","273","283","","","neutron","1.704","","","","","","","","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030805","13.1656","0.0006","10.11","0.001","6.9816","0.0005","90","","111.559","0.005","90","","864.27","0.12","","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H8 Mn O10 V2 -","- H8 Mn O10 V2 -","- H32 Mn4 O40 V8 -","4","0.5","","Liao, J.-H.; Drezen, T.; Leroux, F.; Guyomard, D.; Piffard, Y.","Synthesis, structures and thermal analysis of MnV2O6.nH2O phases (n = 1, 2 and 4)","European Journal of Solid State and Inorganic Chemistry","1996","33","","411","427","","","x-ray","0.71073","MoKα","","","0.021","","","0.023","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030806","5.6075","0.0004","10.9094","0.0007","12.03","0.002","90","","90","","90","","735.93","0.14","","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- H4 Mn O8 V2 -","- Mn O8 V2 -","- Mn4 O32 V8 -","4","0.5","","Liao, J.-H.; Drezen, T.; Leroux, F.; Guyomard, D.; Piffard, Y.","Synthesis, structures and thermal analysis of MnV2O6.nH2O phases (n = 1, 2 and 4)","European Journal of Solid State and Inorganic Chemistry","1996","33","","411","427","","","x-ray","0.71073","MoKα","","","0.024","","","0.027","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030807","5.8502","0.0005","6.7883","0.0001","7.937","0.0008","80.5","0.01","80.64","0.01","76.33","0.01","299.55","0.04","","","293","","","","","","","","","4","P -1","-P 1","2","","","","- H2 Mn O7 V2 -","- Mn O7 V2 -","- Mn2 O14 V4 -","2","1","","Liao, J.-H.; Drezen, T.; Leroux, F.; Guyomard, D.; Piffard, Y.","Synthesis, structures and thermal analysis of MnV2O6.nH2O phases (n = 1, 2 and 4)","European Journal of Solid State and Inorganic Chemistry","1996","33","","411","427","","","x-ray","0.71073","MoKα","","","0.024","","","0.031","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030808","15.565","0.002","7.133","0.001","13.533","0.002","90","","109.93","0.01","90","","1412.5","0.4","","","293","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C24 H16 Ag5 N5 O15 -","- C24 Ag5 N5 O15 -","- C48 Ag10 N10 O30 -","2","0.5","","Jaber, F.; Charbonnier, F.; Petit-Ramel, M.; Faure, R.","A new silver(I) carboxylate chelate type: a six-membered ring in the N-oxide-picolinate","European Journal of Solid State and Inorganic Chemistry","1996","33","","429","440","","","x-ray","0.71073","MoKα","","","0.033","","","0.043","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030809","5.995","0.003","3.598","0.001","6.806","0.004","90","","90","","90","","146.81","0.12","","","293","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ca D2 -","- Ca D2 -","- Ca4 D8 -","4","0.5","","Sichla, T.; Jacobs, H.","Single crystal X-ray structure determinations on calcium and strontium deuteride, CaD2 and SrD2","European Journal of Solid State and Inorganic Chemistry","1996","33","","453","461","","","x-ray","0.71073","MoKα","","","0.039","","","0.045","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030810","6.361","0.002","3.857","0.002","7.303","0.004","90","","90","","90","","179.17","0.15","","","293","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- D2 Sr -","- D2 Sr -","- D8 Sr4 -","4","0.5","","Sichla, T.; Jacobs, H.","Single crystal X-ray structure determinations on calcium and strontium deuteride, CaD2 and SrD2","European Journal of Solid State and Inorganic Chemistry","1996","33","","453","461","","","x-ray","0.56087","AgKα","","","0.02","","","0.023","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030811","7.193","0.001","23.138","0.004","6.209","0.002","90","","90","","90","","1033.4","0.4","","","293","","","","","","","","","5","I b a m","-I 2 2c","72","","","","- N5 Na O Rb4 W2 -","- N4.998 Na O1.002 Rb4 W2 -","- N19.992 Na4 O4.008 Rb16 W8 -","4","0.25","","Niewa, R.; Jacobs, H.","NaRb4[(WN2.5O0.5)2] and NaCs4[(WN2.5O0.5)2], the first oxo nitrido tungstates(VI) with infinite chains [WX2X2/22.5-] with X=N,O","European Journal of Solid State and Inorganic Chemistry","1996","33","","463","470","","","x-ray","0.56087","AgKα","","","0.023","","","0.026","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030812","7.43","0.001","24.318","0.003","6.261","0.002","90","","90","","90","","1131.3","0.4","","","293","","","","","","","","","5","I b a m","-I 2 2c","72","","","","- Cs4 N5 Na O W2 -","- Cs4 N4.998 Na O1.002 W2 -","- Cs16 N19.992 Na4 O4.008 W8 -","4","0.25","","Niewa, R.; Jacobs, H.","NaRb4[(WN2.5O0.5)2] and NaCs4[(WN2.5O0.5)2], the first oxo nitrido tungstates(VI) with infinite chains [WX2X2/22.5-] with X=N,O","European Journal of Solid State and Inorganic Chemistry","1996","33","","463","470","","","x-ray","0.71073","MoKα","","","0.025","","","0.027","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030813","8.787","0.003","5.016","0.002","15.606","0.006","90","","97.53","0.03","90","","681.9","0.4","","","296","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- As2 Co2 H K O8 -","- As2 Co2 H K O8 -","- As8 Co8 H4 K4 O32 -","4","1","","Jia-Cherng Horng; Fen-Ling Liao; Sue-Lein Wang","Hydrothermal synthesis and crystal structure of a layered cobalt(II) arsenate, KCo2(AsO4)(HAsO4)","European Journal of Solid State and Inorganic Chemistry","1996","33","","471","581","","","x-ray","0.71073","MoKα","","","0.0309","","","0.0334","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030814","3.8925","0.0003","3.8925","0.0003","12.682","0.003","90","","90","","90","","192.15","0.05","","","293","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Ba0.8 Cu2 K0.2 S2 -","- Ba0.4 Cu2 K0.101 S2 -","- Ba0.8 Cu4 K0.202 S4 -","2","0.0625","","Mouallem-Bahout, M.; Potel, M.; Halet, J.-F.; Padiou, J.; Carel, C.; Retat-Savel-Eva, M.","Synthesis, crystal structure and physical properties of new quaternary sulfides with the BaCu2S2-type","European Journal of Solid State and Inorganic Chemistry","1996","33","","483","493","","","x-ray","0.71073","MoKα","","","0.036","","","0.038","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030815","4.0027","0.0001","4.0027","0.0001","13.397","0.009","90","","90","","90","","214.64","0.14","","","293","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Cu Mn Rb S2 -","- Cu Mn Rb0.501 S2 -","- Cu2 Mn2 Rb1.002 S4 -","2","0.0625","","Mouallem-Bahout, M.; Potel, M.; Halet, J.-F.; Padiou, J.; Carel, C.; Retat-Savel-Eva, M.","Synthesis, crystal structure and physical properties of new quaternary sulfides with the BaCu2S2-type","European Journal of Solid State and Inorganic Chemistry","1996","33","","483","493","","","x-ray","0.71073","MoKα","","","0.026","","","0.031","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030816","5.1409","0.0005","18.197","0.002","7.1355","0.0003","90","","92.355","0.002","90","","666.95","0.1","","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- In Na3 O8 P2 -","- In Na3 O8 P2 -","- In4 Na12 O32 P8 -","4","1","","Kwang-Hwa Lii","Hydrothermal synthesis and crystal structure of Na3In(PO4)2","European Journal of Solid State and Inorganic Chemistry","1996","33","","519","526","","","x-ray","0.71073","MoKα","","","0.031","","","0.038","","","","","","","0.912","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030817","13.107","0.003","7.471","0.001","17.966","0.004","90","","90","","90","","1759.3","0.6","","","293","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- K4 Nb2 S11 -","- K4 Nb2 S11 -","- K16 Nb8 S44 -","4","1","","Bensch, W.; Durichen, P.","K4Nb2S11, the first niobium polysulfide with the monomeric anion Nb2S11(4-):","European Journal of Solid State and Inorganic Chemistry","1996","33","","527","536","","","x-ray","0.71073","MoKα","","","0.0386","","","0.05","","","","","","","1.61","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030819","3.328","0.0003","5.803","0.001","35.83","0.004","90","","90","","90","","691.96","0.16","","","293","","","","","","","","","3","P m 21 n","P -2ab -2","31","","","","- La0.809 Nb2.506 S5 -","- La0.9 Nb2.8 S5.3 -","- La3.6 Nb11.2 S21.2 -","4","1","","Meerschaut, A.; David, T.; Moelo, Y.; Rouxel, J.","Structural study of a commensurate composite niobium lanthanum sulfide compound","European Journal of Solid State and Inorganic Chemistry","1996","33","","551","561","","","x-ray","0.71073","MoKα","","","0.178","","","0.204","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030820","12.906","0.002","6.468","0.001","10.519","0.002","90","","90","","90","","878.1","0.3","","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- O5 P Ti Tl -","- O5 P Ti Tl -","- O40 P8 Ti8 Tl8 -","8","2","","Jannin, M.; Kilinsky, C.; Godefroy, G.; Jannot, B.; Sorokina, N. I.; Lee, D. Y.; Simonov, V. I.; Vronkova, V. I.; Yanoviskii, V. K.","Crystal structures and dielectric properties of compounds in the KTiOPP4-TlTiOPO4 and RbTiOPO4-TlTiOPO4 systems","European Journal of Solid State and Inorganic Chemistry","1996","33","","607","621","","","x-ray","0.71073","MoKα","","","0.042","","","0.043","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030821","12.842","0.002","6.414","0.001","10.588","0.001","90","","90","","90","","872.1","0.2","","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- K0.82 O5 P Ti Tl0.18 -","- K0.82 O5 P Ti Tl0.18 -","- K6.56 O40 P8 Ti8 Tl1.44 -","8","2","","Jannin, M.; Kilinsky, C.; Godefroy, G.; Jannot, B.; Sorokina, N. I.; Lee, D. Y.; Simonov, V. I.; Vronkova, V. I.; Yanoviskii, V. K.","Crystal structures and dielectric properties of compounds in the KTiOPP4-TlTiOPO4 and RbTiOPO4-TlTiOPO4 systems","European Journal of Solid State and Inorganic Chemistry","1996","33","","607","621","","","x-ray","0.71073","MoKα","","","0.02","","","0.023","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030822","12.946","0.003","6.491","0.001","10.547","0.003","90","","90","","90","","886.3","0.4","","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- O5 P Rb0.77 Ti Tl0.23 -","- O5 P Rb0.77 Ti Tl0.23 -","- O40 P8 Rb6.16 Ti8 Tl1.84 -","8","2","","Jannin, M.; Kilinsky, C.; Godefroy, G.; Jannot, B.; Sorokina, N. I.; Lee, D. Y.; Simonov, V. I.; Vronkova, V. I.; Yanoviskii, V. K.","Crystal structures and dielectric properties of compounds in the KTiOPP4-TlTiOPO4 and RbTiOPO4-TlTiOPO4 systems","European Journal of Solid State and Inorganic Chemistry","1996","33","","607","621","","","x-ray","0.71073","MoKα","","","0.021","","","0.023","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030823","12.792","0.003","5.559","0.001","10.283","0.002","90","","114.48","0.03","90","","665.5","0.3","","","293","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Bi2 O8 Te2 -","- Bi2 O8 Te2 -","- Bi8 O32 Te8 -","4","0.5","","Thomas, P.; Jeansannetas, B.; Champarnaud-Mesjard, J.-C.; Frit, B.","Crystal structure of a new mixed-valence bismuth oxotellurate Bi2Te(IV)Te(VI)O8","European Journal of Solid State and Inorganic Chemistry","1996","33","","637","646","","","x-ray","0.71073","MoKα","","","0.03","","","0.066","","","","","","","1.014","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030824","12.425","0.002","12.484","0.009","3.977","0.002","90","","90","","90","","616.9","0.6","","","293","","","","","","","","","4","P b a 2","P 2 -2ab","32","","","","- Ba Na0.5 Nb2.5 O7.5 -","- Ba Na0.5 Nb2.5 O7.5 -","- Ba4 Na2 Nb10 O30 -","4","1","","Foulon, G.; Ferriol, M.; Brenier, A.; Boulon, G.; Lecocq, S.","Obtention of good quality B2NaNb3O15 crystals: growth, characterization and structure of Nd3+ -doped single-crystal fibres","European Journal of Solid State and Inorganic Chemistry","1996","33","","673","686","","","x-ray","0.71073","MoKα","","","0.0517","","","0.1569","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030831","11.259","0.002","11.411","0.002","11.892","0.002","90","","90","","90","","1527.8","0.5","","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 B Br F14 -","","","4","1","","Frohn, H. J.; Giesen, M.; Welting, D.; Henkel, G.","Contributions to the chemistry of brominetrifluorides. Part 2. Bis(pentafluorophenyl)brominium cations with weak nucleophilic fluoroelementate anions","European Journal of Solid State and Inorganic Chemistry","1996","33","","841","853","","","x-ray","0.71073","MoKα","","","0.0479","","","0.0481","","","","","","","","","","","","189065","2020-10-21","18:00:00",""
"4030832","11.742","0.005","11.742","0.005","11.961","0.007","90","","90","","90","","1649.1","1.4","","","150","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C12 As Br F16 -","","","4","0.5","","Frohn, H. J.; Giesen, M.; Welting, D.; Henkel, G.","Contributions to the chemistry of brominetrifluorides. Part 2. Bis(pentafluorophenyl)brominium cations with weak nucleophilic fluoroelementate anions","European Journal of Solid State and Inorganic Chemistry","1996","33","","841","853","","","x-ray","0.71073","MoKα","","","0.0384","","","0.037","","","","","","","","","","","","189065","2020-10-21","18:00:00",""
"4030833","6.363","0.001","6.349","0.001","8.991","0.001","90","","90.09","0.01","90","","363.22","0.09","","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- F6 K Rb2 Sc -","- F6 K Rb2 Sc -","- F12 K2 Rb4 Sc2 -","2","0.5","","Faget, H.; Grannec, J.; Tressaud, A.; Rodriguez, V.; Roisnel, T.; Flerov, I. N.; Gorev, M. V.","Neutron powder refinements of the three structural forms of Rb2KScF6","European Journal of Solid State and Inorganic Chemistry","1996","33","","893","905","","powder diffraction","neutron","1.2272","","","","","","","","","","0.098","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030834","6.363","0.001","6.349","0.001","8.993","0.001","90","","89.9","0.01","90","","363.3","0.09","","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- F6 K Rb2 Sc -","- F6 K Rb2 Sc -","- F12 K2 Rb4 Sc2 -","2","0.5","","Faget, H.; Grannec, J.; Tressaud, A.; Rodriguez, V.; Roisnel, T.; Flerov, I. N.; Gorev, M. V.","Neutron powder refinements of the three structural forms of Rb2KScF6","European Journal of Solid State and Inorganic Chemistry","1996","33","","893","905","","powder diffraction","neutron","1.2272","","","","","","","","","","0.105","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030835","6.366","0.001","6.366","0.001","9.016","0.002","90","","90","","90","","365.38","0.11","","","240","","","","","","","","","4","I 4/m","-I 4","87","","","","- F6 K Rb2 Sc -","- F6 K Rb2 Sc -","- F12 K2 Rb4 Sc2 -","2","0.125","","Faget, H.; Grannec, J.; Tressaud, A.; Rodriguez, V.; Roisnel, T.; Flerov, I. N.; Gorev, M. V.","Neutron powder refinements of the three structural forms of Rb2KScF6","European Journal of Solid State and Inorganic Chemistry","1996","33","","893","905","","powder diffraction","neutron","1.2272","","","","","","","","","","0.047","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030836","9.019","0.001","9.019","0.001","9.019","0.001","90","","90","","90","","733.63","0.14","","","300","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- F6 K Rb2 Sc -","- F12 K2 Rb4 Sc2 -","- F24 K4 Rb8 Sc4 -","2","0.0104167","","Faget, H.; Grannec, J.; Tressaud, A.; Rodriguez, V.; Roisnel, T.; Flerov, I. N.; Gorev, M. V.","Neutron powder refinements of the three structural forms of Rb2KScF6","European Journal of Solid State and Inorganic Chemistry","1996","33","","893","905","","powder diffraction","neutron","1.2272","","","","","","","","","","0.039","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030840","10.376","0.001","13.726","0.001","9.328","0.001","90","","90","","90","","1328.5","0.2","","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- As3 Co F18 H3 O -","- As3 Co F18 O -","- As12 Co4 F72 O4 -","4","0.5","","Lutar, K.; Zemva, B.; Borrmann, H.","Novel type of oxonium salts H3OM(AsF6)3 (M = Co, Ni): syntheses, structures and some properties","European Journal of Solid State and Inorganic Chemistry","1996","33","","957","969","","","x-ray","0.71069","MoKα","","","0.03","","","0.074","","","","","","","1.334","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030841","10.326","0.001","13.702","0.002","18.671","0.002","90","","90.036","0.009","90","","2641.7","0.5","","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- As3 Co F18 H3 O -","- As3 Co F18 O -","- As24 Co8 F144 O8 -","8","2","","Lutar, K.; Zemva, B.; Borrmann, H.","Novel type of oxonium salts H3OM(AsF6)3 (M = Co, Ni): syntheses, structures and some properties","European Journal of Solid State and Inorganic Chemistry","1996","33","","957","969","","","x-ray","0.71069","MoKα","","","0.045","","","0.0114","","","","","","","1.43","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030842","3.862","0.001","3.862","0.001","6.822","0.001","90","","90","","120","","88.12","0.03","","","298","","","","","","","","","4","P -3","-P 3","147","","","","- Cu1.5 Na S2 V0.5 -","- Cu1.542 Na S2 V0.456 -","- Cu1.542 Na S2 V0.456 -","1","0.166667","","Mujica, C.; Llanos, J.; Carvajal, G.; Wittke, O.","Synthesis and crystal structure of Na2Cu3VS4","European Journal of Solid State and Inorganic Chemistry","1996","33","","987","992","","","x-ray","0.71073","MoKα","","","0.054","","","0.088","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030843","9.9385","0.0009","9.9385","0.0009","54.08","0.01","90","","90","","120","","4626","1","","","295","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- Br7 Cs4 K Re6 S8 -","- Br6.94 Cs3.948 K1.05 Re6 S7.902 -","- Br41.64 Cs23.688 K6.3 Re36 S47.412 -","6","0.166667","","Slougui, A.; Ferron, S.; Perrin, A.; Sergent, M.","Tetra-anionic units in octahedral Re6 thiobromides: the structure of Cs4KRe6S8Br7","European Journal of Solid State and Inorganic Chemistry","1996","33","","1001","1013","","","x-ray","0.71073","MoKα","","","0.026","","","0.048","","","","","","","1.155","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030844","9.895","0.002","10.488","0.002","7.856","0.001","90","","90.73","0.01","90","","815.2","0.2","","","293","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","","","- F12 Th Zr2 -","- F12 Th Zr2 -","- F48 Th4 Zr8 -","4","0.5","","Taoudi, A.; Mikou, A.; Laval, J. P.","Synthesis ans characterization of two new ordered crystallines phases close to ThF4-ZrF4 fluoride glasses. II: Crystal structure of ThZr2F12","European Journal of Solid State and Inorganic Chemistry","1996","33","","1051","1062","","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","","0.039","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030845","9.4513","0.0004","9.4513","0.0004","7.2036","0.001","90","","90","","120","","557.27","0.08","","","293","","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- Cl6 O Sr4 -","- Cl6 O Sr4 -","- Cl12 O2 Sr8 -","2","0.166667","","Hagemann, H.; Kubel, F.; Bill, H.","Crystal structure of Sr4OCl6","European Journal of Solid State and Inorganic Chemistry","1996","33","","1101","1109","","","x-ray","0.71073","MoKα","","","0.034","","","0.024","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030846","9.326","0.002","12.443","0.002","12.167","0.002","90","","107.82","0.02","90","","1344.2","0.4","","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C2 H10 Mn2 N2 S5 Sb2 -","- C2 Mn2 N2 S5 Sb2 -","- C8 Mn8 N8 S20 Sb8 -","4","1","","Bensch, W.; Schur, M.","Hydrothermal synthesis and crystal structures of the novel manganese(II) thioantimonates(III) Mn2Sb2S5(CH3NH2)2 and Mn2Sb2S5(NH2(CH3)3NH2) : layer compounds exhibiting hetero-cubane like building units","European Journal of Solid State and Inorganic Chemistry","1996","33","","1149","1160","","","x-ray","0.71073","MoKα","","","0.0204","","","0.0241","","","","","","","1.033","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030847","10.664","0.002","12.732","0.003","12.008","0.002","90","","116.57","0.03","90","","1458.2","0.6","","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H10 Mn2 N2 S5 Sb2 -","- C3 Mn2 N2 S5 Sb2 -","- C12 Mn8 N8 S20 Sb8 -","4","1","","Bensch, W.; Schur, M.","Hydrothermal synthesis and crystal structures of the novel manganese(II) thioantimonates(III) Mn2Sb2S5(CH3NH2)2 and Mn2Sb2S5(NH2(CH3)3NH2) : layer compounds exhibiting hetero-cubane like building units","European Journal of Solid State and Inorganic Chemistry","1996","33","","1149","1160","","","x-ray","0.71073","MoKα","","","0.0317","","","0.0415","","","","","","","1.08","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030850","16.45","0.006","9.279","0.003","12.707","0.004","90","","108.27","0.04","90","","1841.8","1.1","","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H28 S2 Ti -","- C18 S2 Ti -","- C72 S8 Ti4 -","4","0.5","","Senocq, F.; Viguier, N.; Gleizes, A.","Bis(eta5-cyclopentadienyl)bis(thiolato)titanium(IV) and zirconium(IV): synthesis and crystal structure of Cp2M(StBu)2 (M = Ti, Zr). Use of Cp2Ti(StBu)2 and Cp2Ti(SEt)2 as single-source precursors for the chemical vapour deposition of titanium sulfides","European Journal of Solid State and Inorganic Chemistry","1996","33","","1185","1197","","","x-ray","0.71073","MoKα","","","0.046","","","0.046","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030851","16.604","0.008","9.384","0.002","12.884","0.006","90","","107.86","0.02","90","","1910.7","1.4","","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H28 S2 Zr -","- C18 S2 Zr -","- C72 S8 Zr4 -","4","0.5","","Senocq, F.; Viguier, N.; Gleizes, A.","Bis(eta5-cyclopentadienyl)bis(thiolato)titanium(IV) and zirconium(IV): synthesis and crystal structure of Cp2M(StBu)2 (M = Ti, Zr). Use of Cp2Ti(StBu)2 and Cp2Ti(SEt)2 as single-source precursors for the chemical vapour deposition of titanium sulfides","European Journal of Solid State and Inorganic Chemistry","1996","33","","1185","1197","","","x-ray","0.71073","MoKα","","","0.035","","","0.036","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030852","15.71","0.003","12.984","0.003","18.219","0.004","90","","104.03","0.03","90","","3605.4","1.4","","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- K6 Nb4 S25 -","- K6 Nb4 S25 -","- K24 Nb16 S100 -","4","1","","Bensch, W.; Durichen, P.","K6Nb4S25, the first ternary niobium polysulfide exhibiting the complex anion [Nb4S25]6- : preparation and crystal structure determination","European Journal of Solid State and Inorganic Chemistry","1996","33","","1233","1240","","","x-ray","0.71073","MoKα","","","0.021","","","0.0259","","","","","","","1.48","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030853","5.58968","0.00004","5.58968","0.00004","22.0141","0.0002","90","","90","","120","","595.67","0.008","","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Al11 La Ni O19 -","- Al11.346 La0.965 Ni0.654 O19 -","- Al22.692 La1.93 Ni1.308 O38 -","2","0.0833333","","Slagtern, A.; Fjellvag, H.","Nickel distribution on aluminium sites in LaNiAl11O19","European Journal of Solid State and Inorganic Chemistry","1996","33","","1241","1252","","powder diffraction","x-ray","1.098","","","","","","","","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4063227","40.632","0.006","13.943","0.003","23.645","0.005","90","","92.42","0.015","90","","13383.7","4.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C560 H712 Cl16 O64 P16 Rh8 -","- C560 H712 Cl16 O64 P16 Rh8 -","- C560 H712 Cl16 O64 P16 Rh8 -","1","0.125","","Annemiek van Rooy; Paul C. J. Kamer; Piet W. N. M. van Leeuwen; Kees Goubitz; Jan Fraanje; Nora Veldman; Anthony L. Spek","Bulky Diphosphite-Modified Rhodium Catalysts: Hydroformylation and Characterization","Organometallics","1996","15","2","835","847","10.1021/om950549k","","","0.71073","MoKα","","0.1877","0.0815","","0.1643","0.1374","","","","0.935","1.169","1.169","","","","","has coordinates,has disorder","134621","2020-10-21","18:00:00",""
"4078324","8.936","0.001","9.0223","0.001","11.5637","0.001","103.165","0.011","101.212","0.01","97.836","0.01","874.41","0.17","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H42 F6 N4 O8 Pt2 S2 -","- C26 H42 F6 N4 O8 Pt2 S2 -","- C26 H42 F6 N4 O8 Pt2 S2 -","1","0.5","","Schmülling, Michael; Grove, David M.; van Koten, Gerard; van Eldik, Rudi; Veldman, Nora; Spek, A. L.","Comparative Rates of Ligand Substitution Reactions of Pt−C-Bonded Complexes in Aqueous Solution and the X-ray Crystal Structure of [Pt{C6H3(CH2NMe2)2-2,6}(OH2)][OSO2CF3]","Organometallics","1996","15","5","1384","","10.1021/om950474k","","","0.71073","MoKα","","","0","","0","","","","","0","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078328","11.1652","0.0004","11.1652","0.0004","8.0783","0.0004","90","","90","","90","","1007.05","0.07","293","2","293","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C18 H30 N4 Rh2 -","- C18 H30 N4 Rh2 -","- C36 H60 N8 Rh4 -","2","0.25","","Tejel, Cristina; Villoro, José M.; Ciriano, Miguel A.; López, José A.; Eguizábal, Eduardo; Lahoz, Fernando J.; Bakhmutov, Vladimir I.; Oro, Luis A.","Dynamic Behavior, Redistribution Reactions, and Intermetallic Distances of Dinuclear Bis(μ-pyrazolato)rhodium(I) Complexes","Organometallics","1996","15","13","2967","","10.1021/om960005y","","","0.71073","MoKα","","0.0157","0.0148","","0.0423","0.0395","","","","1.07","1.073","1.073","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078329","11.3552","0.0014","11.237","0.0011","25.185","0.004","90","","90.403","0.013","90","","3213.5","0.7","233","2","233","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 N8 Rh2 -","- C26 H24 N8 Rh2 -","- C104 H96 N32 Rh8 -","4","1","","Tejel, Cristina; Villoro, José M.; Ciriano, Miguel A.; López, José A.; Eguizábal, Eduardo; Lahoz, Fernando J.; Bakhmutov, Vladimir I.; Oro, Luis A.","Dynamic Behavior, Redistribution Reactions, and Intermetallic Distances of Dinuclear Bis(μ-pyrazolato)rhodium(I) Complexes","Organometallics","1996","15","13","2967","","10.1021/om960005y","","","0.71073","MoKα","","0.045","0.034","","0.1011","0.0914","","","","1.062","1.065","1.065","","","","","has coordinates,has disorder","178672","2020-10-21","18:00:00",""
"4078330","17.367","0.003","9.993","0.002","16.344","0.003","90","","97.76","0.01","90","","2810.5","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 N6 Rh2 -","- C24 H18 N6 Rh2 -","- C96 H72 N24 Rh8 -","4","1","","Tejel, Cristina; Villoro, José M.; Ciriano, Miguel A.; López, José A.; Eguizábal, Eduardo; Lahoz, Fernando J.; Bakhmutov, Vladimir I.; Oro, Luis A.","Dynamic Behavior, Redistribution Reactions, and Intermetallic Distances of Dinuclear Bis(μ-pyrazolato)rhodium(I) Complexes","Organometallics","1996","15","13","2967","","10.1021/om960005y","","","0.71073","MoKα","","0.1529","0.0565","","0.1458","0.1116","","","","1.009","1.121","1.121","","","","","has coordinates,has disorder","178672","2020-10-21","18:00:00",""
"4078331","6.7455","0.0006","16.1596","0.0013","12.9502","0.0009","90","","90","","90","","1411.6","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H6 N4 O4 Rh2 -","- C10 H6 N4 O4 Rh2 -","- C40 H24 N16 O16 Rh8 -","4","0.5","","Tejel, Cristina; Villoro, José M.; Ciriano, Miguel A.; López, José A.; Eguizábal, Eduardo; Lahoz, Fernando J.; Bakhmutov, Vladimir I.; Oro, Luis A.","Dynamic Behavior, Redistribution Reactions, and Intermetallic Distances of Dinuclear Bis(μ-pyrazolato)rhodium(I) Complexes","Organometallics","1996","15","13","2967","","10.1021/om960005y","","","0.71073","MoKα","","0.0381","0.0187","","0.0411","0.0379","","","","0.861","1.033","1.033","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078332","12.945","0.003","9.219","0.004","13.661","0.004","90","","93.96","0.02","90","","1626.4","0.9","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H54 Pb Si2 -","- C30 H54 Pb Si2 -","- C60 H108 Pb2 Si4 -","2","0.5","","Constantine, Steven P.; Hitchcock, Peter B.; Lawless, Gerard A.","Synthesis, Characterization, and Molecular Structure of Bis{(tert-butyldimethylsilyl)- tetramethylcyclopentadienyl}lead","Organometallics","1996","15","19","3905","","10.1021/om960511n","","","0.71073","MoKα","","0.074","0.0441","","0.1043","0.0954","","","","1.221","1.344","1.344","","","","","has coordinates,has disorder","178672","2020-10-21","18:00:00",""
"4078333","9.307","0.001","16.19","0.002","13.955","0.001","90","","96.35","0.01","90","","2089.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Mo2 O7 Ru -","- C20 H14 Mo2 O7 Ru -","- C80 H56 Mo8 O28 Ru4 -","4","1","","Adams, Harry; Gill, Louise J.; Morris, Michael J.","Rearrangement and Scission of Terminal Alkynes in Dimolybdenum Complexes on Reaction with Ruthenium Carbonyl: Formation of Trinuclear Vinylidene and Hexanuclear Bis(alkylidyne) Clusters","Organometallics","1996","15","20","4182","","10.1021/om960235c","","","0.71073","MoKα","","0.0498","0.0476","","0.1225","0.1205","","","","1.274","1.294","1.294","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078334","15.126","0.003","14.672","0.002","15.196","0.002","90","","91.81","0.01","90","","3370.7","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 Cl2 Mo2 O12 Ru4 -","- C27 H18 Cl2 Mo2 O12 Ru4 -","- C108 H72 Cl8 Mo8 O48 Ru16 -","4","1","","Adams, Harry; Gill, Louise J.; Morris, Michael J.","Rearrangement and Scission of Terminal Alkynes in Dimolybdenum Complexes on Reaction with Ruthenium Carbonyl: Formation of Trinuclear Vinylidene and Hexanuclear Bis(alkylidyne) Clusters","Organometallics","1996","15","20","4182","","10.1021/om960235c","","","0.71073","MoKα","","0.0436","0.0384","","0.1018","0.0985","","","","1.224","1.262","1.262","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078335","14.018","0.009","22.364","0.011","24.087","0.014","90","","101.32","0.05","90","","7404","7","210","2","210","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C98 H88 Li2 -","- C98 H88 Li2 -","- C392 H352 Li8 -","4","1","","Dohmeier, Carsten; Baum, Elke; Ecker, Achim; Köppe, Ralf; Schnöckel, Hansgeorg","Pentabenzylcyclopentadienides of Lithium","Organometallics","1996","15","22","4702","","10.1021/om960375m","","","0.71069","MoKa","","0.3228","0.0606","","0.1843","0.1119","","","","0.956","1.5","1.5","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078357","11.374","0.005","11.374","0.005","18.75","0.005","90","","90","","90","","2425.6","1.6","223","2","223","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C24 H32 Fe N2 O6 -","- C24 H32 Fe N2 O6 -","- C96 H128 Fe4 N8 O24 -","4","0.5","","Oberhoff, Markus; Duda, Lothar; Karl, Jörn; Mohr, Roland; Erker, Gerhard; Fröhlich, Roland; Grehl, Matthias","The Isocyanate Route to Cyclopentadienyl-Carboxamide- and Cyclopentadienyl-Amino Ester-Substituted Metallocene Complexes","Organometallics","1996","15","19","4005","","10.1021/om960234k","","","0.71073","MoKα","","0.088","0.0392","","0.1154","0.0993","","","","1.115","1.137","1.137","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078358","10.084","0.002","11.182","0.002","14.364","0.003","90","","92.2","0.02","90","","1618.5","0.5","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H21 Fe N O3 -","- C17 H21 Fe N O3 -","- C68 H84 Fe4 N4 O12 -","4","2","","Oberhoff, Markus; Duda, Lothar; Karl, Jörn; Mohr, Roland; Erker, Gerhard; Fröhlich, Roland; Grehl, Matthias","The Isocyanate Route to Cyclopentadienyl-Carboxamide- and Cyclopentadienyl-Amino Ester-Substituted Metallocene Complexes","Organometallics","1996","15","19","4005","","10.1021/om960234k","","","0.71073","MoKα","","0.1982","0.0591","","0.1552","0.113","","","","0.988","1.12","1.12","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078359","9.046","0.003","9.184","0.003","12.508","0.008","70.66","0.04","74.9","0.04","65.62","0.02","883.8","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H27 B8 Ir P2 S -","- C6 H27 B8 Ir P2 S -","- C12 H54 B16 Ir2 P4 S2 -","2","1","","Bould, Jonathan; Rath, Nigam P.; Barton, Lawrence","Metallaborane Heteroatom Incorporation Reactions: Metallacarboranes, Metallathiaboranes, and an Iridaazaborane from Iridanonaborane Precursors","Organometallics","1996","15","23","4916","","10.1021/om960313w","","","0.71073","MoKα","","0.0635","0.0521","","0.1389","0.1312","","","","1.044","1.077","1.077","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078360","9.385","0.007","9.485","0.007","12.466","0.009","69.14","0.05","74.5","0.05","63.63","0.03","921.1","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H29 B8 Ir P2 S -","- C6 H29 B8 Ir P2 S -","- C12 H58 B16 Ir2 P4 S2 -","2","1","","Bould, Jonathan; Rath, Nigam P.; Barton, Lawrence","Metallaborane Heteroatom Incorporation Reactions: Metallacarboranes, Metallathiaboranes, and an Iridaazaborane from Iridanonaborane Precursors","Organometallics","1996","15","23","4916","","10.1021/om960313w","","","0.71073","MoKα","","0.0358","0.0298","","0.0774","0.0727","","","","1.045","1.065","1.065","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078361","8.769","0.003","16.666","0.005","13.511","0.004","90","","97.12","0.02","90","","1959.3","1.1","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H29 B8 Ir O P2 -","- C9 H29 B8 Ir O P2 -","- C36 H116 B32 Ir4 O4 P8 -","4","1","","Bould, Jonathan; Rath, Nigam P.; Barton, Lawrence","Metallaborane Heteroatom Incorporation Reactions: Metallacarboranes, Metallathiaboranes, and an Iridaazaborane from Iridanonaborane Precursors","Organometallics","1996","15","23","4916","","10.1021/om960313w","","","0.71073","MoKα","","0.0634","0.0378","","0.0867","0.0766","","","","1.03","1.073","1.073","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078362","11.7902","0.0008","15.2863","0.0011","16.2122","0.0011","90","","105.288","0.006","90","","2818.5","0.3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H38 Cl Mo P3 -","- C29 H38 Cl Mo P3 -","- C116 H152 Cl4 Mo4 P12 -","4","1","","Abugideiri, Fatima; Fettinger, James C.; Keogh, D. Webster; Poli, Rinaldo","Four-Legged Piano Stool Molybdenum(II) Compounds without Carbonyl Ligands. 4. Cyclopentadienylmolybdenum(II) Complexes with 16-Electron and 18-Electron Configurations","Organometallics","1996","15","21","4407","","10.1021/om960331d","","","0.71073","MoKα","","0.1022","0.0611","","0.121","0.1067","","","","1.117","1.193","1.193","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078363","11.1404","0.0012","17.6283","0.0015","16.936","0.002","90","","107.922","0.009","90","","3164.6","0.6","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 Cl Mo P2 -","- C36 H39 Cl Mo P2 -","- C144 H156 Cl4 Mo4 P8 -","4","1","","Abugideiri, Fatima; Fettinger, James C.; Keogh, D. Webster; Poli, Rinaldo","Four-Legged Piano Stool Molybdenum(II) Compounds without Carbonyl Ligands. 4. Cyclopentadienylmolybdenum(II) Complexes with 16-Electron and 18-Electron Configurations","Organometallics","1996","15","21","4407","","10.1021/om960331d","","","0.71073","MoKα","","0.0649","0.0365","","0.0954","0.0812","","","","1.064","1.077","1.077","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078364","8.0735","0.0005","13.9677","0.0009","20.458","0.002","90","","90.3421","0.0007","90","","2307","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H37 Cl2 Nb P2 -","- C18 H37 Cl2 Nb P2 -","- C72 H148 Cl8 Nb4 P8 -","4","1","","Fettinger, J. C.; Keogh, D. Webster; Kraatz, Heinz-Bernhard; Poli, Rinaldo","Synthesis and Properties of Cyclopentadienylniobium(III) Complexes. A Magneto−Structural Correlation for 16-Electron Four-Legged Piano Stool Complexes†","Organometallics","1996","15","26","5489","","10.1021/om960384v","","","0.71073","MoKα","","0.0808","0.0498","","0.1382","0.1193","","","","1.038","1.068","1.068","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078365","8.995","0.006","23.659","0.015","12.756","0.008","90","","98.67","0.05","90","","2684","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[H(CpCo)3(1,1-Ph2-ethane)]+[CF3COO]- . H2O","","","- C31 H32 Co3 F3 O3 -","- C31 H30 Co3 F3 O3 -","- C124 H120 Co12 F12 O12 -","4","1","","Wadepohl, Hubert; Calhorda, Maria José; Herrmann, Michael; Jost, Christof; Lopes, Pedro E. M.; Pritzkow, Hans","Organometallic Cluster Complexes with Face-Capping Arene Ligands. 8. Nucleophilic Reactivity of Cluster Complexes with Face-Capping Arene Ligands: Metal vs Ligand Protonation†","Organometallics","1996","15","26","5622","","10.1021/om9605692","","","0.71073","MoKα","","0.098","0.0599","","0.1744","0.1537","","","","1.093","1.245","1.245","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078366","18.942","0.009","17.686","0.009","24.178","0.012","90","","105.36","0.03","90","","7811","7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[(CpCo)3(alpha-methylstyrene)]+[BPh4]- / 0.5 CH2Cl2","","","- C48.5 H46 B Cl Co3 -","- C48.5 H45.98 B Cl Co3 -","- C388 H367.84 B8 Cl8 Co24 -","8","1","","Wadepohl, Hubert; Calhorda, Maria José; Herrmann, Michael; Jost, Christof; Lopes, Pedro E. M.; Pritzkow, Hans","Organometallic Cluster Complexes with Face-Capping Arene Ligands. 8. Nucleophilic Reactivity of Cluster Complexes with Face-Capping Arene Ligands: Metal vs Ligand Protonation†","Organometallics","1996","15","26","5622","","10.1021/om9605692","","","0.7107","MoKα","","0.1328","0.0447","","0.1109","0.0878","","","","1.006","1.14","1.14","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117100","8.282","0.006","5.14","0.003","8.268","0.005","90","","90","","90","","352","0.4","156","0.2","156","0.2","","","","","","","","2","P b c n","-P 2n 2ab","60","1,1,2,3-Tetrafluoro-cyclopropene","1,1,2,3-Fluoro-cyclopropene","","- C3 F4 -","- C3 F4 -","- C12 F16 -","4","0.5","","Basil T. Abdo; Ian L. Alberts; Christopher J. Attfield; R. Eric Banks; Alexander J. Blake; Paul T. Brain; A. Peter Cox; Colin R. Pulham; David W. H. Rankin; Heather E. Robertson; Vincent Murtagh; Axel Heppeler; Carole Morrison","Perfluorocyclopropene: Experimental and Theoretical Studies of Its Structure in Gaseous, Solution, and Crystalline Phases","Journal of the American Chemical Society","1996","118","","209","216","10.1021/ja952620j","","","0.71073","MoKa","","0.0323","0.0283","","0.0771","0.07","","","","1.126","1.164","1.164","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117101","11.319","0.002","8.899","0.001","34.051","0.003","90","","90","","90","","3429.9","0.8","296","1","296","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(±)-2-amino-2'-hydroxy-3'-(methoxycarbonyl)-1,1'-binaphtyl","","- C22 H17 N O3 -","- C22 H17 N O3 -","- C176 H136 N8 O24 -","8","1","","Martin Smrčina; Štěpán Vyskočil; Vladimír Hanuš; Miroslav Polášek; Vratislav Langer; Benjamin G. M. Chew; David B. Zax; Hugh Verrier; Kevin Harper; Thomas A. Claxton; Pavel Kočovský","The SN2 Reaction in the Solid State. An Unusual, BAl2 Aminolysis of an Ester Group in Crystalline (\±)-2-Amino-2'-hydroxy-3'-(methoxycarbonyl)- 1,1'-binaphthyl Elucidated by X-ray Diffraction and Isotopic Labeling. New Experimental Evidence for Linearity in SN2 Substitution","Journal of the American Chemical Society","1996","118","","487","488","10.1021/ja951920y","","","0.71069","MoKα","","0.3578","0.0424","","0.2354","0.0973","","","","0.916","1.006","1.006","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117102","15.52","0.002","21.394","0.004","22.86","0.004","90","","99.07","0.02","90","","7495","2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H72 Au4 Cl2 O10 P4 S -","- C78 H72 Au4 Cl2 O10 P4 S -","- C312 H288 Au16 Cl8 O40 P16 S4 -","4","1","","José Vicente; M. Teresa Chicote; Rita Guerrero; Peter G. Jones","Synthesis of the First Complex with a Hypercoordinate Ylidic Carbon Atom. Crystal and Molecular Structure of [{Au(PPh3)}4CS(O)Me2](ClO4)2","Journal of the American Chemical Society","1996","118","","699","700","10.1021/ja953504j","","","0.71073","MoKα","","0.1034","0.0432","","0.0895","0.0766","","","","0.85","1.013","1.013","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117103","14.332","0.005","14.655","0.007","22.263","0.009","108.69","0.05","91.7","0.05","92.18","0.03","4422","3","103","","103","","","","","","","","","7","P -1","-P 1","2","","","","- C92 H92 B2 F8 Fe2 N12 O7 -","- C92 H74 B2 F8 Fe2 N12 O7 -","- C184 H148 B4 F16 Fe4 N24 O14 -","2","1","","Takaharu Ookubo; Hideki Sugimoto; Toshihiko Nagayama; Hideki Masuda; Takahisa Sato; Koji Tanaka; Yonezo Maeda; Hisashi Ōkawa; Yoshihito Hayashi; Akira Uehara; Masatatsu Suzuki","cis-μ-1,2-Peroxo Diiron Complex: Structure and Reversible Oxygenation","Journal of the American Chemical Society","1996","118","","701","702","10.1021/ja953705n","","","0.7107","MoKα","","","0.076","","","0.109","","","","","2.2","2.2","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117104","10.053","0.005","14.12","0.003","31.005","0.003","90","","90","","90","","4401","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H35 Cl N7 Ni O5 -","- C16 H35 Cl N7 Ni O5 -","- C128 H280 Cl8 N56 Ni8 O40 -","8","1","","Myunghyun Paik Suh; Kye Young Oh; Jae Woo Lee; Yeon Young Bae","Acetamide Coordination in a Nickel(I) Macrocyclic Complex: Synthesis, Properties, and X-ray Crystal Structure of a Five-Coordinate Nickel(I) Iminol Complex of 1,3,6,8,12,15-Hexaazatricyclo[13.3.1.18,12]icosane","Journal of the American Chemical Society","1996","118","","777","783","10.1021/ja953106g","","","0.71073","MoKα","","0.05","0.0447","","0.0983","0.0953","","","","1.104","1.111","1.111","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117105","9.815","0.01","11.45","0.009","20.686","0.024","95.41","0.08","99.84","0.09","111.22","0.07","2104","4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H63 Cd I O9 Zr2 -","- C27 H63 Cd I O9 Zr2 -","- C54 H126 Cd2 I2 O18 Zr4 -","2","1","","Michael Veith; Sanjay Mathur; Volker Huch","Designed Synthesis and Molecular Structure of the First Heterotermetallic Alkoxide","Journal of the American Chemical Society","1996","118","","903","904","10.1021/ja953255z","","","0.71073","MoKα","","0.0542","0.047","","0.1396","0.13","","","","1.054","1.059","1.059","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117106","23.198","0.02","12.937","0.011","19.331","0.02","90","","97.3","0.08","90","","5754","9","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H168 Ba2 Cd2 O24 Zr4 -","- C72 Ba2 Cd2 O24 Zr4 -","- C144 Ba4 Cd4 O48 Zr8 -","2","0.5","","Michael Veith; Sanjay Mathur; Volker Huch","Designed Synthesis and Molecular Structure of the First Heterotermetallic Alkoxide","Journal of the American Chemical Society","1996","118","","903","904","10.1021/ja953255z","","","0.71073","MoKα","","0.0961","0.0772","","0.2433","0.2211","","","","1.07","1.1","1.1","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117107","17.108","0.005","15.575","0.004","17.236","0.004","90","","102.95","0.03","90","","4476","2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H74 Li4 N2 O4 Si2 -","- C38 H74 Li4 N2 O4 Si2 -","- C152 H296 Li16 N8 O16 Si8 -","4","1","","Klas Sorger; Paul von Ragué Schleyer; Dietmar Stalke","Dimeric [3,3-Dimethyl-2-(trimethylsilyl)cyclopropenyl]- lithium-Tetramethylethylenediamine: Distortion of the Cyclopropenyl Geometry Due to Strong Rehybridization at the Lithiated Carbon","Journal of the American Chemical Society","1996","118","","1086","1091","10.1021/ja9521280","","","0.71073","mokα","","0.059","0.0476","","0.1339","0.1207","","","","1.037","1.063","1.063","","","","","has coordinates,has disorder","134499","2020-10-21","18:00:00",""
"4117108","16.272","0.007","21.323","0.004","13.051","0.004","90","","90","","90","","4528","3","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H40 Li2 O3 -","- C22 H40 Li2 O3 -","- C176 H320 Li16 O24 -","8","2","","Klas Sorger; Paul von Ragué Schleyer; Dietmar Stalke","Dimeric [3,3-Dimethyl-2-(trimethylsilyl)cyclopropenyl]- lithium-Tetramethylethylenediamine: Distortion of the Cyclopropenyl Geometry Due to Strong Rehybridization at the Lithiated Carbon","Journal of the American Chemical Society","1996","118","","1086","1091","10.1021/ja9521280","","","0.71073","MoKα","","0.0771","0.0682","","0.1909","0.1781","","","","1.054","1.055","1.055","","","","","has coordinates,has disorder","178942","2020-10-21","18:00:00",""
"4117109","8.756","0.002","11.058","0.002","12.495","0.003","104.92","0.03","109.44","0.03","100.15","0.03","1055.9","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H40 Li2 N2 O -","- C20 H40 Li2 N2 O -","- C40 H80 Li4 N4 O2 -","2","1","","Klas Sorger; Paul von Ragué Schleyer; Dietmar Stalke","Dimeric [3,3-Dimethyl-2-(trimethylsilyl)cyclopropenyl]- lithium-Tetramethylethylenediamine: Distortion of the Cyclopropenyl Geometry Due to Strong Rehybridization at the Lithiated Carbon","Journal of the American Chemical Society","1996","118","","1086","1091","10.1021/ja9521280","","","0.71073","MoKa","","0.062","0.0517","","0.1749","0.163","","","","1.085","1.117","1.117","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117110","12.321","0.006","10.28","0.005","12.601","0.007","90","","112.79","0.05","90","","1471.4","1.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 O Ti -","- C17 H22 O Ti -","- C68 H88 O4 Ti4 -","4","1","","William E. Crowe; An T. Vu","Direct Synthesis of Fused, Bicyclic γ-Butyrolactones via Tandem Reductive Cyclization-Carbonylation of Tethered Enals and Enones","Journal of the American Chemical Society","1996","118","","1557","1558","10.1021/ja9535874","","","0.71073","MoKα","","0.0823","0.0657","","0.265","0.1678","","","","1.156","1.165","1.165","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117111","7.72","0.002","8.996","0.002","11.45","0.002","100.294","0.012","101.75","0.02","97.36","0.02","754.7","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 O2 Ti -","- C18 H22 O2 Ti -","- C36 H44 O4 Ti2 -","2","1","","William E. Crowe; An T. Vu","Direct Synthesis of Fused, Bicyclic γ-Butyrolactones via Tandem Reductive Cyclization-Carbonylation of Tethered Enals and Enones","Journal of the American Chemical Society","1996","118","","1557","1558","10.1021/ja9535874","","","0.71073","MoKα","","0.0359","0.0342","","0.0913","0.0896","","","","1.061","1.067","1.067","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117112","36.356","0.013","19.737","0.004","28.161","0.011","90","","129.07","0.02","90","","15688","10","243","2","243","2","","","","","","","","5","C 1 2 1","C 2y","5","L-Ala DPDPE","Tyr-cyclo[D-Pen-Ala-Phe-D-Pen]","","- C124 H202 N20 O48.5 S8 -","- C124 H164 N20 O49.025 S8 -","- C496 H656 N80 O196.1 S32 -","4","1","","Nathan Collins; Judith L. Flippen-Anderson; Ronald C. Haaseth; Jeffery R. Deschamps; Clifford George; Katalin Kövér; Victor J. Hruby","Conformational Determinants of Agonist versus Antagonist Properties of [d-Pen2,d-Pen5]Enkephalin (DPDPE) Analogs at Opioid Receptors. Comparison of X-ray Crystallographic Structure, Solution 1H NMR Data, and Molecular Dynamic Simulations of [l-Ala3]DPDPE and [d-Ala3]DPDPE","Journal of the American Chemical Society","1996","118","","2143","2152","10.1021/ja9531081","","","1.54178","CuKα","","0.1451","0.0983","","0.2865","0.2315","","","","1.098","1.157","1.157","","","","","has coordinates,has Fobs","178942","2020-10-21","18:00:00",""
"4117113","12.271","0.002","9.6","0.002","18.75","0.004","90","","103.56","0.02","90","","2147.2","0.8","243","2","243","2","","","","","","","","5","P 1 21 1","P 2yb","4","D-Ala DPDPE","Tyr-cyclo[D-Pen-D-Ala-Phe-D-Pen]","","- C31 H61 N5 O17 S2 -","- C31 H40 N5 O16.897 S2 -","- C62 H80 N10 O33.794 S4 -","2","1","","Nathan Collins; Judith L. Flippen-Anderson; Ronald C. Haaseth; Jeffery R. Deschamps; Clifford George; Katalin Kövér; Victor J. Hruby","Conformational Determinants of Agonist versus Antagonist Properties of [d-Pen2,d-Pen5]Enkephalin (DPDPE) Analogs at Opioid Receptors. Comparison of X-ray Crystallographic Structure, Solution 1H NMR Data, and Molecular Dynamic Simulations of [l-Ala3]DPDPE and [d-Ala3]DPDPE","Journal of the American Chemical Society","1996","118","","2143","2152","10.1021/ja9531081","","","1.54178","CuKα","","0.1241","0.09","","0.2442","0.1978","","","","1.109","1.088","1.088","","","","","has coordinates,has Fobs","178942","2020-10-21","18:00:00",""
"4117114","18.631","0.002","19.482","0.002","18.518","0.002","90","","90","","90","","6721.5","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Z-[L-(alphaMe)Val]8-OtBu","","","- C60 H104 N8 O11 -","- C60 H104 N8 O11 -","- C240 H416 N32 O44 -","4","1","","Claudio Toniolo; Alessandra Polese; Fernando Formaggio; Marco Crisma; Johan Kamphuis","Circular Dichroism Spectrum of a Peptide 310-Helix","Journal of the American Chemical Society","1996","118","","2744","2745","10.1021/ja9537383","","","0.7107","MoKα","","0.2693","0.0568","","0.1872","0.1399","","","","0.715","1.148","1.148","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117115","10.941","0.009","13.861","0.01","13.141","0.008","90","","99.89","0.05","90","","1963","2","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C47 H47 N O6 -","- C47 H35 N O6 -","- C94 H70 N2 O12 -","2","1","","Yasushi Yokoyama; Soichi Uchida; Yayoi Yokoyama; Yoko Sugawara; Yukio Kurita","Diastereoselective Photochromism of an (R)-Binaphthol-Condensed Indolylfulgide","Journal of the American Chemical Society","1996","118","","3100","3107","10.1021/ja9523045","","","0.71069","MoKalpha","","0.0677","0.0494","","0.1634","0.1459","","","","1.018","1.04","1.04","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117116","19.573","0.003","12.454","0.004","15.066","0.003","90","","103.94","0.01","90","","3564.4","1.5","296.2","","296.2","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C19 H48 Cl3 N8 O18 P Zn2 -","- C19 H44 Cl3 N8 O18 P Zn2 -","- C76 H176 Cl12 N32 O72 P4 Zn8 -","4","1","","Tohru Koike; Masaki Inoue; Eiichi Kimura; Motoo Shiro","Novel Properties of Cooperative Dinuclear Zinc(II) Ions: The Selective Recognition of Phosphomonoesters and Their P-O Ester Bond Cleavage by a New Dinuclear Zinc(II) Cryptate","Journal of the American Chemical Society","1996","118","","3091","3099","10.1021/ja953413m","","","1.5418","CuKα","","","0.036","","","0.051","","","","","1.4","1.4","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4117117","15.037","0.005","13.862","0.005","15.78","0.004","90","","90.29","0.02","90","","3289.2","1.8","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H43 Cl3 N8 O13 Zn2 -","- C31 Cl3 N8 O17 Zn2 -","- C124 Cl12 N32 O68 Zn8 -","4","1","","Tohru Koike; Masaki Inoue; Eiichi Kimura; Motoo Shiro","Novel Properties of Cooperative Dinuclear Zinc(II) Ions: The Selective Recognition of Phosphomonoesters and Their P-O Ester Bond Cleavage by a New Dinuclear Zinc(II) Cryptate","Journal of the American Chemical Society","1996","118","","3091","3099","10.1021/ja953413m","","","1.5418","CuKα","","","0.109","","","0.111","","","","","5.27","5.27","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4117118","9.64","0.002","9.104","0.002","12.935","0.004","90","","103.27","","90","","1104.9","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H30 Br N O6 -","- C20 H30 Br N O6 -","- C40 H60 Br2 N2 O12 -","2","1","","Stephen F. Martin; Kenneth J. Barr","Vinylogous Mannich Reactions. The Asymmetric Total Synthesis of (+)-Croomine","Journal of the American Chemical Society","1996","118","","3299","3300","10.1021/ja9542146","","","0.71073","MoKα","","0.1197","0.0486","","0.0918","0.0733","","","","1.01","1.137","1.137","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117119","9.343","0.001","10.124","0.001","22.733","0.002","90","","90","","90","","2150.3","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 Br N O6 -","- C20 H30 Br N O6 -","- C80 H120 Br4 N4 O24 -","4","1","","Stephen F. Martin; Kenneth J. Barr","Vinylogous Mannich Reactions. The Asymmetric Total Synthesis of (+)-Croomine","Journal of the American Chemical Society","1996","118","","3299","3300","10.1021/ja9542146","","","0.71073","MoKα","","0.1039","0.048","","0.0872","0.0725","","","","1.031","1.092","1.092","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117120","9.198","0.001","12.56","0.001","14.297","0.001","90","","90","","90","","1651.7","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C72 H100 N4 O16 -","4","1","","Stephen F. Martin; Kenneth J. Barr","Vinylogous Mannich Reactions. The Asymmetric Total Synthesis of (+)-Croomine","Journal of the American Chemical Society","1996","118","","3299","3300","10.1021/ja9542146","","","0.71073","MoKα","","0.0964","0.0485","","0.1092","0.0888","","","","1.018","1.08","1.08","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117121","6.204","0.001","10.988","0.001","24.18","0.004","90","","90","","90","","1648.3","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C72 H100 N4 O16 -","4","1","","Stephen F. Martin; Kenneth J. Barr","Vinylogous Mannich Reactions. The Asymmetric Total Synthesis of (+)-Croomine","Journal of the American Chemical Society","1996","118","","3299","3300","10.1021/ja9542146","","","0.71073","MoKα","","0.0942","0.0562","","0.1538","0.1256","","","","0.986","1.001","1.001","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117122","7.572","0.001","34.424","0.006","6.321","0.001","90","0","90","0","90","0","1647.6","0.4","293","","","","","","","","","","(+-)-1-phenylethylammonium a-methylcinnamate 1a-7b","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C72 H84 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0548","","","0.0531","","","","","8.0509","8.0509","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117123","9.884","0.002","29.104","0.004","5.75","0.001","89.962","0.014","106.449","0.014","89.994","0.011","1586.4","0.5","293","","","","","","","","","","(+-)-1-phenylethylammonium p-chlorocinnamate 1a-7c","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H18 Cl N O2 -","- C17 H18 Cl N O2 -","- C68 H72 Cl4 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0419","","","0.0429","","","","","7.6533","7.6533","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117124","14.645","0.004","15.402","0.005","6.142","0.002","90","0","90","0","90","0","1385.4","0.7","293","","","","","","","","","","(+-)-1-phenylethylammonium benzoate 1a-9a","4","P b n 21","P 2c -2ab","33","","","","- C15 H17 N O2 -","- C16 H16 N O2 -","- C64 H64 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.046","","","0.038","","","","","7.4424","7.4424","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117125","12.796","0.001","17.17","0.002","6.772","0.001","90","0","103.24","0.01","90","0","1448.3","0.3","293","","","","","","","","","","(+-)-1-phenylethylammonium o-chlorobenzoate 1a-9b","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Cl N O2 -","- C15 H16 Cl N O2 -","- C60 H64 Cl4 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0395","","","0.0403","","","","","9.4702","9.4702","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117126","19.838","0.006","6.356","0.002","7.032","0.002","90","0","90.137","0.025","90","0","886.7","0.5","293","","","","","","","","","","(+-)-1-phenylethylammonium p-t-butylbenzoate 1a-9d","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N O2 -","- C19 H25 N O2 -","- C38 H50 N2 O4 -","2","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.1095","","","0.1221","","","","","27.203","27.203","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117127","32.088","0.005","6.219","0.001","7.225","0.001","90","0","92.609","0.014","90","0","1440.3","0.4","293","","","","","","","","","","(+-)-1-phenylethylammonium m-chlorobenzoate 1a-9f","5","P 1 21/a 1","-P 2yab","14","","","","- C15 H16 Cl N O2 -","- C15 H16 Cl N O2 -","- C60 H64 Cl4 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0539","","","0.0554","","","","","12.915","12.915","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117128","24.116","0.004","6.056","0.001","9.856","0.001","90","0","100.261","0.012","90","0","1416.4","0.4","293","","","","","","","","","","(+-)-1-phenylethylammonium p-chlorobenzoate 1a-9g","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Cl N O2 -","- C15 H16 Cl N O2 -","- C60 H64 Cl4 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0597","","","0.0631","","","","","10.618","10.618","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117129","21.224","0.003","5.917","0.001","15.326","0.002","90","0","102.76","0.01","90","0","1877.1","0.5","293","","","","","","","","","","(+-)-1-phenylethylammonium 1,1-diphenylacetate 1a-10e","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C88 H92 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0853","","","0.0792","","","","","15.764","15.764","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117130","14.901","0.002","18.377","0.002","5.97","0.001","90","0","90","0","90","0","1634.8","0.4","293","","","","","","","","","","(+-)-1-(2-methylphenyl)ethylammonium cinnamate 1b-7a","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C72 H84 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0444","","","0.0452","","","","","10.536","10.536","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117131","10.541","0.001","26.326","0.003","5.831","0.001","90","0","90","0","90","0","1618.1","0.4","293","","","","","","","","","","(+-)-p-tolylethylammonium cinnamate 1c-7a","4","P b n 21","P 2c -2ab","33","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C72 H84 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0347","","","0.0349","","","","","6.4965","6.4965","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117132","11.123","0.001","17.726","0.002","9.252","0.001","98.827","0.008","90.134","0.008","81.084","0.009","1780.4","0.3","293","","","","","","","","","","(+-)1-(1-naphthyl)ethylammonium cinnamate 3-7a","4","P -1","-P 1","2","","","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C84 H84 N4 O8 -","4","2","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0716","","","0.078","","","","","20.24","20.24","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117133","13.659","0.002","20.024","0.003","6.357","0.001","90","0","90","0","90","0","1738.7","0.5","293","","","","","","","","","","(R)-1-(1-naphthyl)ethylammonium phenylacetate 3-10b","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0374","","","0.034","","","","","6.1179","6.1179","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117134","22.352","0.005","6.672","0.002","13.488","0.004","90","0","105.563","0.019","90","0","1937.8","0.9","293","","","","","","","","","","(+-)-a-o-tolylbenzylammonium cinnamate 6-7a","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N O2 -","- C23 H23 N O2 -","- C92 H92 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0725","","","0.0729","","","","","11.298","11.298","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117135","9.376","0.001","28.353","0.004","6.076","0.001","90","0","90","0","90","0","1615.2","0.4","293","","","","","","","","","","(R)-1-phenylethylammonium p-chlorocinnamate (R)-1a-7c","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cl N O2 -","- C17 H18 Cl N O2 -","- C68 H72 Cl4 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0546","","","0.0671","","","","","12.289","12.289","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117136","13.326","0.004","6.172","0.002","11.885","0.003","90","0","114.9","0.02","90","0","886.7","0.5","293","","","","","","","","","","(R)-1-phenylethylammonium (Z)-3-phenyl-2-pentenoate (R)-1a-8a","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O2 -","- C19 H21.4 N O2 -","- C38 H42.8 N2 O4 -","2","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0641","","","0.0575","","","","","9.7643","9.7643","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117137","7.182","0.001","32.302","0.005","6.256","0.002","90","0","90","0","90","0","1451.3","0.6","293","","","","","","","","","","(R)-1-phenylethylammonium m-chlorobenzoate (R)-1a-9f","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Cl N O2 -","- C15 H16 Cl N O2 -","- C60 H64 Cl4 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0574","","","0.0652","","","","","12.902","12.902","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117138","10.089","0.001","23.117","0.002","5.973","0.001","90","","90","","90","","1393.1","0.3","293","","","","","","","","","","(R)-1-phenylethylammonium p-chlorobenzoate (R)-1a-9g","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Cl N O2 -","- C15 H16 Cl N O2 -","- C60 H64 Cl4 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0492","","","0.0573","","","","","13.16","13.16","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117139","13.7394","0.0014","20.421","0.002","14.8567","0.0015","90","","99.119","0.008","90","","4115.7","0.7","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H47 Cl F6 Mo O2 P3 -","- C41 H47 Cl F6 Mo O2 P3 -","- C164 H188 Cl4 F24 Mo4 O8 P12 -","4","1","","James C. Fettinger; D. Webster Keogh; Rinaldo Poli","Stable Mononuclear, 17-Electron Molybdenum(III) Carbonyl Complexes. Synthesis, Structure, Thermal Decomposition, and Cl-Addition Reactions","Journal of the American Chemical Society","1996","118","","3617","3625","10.1021/ja9540738","","","0.71073","MoKα","","0.0648","0.0459","","0.1211","0.1077","","","","1.057","1.066","1.066","","","","","has coordinates,has disorder","178942","2020-10-21","18:00:00",""
"4117140","13.16","0.002","10.942","0.002","25.01","0.003","90","","95.225","0.01","90","","3586.4","1","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H35 Cl F7 Mo N2 P3 -","- C35 H35 Cl F7 Mo N2 P3 -","- C140 H140 Cl4 F28 Mo4 N8 P12 -","4","1","","James C. Fettinger; D. Webster Keogh; Rinaldo Poli","Stable Mononuclear, 17-Electron Molybdenum(III) Carbonyl Complexes. Synthesis, Structure, Thermal Decomposition, and Cl-Addition Reactions","Journal of the American Chemical Society","1996","118","","3617","3625","10.1021/ja9540738","","","0.71073","MoKα","","0.043","0.0411","","0.1198","0.1181","","","","1.098","1.115","1.115","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117141","15","0.01","13.53","0.01","19.95","0.01","90","","111.53","0.02","90","","3766","4","156","","156","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C76 H17 Co -","- C76 H17 Co -","- C304 H68 Co4 -","4","1","","María-José Arce; Argimiro L. Viado; Yi-Zhong An; Saeed I. Khan; Yves Rubin","Triple Scission of a Six-Membered Ring on the Surface of C60 via Consecutive Pericyclic Reactions and Oxidative Cobalt Insertion","Journal of the American Chemical Society","1996","118","","3775","3776","10.1021/ja9601200","","","0.7107","MoKα","","","0.076","","","0.081","","","","","2.04","2.04","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117142","20.618","0.002","20.6184","","27.923","0.002","90","","90","","120","","10280","1.2","293","","293","","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","","","- C24 H108 Cl12 Cu4 N12 O8 P4 Pd6 -","- C144 Cl72 Cu24 N72 O48 P24 Pd36 -","- C144 Cl72 Cu24 N72 O48 P24 Pd36 -","","","","Takahiro Hosokawa; Minoru Takano; Shun-Ichi Murahashi","The First Isolation and Characterization of a Palladium-Copper Heterometallic Complex Bearing μ4-Oxo Atom Derived from Molecular Oxygen","Journal of the American Chemical Society","1996","118","","3990","3991","10.1021/ja953514k","","","0.7107","MoKalpha","","","0.051","","","0.037","","","","","2.35","2.35","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117143","17.675","0.003","9.932","0.006","18.457","0.006","90","","107.34","0.02","90","","3093","2","293","","293","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H72 Cl12 Cu2 N12 O4 P4 Pd4 -","- C48 H144 Cl24 Cu4 N24 O8 P8 Pd8 -","- C48 H144 Cl24 Cu4 N24 O8 P8 Pd8 -","","","","Takahiro Hosokawa; Minoru Takano; Shun-Ichi Murahashi","The First Isolation and Characterization of a Palladium-Copper Heterometallic Complex Bearing μ4-Oxo Atom Derived from Molecular Oxygen","Journal of the American Chemical Society","1996","118","","3990","3991","10.1021/ja953514k","","","0.7107","MoKalpha","","","0.08","","","0.097","","","","","4.2","4.2","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117144","5.8088","0.0003","17.976","0.002","18.213","0.002","90","0.009","90","0.006","90","0.007","1901.8","0.3","293","","293","","","","","","","","See Experimental","3","P 21 21 21","P 2ac 2ab","19","","1β-tert-butoxy-6-(E)-ethylidene-3aα,4α,5,6,7,8,9,9a-octahydro-9aβ-methyl -7-oxo-4β-cyclopentacyclooctenecarboxylic acid methyl ester","","- C20 H32 O4 -","- C20 H32 O4 -","- C80 H128 O16 -","4","1","","Chao-Jun Li; Dong-Li Chen; Yue-Qi Lu; John X. Haberman; Joel T. Mague","Novel Carbocyle Enlargement in Aqueous Medium","Journal of the American Chemical Society","1996","118","","4216","4217","10.1021/ja960489p","","","0.71073","Mo-Kα,graphitemonochromated","","0.076","0.043","","","0.06","","","","","2.006","2.006","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117145","8.255","0.001","12.338","0.003","16.482","0.002","76.592","0.013","87.44","0.03","71.871","0.012","1551.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cl2 N3 O7 P3 -","- C28 H28 Cl2 N3 O7 P3 -","- C56 H56 Cl4 N6 O14 P6 -","2","1","","Krystyna Brandt; Iwona Porwolik; Anna Olejnik; Robert A. Shaw; David B. Davies; Michael B. Hursthouse; Georgia D. Sykara","Regioselective Sodium Cation-Assisted Synthesis of the First Bis-Transannular Cyclotriphosphazatriene Derivatives of a Chiral Ligand Type","Journal of the American Chemical Society","1996","118","","4496","4497","10.1021/ja960201w","","","0.71069","MoKα","","0.0752","0.0477","","0.1136","0.1091","","","","0.841","1.048","1.048","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117146","11.11","0.004","11.74","0.002","11.823","0.002","84.64","0.02","79.9","0.02","77.981","0.011","1482.3","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cl2 N3 O7 P3 -","- C28 H28 Cl2 N3 O7 P3 -","- C56 H56 Cl4 N6 O14 P6 -","2","1","","Krystyna Brandt; Iwona Porwolik; Anna Olejnik; Robert A. Shaw; David B. Davies; Michael B. Hursthouse; Georgia D. Sykara","Regioselective Sodium Cation-Assisted Synthesis of the First Bis-Transannular Cyclotriphosphazatriene Derivatives of a Chiral Ligand Type","Journal of the American Chemical Society","1996","118","","4496","4497","10.1021/ja960201w","","","0.71069","MoKα","","0.068","0.0591","","0.1567","0.1545","","","","1.056","1.174","1.174","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117147","12.571","0.004","10.579","0.004","15.212","0.004","90","","107.84","0.03","90","","1925.7","1.1","143","2","143","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C36 H32 Au2 Cl6 Fe P2 S -","- C36 H32 Au2 Cl6 Fe P2 S -","- C72 H64 Au4 Cl12 Fe2 P4 S2 -","2","0.5","","Fernando Canales; M. Concepción Gimeno; Antonio Laguna; Peter G. Jones","Aurophilicity at Sulfur Centers. Synthesis and Reactivity of the Complex [S(Au2dppf)]; Formation of Polynuclear Sulfur-Centered Complexes. Crystal Structures of [S(Au2dppf)].2CHCl3, [(μ-Au2dppf){S(Au2dppf)}2](OTf)2. 8CHCl3, and [S(AuPPh2Me)2(Au2dppf)](ClO4)2.3CH2Cl2","Journal of the American Chemical Society","1996","118","","4839","4845","10.1021/ja9517678","","","0.71073","MoKα","","0.0465","0.0404","","0.1147","0.1005","","","","1.072","1.063","1.063","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117148","15.177","0.003","18.408","0.004","27.894","0.008","88.83","0.02","84.46","0.02","67.78","0.02","7179","3","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C112 H92 Au6 Cl24 F6 Fe3 O6 P6 S4 -","- C112 H92 Au6 Cl24 F6 Fe3 O6 P6 S4 -","- C224 H184 Au12 Cl48 F12 Fe6 O12 P12 S8 -","2","1","","Fernando Canales; M. Concepción Gimeno; Antonio Laguna; Peter G. Jones","Aurophilicity at Sulfur Centers. Synthesis and Reactivity of the Complex [S(Au2dppf)]; Formation of Polynuclear Sulfur-Centered Complexes. Crystal Structures of [S(Au2dppf)].2CHCl3, [(μ-Au2dppf){S(Au2dppf)}2](OTf)2. 8CHCl3, and [S(AuPPh2Me)2(Au2dppf)](ClO4)2.3CH2Cl2","Journal of the American Chemical Society","1996","118","","4839","4845","10.1021/ja9517678","","","0.71073","MoKα","","0.1907","0.0786","","0.2178","0.1783","","","","0.865","1.13","1.13","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117149","13.727","0.002","15.952","0.003","17.763","0.002","71.738","0.012","73.264","0.014","75.96","0.02","3487.3","1","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C63 H60 Au4 Cl8 Fe O8 P4 S -","- C63 H54 Au4 Cl8.02 Fe O8 P4 S -","- C126 H108 Au8 Cl16.04 Fe2 O16 P8 S2 -","2","1","","Fernando Canales; M. Concepción Gimeno; Antonio Laguna; Peter G. Jones","Aurophilicity at Sulfur Centers. Synthesis and Reactivity of the Complex [S(Au2dppf)]; Formation of Polynuclear Sulfur-Centered Complexes. Crystal Structures of [S(Au2dppf)].2CHCl3, [(μ-Au2dppf){S(Au2dppf)}2](OTf)2. 8CHCl3, and [S(AuPPh2Me)2(Au2dppf)](ClO4)2.3CH2Cl2","Journal of the American Chemical Society","1996","118","","4839","4845","10.1021/ja9517678","","","0.71073","MoKα","","0.1371","0.0768","","0.1945","0.157","","","","1.086","1.117","1.117","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117150","8.175","0.0009","8.3775","0.0007","16.256","0.002","90","","92.058","0.005","90","","1112.6","0.2","293","2","293","2","","","","","","","synthesis","6","P 1 21/c 1","-P 2ybc","14","","Technetium(ii) hexakis(acetonitrile) bis tetrafluoroborate","","- C12 H18 B2 F8 N6 Tc -","- C12 H18 B2 F8 N6 Tc -","- C24 H36 B4 F16 N12 Tc2 -","2","0.5","","F. Albert Cotton; Steven C. Haefner; Alfred P. Sattelberger","Metal-Metal Multiply-Bonded Complexes of Technetium. 4.1Photodissociation of the Tc\τbTc Triple Bond in [Tc2(CH3CN)10][BF4]4","Journal of the American Chemical Society","1996","118","","5486","5487","10.1021/ja9604727","","","0.71073","MoKα","","0.0584","0.0498","","0.1422","0.1345","","","","1.139","1.187","1.187","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117151","15.055","0.003","15.795","0.003","17.069","0.003","90","","115","0.03","90","","3678.6","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H32 Cl2 N4 Ni -","- C46 H30 Cl2 N4 Ni -","- C184 H120 Cl8 N16 Ni4 -","4","1","","Piotr J. Chmielewski; Lechosław Latos-Grażyński; Tadeusz Głowiak","Reactions of Nickel(II) 2-Aza-5,10,15,20-tetraphenyl-21- carbaporphyrin with Methyl Iodide. The First Structural Characterization of a Paramagnetic Organometallic Nickel(II) Complex","Journal of the American Chemical Society","1996","118","","5690","5701","10.1021/ja9527028","","","1.5418","CuKα","","0.0692","0.0691","","0.185","0.1849","","","","1.047","1.048","1.048","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117152","12.946","0.003","23.519","0.005","13.945","0.003","90","","93.2","0.03","90","","4239.3","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H39 I N4 Ni -","- C52 H35 I N4 Ni -","- C208 H140 I4 N16 Ni4 -","4","1","","Piotr J. Chmielewski; Lechosław Latos-Grażyński; Tadeusz Głowiak","Reactions of Nickel(II) 2-Aza-5,10,15,20-tetraphenyl-21- carbaporphyrin with Methyl Iodide. The First Structural Characterization of a Paramagnetic Organometallic Nickel(II) Complex","Journal of the American Chemical Society","1996","118","","5690","5701","10.1021/ja9527028","","","1.5418","CuKα","","0.0562","0.0562","","0.144","0.144","","","","1.08","1.08","1.08","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117153","16.349","0.004","10.226","0.002","13.352","0.004","90","","92.07","0.02","90","","2230.8","1","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H35 Al Cl N3 Si3 -","- C13 H35 Al Cl N3 Si3 -","- C52 H140 Al4 Cl4 N12 Si12 -","4","1","","Norbert Emig; Régis Réau; Harald Krautscheid; Dieter Fenske; Guy Bertrand","Synthesis and Structure of the First Chiral Tetracoordinated Aluminum Cation","Journal of the American Chemical Society","1996","118","","5822","5823","10.1021/ja953700q","","","0.71069","MoKa","","0.036","0.0292","","0.083","0.0788","","","","1.033","1.071","1.071","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117154","9.992","0.004","11.97","0.004","13.16","0.005","82.62","0.03","68.94","0.03","89.17","0.03","1455.8","1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H36 Al2 Cl5 N3 Si3 -","- C13 H36 Al2 Cl5 N3 Si3 -","- C26 H72 Al4 Cl10 N6 Si6 -","2","1","","Norbert Emig; Régis Réau; Harald Krautscheid; Dieter Fenske; Guy Bertrand","Synthesis and Structure of the First Chiral Tetracoordinated Aluminum Cation","Journal of the American Chemical Society","1996","118","","5822","5823","10.1021/ja953700q","","","0.71069","MoKa","","0.0559","0.0374","","0.1026","0.0916","","","","1.034","1.06","1.06","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117155","9.113","0.003","9.226","0.002","16.011","0.003","91.81","0.02","91.31","0.02","106.72","0.03","1287.9","0.6","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H40 Li2 N4 -","- C24 H40 Li2 N4 -","- C48 H80 Li4 N8 -","2","1","","Hans J. Reich; Birgir Ö. Gudmundsson","Solution Structure of 2-[(Dimethylamino)methyl]phenyllithium1","Journal of the American Chemical Society","1996","118","","6074","6075","10.1021/ja960677f","","","1.54178","CuKα","","0.1388","0.0794","","0.2412","0.1913","","","","1.027","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117156","8.0115","0.0004","12.8872","0.0006","15.3184","0.0007","90","","90","","90","","1581.56","0.13","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 N3 O3 -","- C16 H24 N3 O3 -","- C64 H96 N12 O12 -","4","1","","Stephen F. Nelsen; Rustem F. Ismagilov; Douglas R. Powell","Charge Localization in a Dihydrazine Analogue of Tetramethyl-p-phenylenediamine Radical Cation","Journal of the American Chemical Society","1996","118","","6313","6314","10.1021/ja960500l","","","0.71073","MoKα","","0.0361","0.0336","","0.0862","0.0828","","","","1.073","1.052","1.052","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117157","6.5","0.0005","7.2299","0.0005","13.3764","0.001","94.301","0.002","99.039","0.002","105.083","0.002","594.98","0.08","133","2","133","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H42 N4 -","- C26 H42 N4 -","- C26 H42 N4 -","1","0.5","","Stephen F. Nelsen; Rustem F. Ismagilov; Douglas R. Powell","Charge Localization in a Dihydrazine Analogue of Tetramethyl-p-phenylenediamine Radical Cation","Journal of the American Chemical Society","1996","118","","6313","6314","10.1021/ja960500l","","","0.71073","MoKα","","0.0524","0.045","","0.1226","0.1109","","","","1.058","1.033","1.033","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117158","14.8524","0.0002","13.9105","0.0003","40.8752","0.0002","90","","90","","90","","8445","0.2","133","2","133","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C50 H62 B N4 -","- C50 H62 B N4 -","- C400 H496 B8 N32 -","8","1","","Stephen F. Nelsen; Rustem F. Ismagilov; Douglas R. Powell","Charge Localization in a Dihydrazine Analogue of Tetramethyl-p-phenylenediamine Radical Cation","Journal of the American Chemical Society","1996","118","","6313","6314","10.1021/ja960500l","","","0.71073","MoKα","","0.1097","0.0642","","0.1398","0.1133","","","","1.168","1.176","1.176","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117159","10.987","0.003","11.25","0.002","12.389","0.002","90","","90","","90","","1531.3","0.6","193","2","293","2","","","","","","","Ronald C. Newbold","5","P 21 21 21","P 2ac 2ab","19","OsO4-diamine complex","Osmium tetraoxide - (R,R)-trans-1,2-bispyrollidinecyclohexane complex","","- C14 H26 N2 O4 Os -","- C14 H26 N2 O4 Os -","- C56 H104 N8 O16 Os4 -","4","1","","E. J. Corey; Sepehr Sarshar; Mihai D. Azimioara; Ronald C. Newbold; Mark C. Noe","X-ray Crystal and NMR Structure of a Highly Reactive Bidentate 1,2-Diamine-OsO4 Complex, Formally a 20-Electron Outer Valence Shell Species. Mechanistic Implications for the 1,2-Diamine-Accelerated Dihydroxylation of Olefins by OsO4","Journal of the American Chemical Society","1996","118","","7851","7852","10.1021/ja960536d","","","0.71073","MoKα","","0.0534","0.0441","","0.1114","0.1041","","","","1.003","1.012","1.012","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117160","9.905","0.001","20.819","0.003","8.337","0.004","90","","90","","90","","1719.2","0.9","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 O2 S -","- C84 H64 O8 S4 -","- C84 H64 O8 S4 -","","","","Masami Sakamoto; Masaki Takahashi; Shin Moriizumi; Kentaro Yamaguchi; Tsutomu Fujita; Shoji Watanabe","Solid State Photochemistry: Absolute Asymmetric Photocyclization of an Achiral S-Arylo-Benzoylbenzothioate to an Optically Active Phthalide Involving a Novel Phenyl Migration","Journal of the American Chemical Society","1996","118","","8138","8139","10.1021/ja960823h","","","1.5418","CuKalpha","","","0.054","","","0.054","","","","","2.46","2.46","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117161","9.126","0.001","11.685","0.001","8.529","0.002","99.64","0.02","105.42","0.02","76.613","0.01","847.5","0.2","23","","23","","","","","","","","","4","P 1","P 1","1","","","","- C21 H16 O2 S -","- C42 H32 O4 S2 -","- C42 H32 O4 S2 -","","","","Masami Sakamoto; Masaki Takahashi; Shin Moriizumi; Kentaro Yamaguchi; Tsutomu Fujita; Shoji Watanabe","Solid State Photochemistry: Absolute Asymmetric Photocyclization of an Achiral S-Arylo-Benzoylbenzothioate to an Optically Active Phthalide Involving a Novel Phenyl Migration","Journal of the American Chemical Society","1996","118","","8138","8139","10.1021/ja960823h","","","1.5418","CuKalpha","","","0.087","","","0.101","","","","","8.58","8.58","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117162","7.381","0.007","21.298","0.012","8.414","0.01","90","","108.92","0.08","90","","1251","2","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","N-4-[4-amino-(N-6-formyl-N-6-beta-ribofuranosyl)pyrimidin-5-yl]-5-methyl-2'- deoxycytidine","","- C20 H31 N7 O11 -","- C20 H31 N7 O11 -","- C40 H62 N14 O22 -","2","1","","Carole Saintomé; Pascale Clivio; Alain Favre; Jean-Louis Fourrey; Claude Riche","RNA Photolabeling Mechanistic Studies: X-ray Crystal Structure of the Photoproduct Formed between 4-Thiothymidine and Adenosine upon Near UV Irradiation","Journal of the American Chemical Society","1996","118","","8142","8143","10.1021/ja961329g","","","1.5418","CuKα","","","0.067","","","0.086","","","","","1.04","1.04","","","","","has coordinates","190331","2020-10-21","18:00:00",""
"4117163","8.4967","0.0006","20.73","0.002","15.2484","0.001","90","","90.277","0.006","90","","2685.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cp*2Cr2(B4H8)Fe(CO)3","","- C23 H38 B4 Cr2 Fe O3 -","- C23 H38 B4 Cr2 Fe O3 -","- C92 H152 B16 Cr8 Fe4 O12 -","4","1","","Hisako Hashimoto; Maoyu Shang; Thomas P. Fehlner","Clusters as Ligands. Coordination of an Electronically Unsaturated Chromaborane to an Iron Tricarbonyl Fragment","Journal of the American Chemical Society","1996","118","","8164","8165","10.1021/ja9616387","","","0.71073","MoKα","","0.0755","0.0508","","0.1254","0.1073","","","","1.086","1.088","1.088","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117164","14.755","0.009","24.965","0.01","19.58","0.01","90","","111.56","0.04","90","","6708","6","23","","23","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H54 Cl2 Mo2 N4 O4 P4 -","- C280 H208 Cl32 Mo8 N16 O16 P16 -","- C280 H208 Cl32 Mo8 N16 O16 P16 -","","","","Kazushi Mashima; Hiroshi Nakano; Akira Nakamura","Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X2M...Mo-Mo...MX2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M = Pd, Pt; X = Cl, Br, I)","Journal of the American Chemical Society","1996","118","","9083","9095","10.1021/ja960606g","","","0.7107","MoKalpha","","","0.0615","","","0.0821","","","","","2.378","2.378","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117165","24.262","0.004","12.3","0.003","31.521","0.006","90","","112.86","0.01","90","","8668","3","23","","23","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C74 H64 Cl16 Mo2 N4 O4 P4 Pd2 -","- C304 H240 Cl80 Mo8 N16 O16 P16 Pd8 -","- C304 H240 Cl80 Mo8 N16 O16 P16 Pd8 -","","","","Kazushi Mashima; Hiroshi Nakano; Akira Nakamura","Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X2M...Mo-Mo...MX2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M = Pd, Pt; X = Cl, Br, I)","Journal of the American Chemical Society","1996","118","","9083","9095","10.1021/ja960606g","","","0.7107","MoKalpha","","","0.084","","","0.064","","","","","2.97","2.97","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117166","32.54","0.005","12.461","0.004","19.759","0.003","90","","104.25","0.01","90","","7765","3","23","","23","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C71 H58 Br4 Cl6 Mo2 N4 O4 P4 Pd2 -","- C304 H208 Br16 Cl64 Mo8 N16 O16 P16 Pd8 -","- C304 H208 Br16 Cl64 Mo8 N16 O16 P16 Pd8 -","","","","Kazushi Mashima; Hiroshi Nakano; Akira Nakamura","Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X2M...Mo-Mo...MX2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M = Pd, Pt; X = Cl, Br, I)","Journal of the American Chemical Society","1996","118","","9083","9095","10.1021/ja960606g","","","0.7107","MoKalpha","","","0.0678","","","0.0582","","","","","2.852","2.852","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117167","24.273","0.002","12.278","0.003","31.545","0.006","90","","112.87","0.01","90","","8662","3","23","","23","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C72 H60 Cl12 Mo2 N4 O4 P4 Pt2 -","- C288 H240 Cl48 Mo8 N16 O16 P16 Pt8 -","- C288 H240 Cl48 Mo8 N16 O16 P16 Pt8 -","","","","Kazushi Mashima; Hiroshi Nakano; Akira Nakamura","Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X2M...Mo-Mo...MX2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M = Pd, Pt; X = Cl, Br, I)","Journal of the American Chemical Society","1996","118","","9083","9095","10.1021/ja960606g","","","0.7107","MoKalpha","","","0.054","","","0.09","","","","","2.73","2.73","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117168","17.455","0.003","17.4548","","25.971","0.006","90","","90","","90","","7913","2","23","","23","","","","","","","","","9","I 41","I 4bw","80","","","","- C72 H60 Br2 Cl8 Mo2 N4 O4 P4 Pd2 -","- C288 H240 Br8 Cl32 Mo8 N16 O16 P16 Pd8 -","- C288 H240 Br8 Cl32 Mo8 N16 O16 P16 Pd8 -","","","","Kazushi Mashima; Hiroshi Nakano; Akira Nakamura","Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X2M...Mo-Mo...MX2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M = Pd, Pt; X = Cl, Br, I)","Journal of the American Chemical Society","1996","118","","9083","9095","10.1021/ja960606g","","","0.7107","MoKalpha","","","0.029","","","0.027","","","","","2.09","2.09","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117169","16.074","0.007","16.807","0.007","28.194","0.004","90","","94.97","0.02","90","","7588","5","23","","23","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C69 H54 Cl2 I2 Mo2 N4 O4 P4 Pd2 -","- C276 H216 Cl8 I8 Mo8 N16 O16 P16 Pd8 -","- C276 H216 Cl8 I8 Mo8 N16 O16 P16 Pd8 -","","","","Kazushi Mashima; Hiroshi Nakano; Akira Nakamura","Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X2M...Mo-Mo...MX2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M = Pd, Pt; X = Cl, Br, I)","Journal of the American Chemical Society","1996","118","","9083","9095","10.1021/ja960606g","","","0.7107","MoKalpha","","","0.068","","","0.084","","","","","5.3","5.3","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117170","17.407","0.002","17.4071","","25.798","0.003","90","","90","","90","","7816.9","1.3","23","","23","","","","","","","","","8","I 41","I 4bw","80","","","","- C72 H60 Cl10 Mo2 N4 O4 P4 Pt2 -","- C288 H208 Cl40 Mo8 N16 O16 P16 Pt8 -","- C288 H208 Cl40 Mo8 N16 O16 P16 Pt8 -","","","","Kazushi Mashima; Hiroshi Nakano; Akira Nakamura","Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X2M...Mo-Mo...MX2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M = Pd, Pt; X = Cl, Br, I)","Journal of the American Chemical Society","1996","118","","9083","9095","10.1021/ja960606g","","","0.7107","MoKalpha","","","0.028","","","0.031","","","","","1.1","1.1","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117171","16.077","0.003","16.592","0.003","27.861","0.002","90","","96.106","0.01","90","","7390","2","23","","23","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C69 H54 Br2 Cl2 Mo2 N4 O4 P4 Pt2 -","- C276 H216 Br8 Cl8 Mo8 N16 O16 P16 Pt8 -","- C276 H216 Br8 Cl8 Mo8 N16 O16 P16 Pt8 -","","","","Kazushi Mashima; Hiroshi Nakano; Akira Nakamura","Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X2M...Mo-Mo...MX2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M = Pd, Pt; X = Cl, Br, I)","Journal of the American Chemical Society","1996","118","","9083","9095","10.1021/ja960606g","","","0.7107","MoKalpha","","","0.053","","","0.069","","","","","1.82","1.82","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117172","16.137","0.003","16.815","0.003","28.274","0.001","90","","94.887","0.008","90","","7644","2","23","","23","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C69 H54 Cl2 I2 Mo2 N4 O4 P4 Pt2 -","- C280 H224 Cl16 I8 Mo8 N16 O16 P16 Pt8 -","- C280 H224 Cl16 I8 Mo8 N16 O16 P16 Pt8 -","","","","Kazushi Mashima; Hiroshi Nakano; Akira Nakamura","Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X2M...Mo-Mo...MX2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M = Pd, Pt; X = Cl, Br, I)","Journal of the American Chemical Society","1996","118","","9083","9095","10.1021/ja960606g","","","0.7107","MoKalpha","","","0.06","","","0.078","","","","","2.18","2.18","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117173","17.0389","0.0003","9.9887","0.0001","51.1596","0.0007","90","","91.352","0.001","90","","8704.8","0.2","198","2","198","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C70 O9 Ru3 S2 -","- C70 O9 Ru3 S2 -","- C560 O72 Ru24 S16 -","8","1","","Hsiu-Fu Hsu; John R. Shapley","Ru3(CO)9(μ3-η2,η2,η2-C60): A Cluster Face-Capping, Arene-Like Complex of C60","Journal of the American Chemical Society","1996","118","","9192","9193","10.1021/ja962077m","","","0.71073","MoKα","","0.107","0.0763","","0.1617","0.145","","","","1.194","1.25","1.25","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117174","19.092","0.003","19.716","0.003","21.55","0.003","90","","90","","90","","8112","2","293","2","293","2","","","","","","","Methanol/Dichlormethane","7","P b c a","-P 2ac 2ab","61","","Bis[Hydrotris(3-cumyl-5-methyl-pyrazol-1-yl)- borato-zink-hydroxid]-hydro-perchlorat","","- C39 H47 B Cl N6 O5 Zn -","- C39 H47 B Cl0.5 N6 O3 Zn -","- C312 H376 B8 Cl4 N48 O24 Zn8 -","8","1","","Michael Ruf; Karl Weis; Heinrich Vahrenkamp","Zn-O2H3-Zn: a Coordination Mode of the Hydrolytic Zinc-Aqua Function and a Possible Structural Motif for Oligozinc Enzymes","Journal of the American Chemical Society","1996","118","","9288","9294","10.1021/ja960629v","","","0.71073","MoKα","","0.1314","0.0557","","0.2134","0.1442","","","","1.056","1.011","1.011","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117175","15.068","0.001","15.601","0.001","17.734","0.001","99.57","0.007","105.19","0.008","113.43","0.007","3515.1","0.5","293","2","293","2","","","","","","","Methanol","7","P -1","-P 1","2","","Bis[Hydrotris(3-(3'-pyridyl)-5-methyl-pyrazole-1-yl)borato-zinc-hydroxide] hydroperchlorate","","- C57 H66 B2 Cl N18 O9.5 Zn2 -","- C57 H66 B2 Cl N18 O9.5 Zn2 -","- C114 H132 B4 Cl2 N36 O19 Zn4 -","2","1","","Michael Ruf; Karl Weis; Heinrich Vahrenkamp","Zn-O2H3-Zn: a Coordination Mode of the Hydrolytic Zinc-Aqua Function and a Possible Structural Motif for Oligozinc Enzymes","Journal of the American Chemical Society","1996","118","","9288","9294","10.1021/ja960629v","","","0.71073","MoKα","","0.2066","0.0678","","0.2651","0.1699","","","","1.065","1.037","1.037","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117176","16.431","0.0015","21.604","0.002","20.159","0.002","90","","97.55","0.008","90","","7093.9","1.2","293","2","293","2","","","","","","","Benzene-Ethanol-Dichlormethane","7","P 1 21/n 1","-P 2yn","14","Bis[Hydrotris(3-(4'-methyl-3'-pyridyl)-5-methyl-pyrazol-1-yl)borato -zinc-hydroxide]hydroperchlorate","","","- C62 H75 B2 Cl N18 O9 Zn2 -","- C62 H75 B2 Cl N18 O9 Zn2 -","- C248 H300 B8 Cl4 N72 O36 Zn8 -","4","1","","Michael Ruf; Karl Weis; Heinrich Vahrenkamp","Zn-O2H3-Zn: a Coordination Mode of the Hydrolytic Zinc-Aqua Function and a Possible Structural Motif for Oligozinc Enzymes","Journal of the American Chemical Society","1996","118","","9288","9294","10.1021/ja960629v","","","0.71073","MoKα","","0.2103","0.0804","","0.3166","0.2077","","","","1.068","1.083","1.083","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117177","8.211","0.002","8.211","0.002","58.657","0.013","90","","90","","90","","3954.7","1.6","198","2","198","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C22 H29 N O4 -","- C22 H29 N O4 -","- C176 H232 N8 O32 -","8","1","","Robert M. Coates; Zhanqi Ho; Michael Klobus; Scott R. Wilson","Stereochemistry and Reactions of Presilphiperfolanol: A Branch Point Marker in Triquinane Sesquiterpene Biogenesis","Journal of the American Chemical Society","1996","118","","9249","9254","10.1021/ja961582g","","","0.71073","MoKα","","0.2111","0.1243","","0.4414","0.3297","","","","1.101","1.198","1.198","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117178","7.093","0.001","9.897","0.001","13.79","0.001","86.99","0.01","85.97","0.01","79.57","0.01","948.92","0.18","295.2","","295.2","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 Co2 O7 -","- C17 Co2 O7 -","- C34 Co4 O14 -","2","1","","Judit Sóvágó; M. Gary Newton; Evgenia A. Mushina; Ferenc Ungváry","Intermediate Complexes in the Octacarbonyl Dicobalt-Initiated Living Polymerization of 3-Methyl-1,2-butadiene","Journal of the American Chemical Society","1996","118","","9589","9596","10.1021/ja9542404","","","1.5418","CuKalpha","","","0.0698","","","0.0812","","","","","6.078","6.078","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117179","17.732","0.001","7.0943","0.0007","20.284","0.003","90","","109.246","0.008","90","","2409","0.5","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H24 Co2 O7 -","- C22 H24 Co2 O7 -","- C88 H96 Co8 O28 -","4","1","","Judit Sóvágó; M. Gary Newton; Evgenia A. Mushina; Ferenc Ungváry","Intermediate Complexes in the Octacarbonyl Dicobalt-Initiated Living Polymerization of 3-Methyl-1,2-butadiene","Journal of the American Chemical Society","1996","118","","9589","9596","10.1021/ja9542404","","","1.5418","CuKalpha","","","0.0447","","","0.0448","","","","","2.827","2.827","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117180","12.566","0.004","14.312","0.002","19.365","0.005","90","","102.64","0.01","90","","3398.3","1.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sodium ion complexed cucurbituril","","","- C36 H82 N24 Na4 O43 S2 -","- C36 H68 N24 Na4 O43 S2 -","- C72 H136 N48 Na8 O86 S4 -","2","0.5","","You-Moon Jeon; Jaheon Kim; Dongmok Whang; Kimoon Kim","Molecular Container Assembly Capable of Controlling Binding and Release of Its Guest Molecules: Reversible Encapsulation of Organic Molecules in Sodium Ion Complexed Cucurbituril","Journal of the American Chemical Society","1996","118","","9790","9791","10.1021/ja962071x","","","0.71073","MoKα","","0.0762","0.0649","","0.1872","0.178","","","","1.095","1.161","1.161","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117181","12.592","0.005","14.268","0.001","19.428","0.008","90","","102.6","0.02","90","","3406","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sodium ion complexed cucurbituril","","","- C40 H84 N24 Na4 O41 S2 -","- C40 H68 N24 Na4 O41 S2 -","- C80 H136 N48 Na8 O82 S4 -","2","0.5","","You-Moon Jeon; Jaheon Kim; Dongmok Whang; Kimoon Kim","Molecular Container Assembly Capable of Controlling Binding and Release of Its Guest Molecules: Reversible Encapsulation of Organic Molecules in Sodium Ion Complexed Cucurbituril","Journal of the American Chemical Society","1996","118","","9790","9791","10.1021/ja962071x","","","0.71073","MoKα","","0.0852","0.0664","","0.1616","0.1515","","","","1.132","1.227","1.227","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117182","10.988","0.003","21.98","0.005","22.108","0.005","110.05","0.01","101.77","0.02","92.94","0.01","4868","2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H69 N O5.5 P -","- C52 H68 N O5.5 P -","- C208 H272 N4 O22 P4 -","4","2","","Musa A. Said; Melanie Pülm; Regine Herbst-Irmer; Kumara K. C. Swamy","Bi- and Tricyclic Penta- and Hexacoordinated Phosphoranes with Varying Ring Sizes: Synthesis, Structures, and Reactivity","Journal of the American Chemical Society","1996","118","","9841","9849","10.1021/ja960554v","","","0.71073","MoKa","","0.1236","0.0732","","0.2256","0.1768","","","","1.02","1.048","1.048","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117183","10.582","0.001","27.9","0.003","9.255","0.001","90","","106.57","0.01","90","","2619","0.5","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 Cl2 N O5 P -","- C29 H26 Cl2 N O5 P -","- C116 H104 Cl8 N4 O20 P4 -","4","1","","Musa A. Said; Melanie Pülm; Regine Herbst-Irmer; Kumara K. C. Swamy","Bi- and Tricyclic Penta- and Hexacoordinated Phosphoranes with Varying Ring Sizes: Synthesis, Structures, and Reactivity","Journal of the American Chemical Society","1996","118","","9841","9849","10.1021/ja960554v","","","0.71073","MoKα","","0.0599","0.042","","0.1011","0.0917","","","","1.019","1.058","1.058","","","","","has coordinates,has disorder","178942","2020-10-21","18:00:00",""
"4117184","17.463","0.005","12.558","0.002","30.426","0.007","90","","90","","90","","6672","3","153","2","153","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H36 Cl2 N O5 P -","- C36 H36 Cl2 N O5 P -","- C288 H288 Cl16 N8 O40 P8 -","8","2","","Musa A. Said; Melanie Pülm; Regine Herbst-Irmer; Kumara K. C. Swamy","Bi- and Tricyclic Penta- and Hexacoordinated Phosphoranes with Varying Ring Sizes: Synthesis, Structures, and Reactivity","Journal of the American Chemical Society","1996","118","","9841","9849","10.1021/ja960554v","","","0.71073","MoKa","","0.0619","0.0461","","0.1141","0.0978","","","","1.069","1.045","1.045","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117185","36.021","0.002","36.021","0.002","10.646","0.002","90","","90","","120","","11963","2","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C33.67 H23.67 N O5.17 P -","- C33.68 H23.7 N O5.17 P -","- C606.24 H426.6 N18 O93.06 P18 -","18","1","","Musa A. Said; Melanie Pülm; Regine Herbst-Irmer; Kumara K. C. Swamy","Bi- and Tricyclic Penta- and Hexacoordinated Phosphoranes with Varying Ring Sizes: Synthesis, Structures, and Reactivity","Journal of the American Chemical Society","1996","118","","9841","9849","10.1021/ja960554v","","","0.71073","MoKα","","0.0655","0.041","","0.0989","0.0889","","","","1.03","1.099","1.099","","","","","has coordinates,has disorder","178942","2020-10-21","18:00:00",""
"4117186","9.1536","0.0006","11.4395","0.0008","17.4905","0.0012","94.316","0.001","91.129","0.001","102.764","0.001","1779.9","0.2","123","","123","2","","","","","","","Crystal grown by electrocrystallization","5","P -1","-P 1","2","Bis(ethylenedithio)tetrathiafulvalenium 1-pentafluorothio-2,2-difluoroethane-2-sulfonate (2:1)","","","- C22 H18 F7 O3 S18 -","- C22 H18 F7 O3 S18 -","- C44 H36 F14 O6 S36 -","2","1","","Urs Geiser; John A. Schlueter; H. Hau Wang; Aravinda M. Kini; Jack M. Williams; Paul P. Sche; Halina I. Zakowicz; Michael L. VanZile; James D. Dudek; Paul G. Nixon; Rolf W. Winter; Gary L. Gard; J. Ren; M.-H. Whangbo","Superconductivity at 5.2 K in an Electron Donor Radical Salt of Bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) with the Novel Polyfluorinated Organic Anion SF~5~CH~2~CF~2~SO~3~^-^","Journal of the American Chemical Society","1996","118","","9996","9997","10.1021/ja962188l","","","0.71073","MoKα","","","0.046","","","0.045","","","","","1.635","1.635","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117187","9.523","0.001","7.05","0.001","13.747","0.002","90","","96.73","0.01","90","","916.6","0.2","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H14 N2 O3 -","- C7 H14 N2 O3 -","- C28 H56 N8 O12 -","4","1","","Christer B. Aakeröy; Deirdre P. Hughes; Mark Nieuwenhuyzen","The Oxamate Anion: A Flexible Building Block of Hydrogen-Bonded Architectures for Crystal Engineering","Journal of the American Chemical Society","1996","118","","10134","10140","10.1021/ja953296v","","","0.71073","MoKα","","0.0434","0.0347","","0.0925","0.0863","","","","1.05","1.07","1.07","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117188","10.206","0.006","7.598","0.005","19.784","0.018","90","","94.86","0.05","90","","1528.6","1.9","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N7 O7 -","- C12 H13 N7 O7 -","- C48 H52 N28 O28 -","4","1","","Christer B. Aakeröy; Deirdre P. Hughes; Mark Nieuwenhuyzen","The Oxamate Anion: A Flexible Building Block of Hydrogen-Bonded Architectures for Crystal Engineering","Journal of the American Chemical Society","1996","118","","10134","10140","10.1021/ja953296v","","","0.71073","MoKα","","0.0646","0.042","","0.1117","0.0994","","","","1.057","1.101","1.101","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117189","6.162","0.003","12.801","0.002","8.777","0.001","90","","96.61","","90","","687.7","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 N3 O3 -","- C5 H7 N3 O3 -","- C20 H28 N12 O12 -","4","1","","Christer B. Aakeröy; Deirdre P. Hughes; Mark Nieuwenhuyzen","The Oxamate Anion: A Flexible Building Block of Hydrogen-Bonded Architectures for Crystal Engineering","Journal of the American Chemical Society","1996","118","","10134","10140","10.1021/ja953296v","","","0.71073","MoKα","","0.1483","0.077","","0.2162","0.1717","","","","1.035","1.109","1.109","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117190","15.674","0.001","12.129","0.001","11.429","0.002","90","","92.82","0.01","90","","2170.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 Cl N2 O3 -","- C9 H11 Cl N2 O3 -","- C72 H88 Cl8 N16 O24 -","8","2","","Christer B. Aakeröy; Deirdre P. Hughes; Mark Nieuwenhuyzen","The Oxamate Anion: A Flexible Building Block of Hydrogen-Bonded Architectures for Crystal Engineering","Journal of the American Chemical Society","1996","118","","10134","10140","10.1021/ja953296v","","","0.71073","MoKα","","0.0903","0.0471","","0.1171","0.0972","","","","1.054","1.119","1.119","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117191","7.0764","0.0011","8.0669","0.0013","24.681","0.004","90","","90","","90","","1408.9","0.4","198","2","198","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-deoxy-7-hydroxymethyl-7-deazaadenosine","","","- C12 H20 N4 O6 -","- C12 H20 N4 O6 -","- C48 H80 N16 O24 -","4","1","","Jason K. Rockhill; Scott R. Wilson; Richard I. Gumport","2'-Deoxy-7-(hydroxymethyl)-7-deazaadenosine: A New Analogue to Model Structural Water in the Major Groove of DNA","Journal of the American Chemical Society","1996","118","","10065","10068","10.1021/ja961540s","","","0.71073","MoKα","","0.104","0.0739","","0.2016","0.175","","","","1.168","1.18","1.18","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117192","10.607","0.002","8.143","0.004","38.89","0.006","90","","96.14","0.01","90","","3339.8","1.8","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 Au2 O4 P2 -","- C34 H38 Au2 O4 P2 -","- C136 H152 Au8 O16 P8 -","4","1","","Martin A. Bennett; Suresh K. Bhargava; David C. R. Hockless; Lee L. Welling; Anthony C. Willis","Dinuclear Cycloaurated Complexes Containing Bridging (2-Diphenylphosphino)phenylphosphine and (2-Diethylphosphino)phenylphosphine, C6H4PR2 (R = Ph, Et). Carbon-Carbon Bond Formation by Reductive Elimination at a Gold(II)-Gold(II) Center","Journal of the American Chemical Society","1996","118","","10469","10478","10.1021/ja961511h","","","1.5418","CopperKα","","0.072","0.043","","0.068","0.059","","","","1.256","1.343","1.343","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117193","15.984","0.003","9.064","0.004","18.047","0.003","90","","90","","90","","2614.6","1.3","296.2","","296.2","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H28 Au2 I2 P2 -","- C20 H28 Au2 I2 P2 -","- C80 H112 Au8 I8 P8 -","4","1","","Martin A. Bennett; Suresh K. Bhargava; David C. R. Hockless; Lee L. Welling; Anthony C. Willis","Dinuclear Cycloaurated Complexes Containing Bridging (2-Diphenylphosphino)phenylphosphine and (2-Diethylphosphino)phenylphosphine, C6H4PR2 (R = Ph, Et). Carbon-Carbon Bond Formation by Reductive Elimination at a Gold(II)-Gold(II) Center","Journal of the American Chemical Society","1996","118","","10469","10478","10.1021/ja961511h","","","0.7107","MoKalpha","","","0.0337","","","0.0207","","","","","1.749","1.749","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117194","15.131","0.003","16.406","0.003","15.683","0.004","90","","90","","90","","3893.1","1.4","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H14 Au I2 P -","- C18 H14 Au I2 P -","- C144 H112 Au8 I16 P8 -","8","1","","Martin A. Bennett; Suresh K. Bhargava; David C. R. Hockless; Lee L. Welling; Anthony C. Willis","Dinuclear Cycloaurated Complexes Containing Bridging (2-Diphenylphosphino)phenylphosphine and (2-Diethylphosphino)phenylphosphine, C6H4PR2 (R = Ph, Et). Carbon-Carbon Bond Formation by Reductive Elimination at a Gold(II)-Gold(II) Center","Journal of the American Chemical Society","1996","118","","10469","10478","10.1021/ja961511h","","","0.71069","MolybdenumKα","","0.111","0.034","","0.052","0.046","","","","1.168","1.438","1.438","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117195","18.984","0.003","18.984","","36.256","0.005","90","","90","","120","","11316","2","294.2","","294.2","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C60 H96 In N11 O24 P6 -","- C60 H90 In0.167 N9.666 O24 P6 -","- C360 H540 In1.002 N57.996 O144 P36 -","6","0.166667","","Lowe, Mark P.; Rettig, Steven J.; Orvig, Chris","Highly Symmetric Group 13 Metal-Phosphinato Complexes: Multinuclear NMR (27Al,31P,71Ga) Determination of Stability Constants at Low pH","Journal of the American Chemical Society","1996","118","43","10446","10456","10.1021/ja961633+","","","1.5418","CuKα","","","0.0404","","","0.0386","","","","","1.69","1.69","","","","","has coordinates","270163","2021-10-29","12:05:45",""
"4117196","8.76","0.002","10.262","0.003","10.238","0.003","90","","100.15","0.02","90","","905.9","0.4","296.2","","296.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N S -","- C21 H23 N S -","- C42 H46 N2 S2 -","2","1","","Masami Sakamoto; Masaki Takahashi; Kenji Kamiya; Kentaro Yamaguchi; Tsutomu Fujita; Shoji Watanabe","Crystal-to-Crystal Solid-State Photochemistry: Absolute Asymmetric β-Thiolactam Synthesis from an Achiral α,β-Unsaturated Thioamide","Journal of the American Chemical Society","1996","118","","10664","10665","10.1021/ja961878m","","","1.5418","CuKα","","","0.0627","","","0.0571","","","","","4.123","4.123","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117197","10.366","0.001","10.3659","","17.133","0.003","90","","90","","90","","1841","0.4","296.2","","296.2","","","","","","","","","4","P 43","P 4cw","78","","","","- C21 H23 N S -","- C21 H23 N S -","- C84 H92 N4 S4 -","4","1","","Masami Sakamoto; Masaki Takahashi; Kenji Kamiya; Kentaro Yamaguchi; Tsutomu Fujita; Shoji Watanabe","Crystal-to-Crystal Solid-State Photochemistry: Absolute Asymmetric β-Thiolactam Synthesis from an Achiral α,β-Unsaturated Thioamide","Journal of the American Chemical Society","1996","118","","10664","10665","10.1021/ja961878m","","","1.5418","CuKα","","","0.0516","","","0.0706","","","","","2.754","2.754","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117198","9.188","0.001","12.244","0.004","12.707","0.002","63.23","0.02","72.61","0.01","69.03","0.02","1175.4","0.5","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 O6 W -","- C27 H21 O6 W -","- C54 H42 O12 W2 -","2","1","","Rudolf Aumann; Adam G. Meyer; Roland Fröhlich","Steroid-Like Ring Skeletons by Cyclohexadiene Annulation to Enamines with Alkynylcarbene Complexes of Chromium and Tungsten via Pyran-2-ylidene Complexes","Journal of the American Chemical Society","1996","118","","10853","10861","10.1021/ja961020x","","","0.71073","MoKα","","0.0783","0.0553","","0.1472","0.1394","","","","1.027","1.085","1.085","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117199","8.987","0.001","9.876","0.001","13.434","0.001","81.39","0.01","75.84","0.01","71.32","0.01","1091.9","0.2","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H31 N O -","- C28 H31 N O -","- C56 H62 N2 O2 -","2","1","","Rudolf Aumann; Adam G. Meyer; Roland Fröhlich","Steroid-Like Ring Skeletons by Cyclohexadiene Annulation to Enamines with Alkynylcarbene Complexes of Chromium and Tungsten via Pyran-2-ylidene Complexes","Journal of the American Chemical Society","1996","118","","10853","10861","10.1021/ja961020x","","","1.54178","CuKα","","0.053","0.0462","","0.1354","0.1272","","","","1.028","1.042","1.042","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117200","28.605","0.002","28.605","0.002","9.969","0.001","90","","90","","90","","8157.1","1.1","130","2","130","2","","","","","","","synthetic","5","I 41/a :2","-I 4ad","88","H~2~F~20~DPP","5,10,15,20-tetrakis-(pentafluorophenyl)-2,3,7,8,12,13,17,18-octaphenyl- porphyrin","","- C96 H50 Cl8 F20 N4 -","- C96 H50 Cl8 F20 N4 -","- C384 H200 Cl32 F80 N16 -","4","0.25","","Daniel J. Nurco; Craig J. Medforth; Timothy P. Forsyth; Marilyn M. Olmstead; Kevin M. Smith","Conformational Flexibility in Dodecasubstituted Porphyrins","Journal of the American Chemical Society","1996","118","","10918","10919","10.1021/ja962164e","","","1.54178","CuKα","","0.0461","0.0396","","0.1169","0.1088","","","","0.727","0.741","0.741","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117201","16.629","0.001","8.721","0.001","25.7","0.003","90","","105.59","0.01","90","","3589.9","0.6","130","2","130","2","","","","","","","synthetic","4","P 1 21/c 1","-P 2ybc","14","H~2~F~28~DPP","5,10,15,20-tetrakis-(pentafluorophenyl)-2,3,7,8,12,13,17,18-octakis-(4- fluorophenyl)-porphyrin","","- C92 H34 F28 N4 -","- C92 H34 F28 N4 -","- C184 H68 F56 N8 -","2","0.5","","Daniel J. Nurco; Craig J. Medforth; Timothy P. Forsyth; Marilyn M. Olmstead; Kevin M. Smith","Conformational Flexibility in Dodecasubstituted Porphyrins","Journal of the American Chemical Society","1996","118","","10918","10919","10.1021/ja962164e","","","1.54178","CuKα","","0.0985","0.0554","","0.1087","0.0925","","","","1.063","1.145","1.145","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117202","24.394","0.002","24.394","0.002","8.659","0.0011","90","","90","","90","","5152.7","0.9","130","2","130","2","","","","","","","synthetic","5","P 42/n m c :2","-P 4ac 2a","137","Ni(II)F~28~DPP","5,10,15,20-tetrakis-(pentafluorophenyl)-2,3,7,8,12,13,17,18-octakis-(4- fluorophenyl)-porphinato nickel(II)","","- C122 H102 F28 N4 Ni -","- C127.28 H32 F28 N4 Ni -","- C254.56 H64 F56 N8 Ni2 -","2","0.125","","Daniel J. Nurco; Craig J. Medforth; Timothy P. Forsyth; Marilyn M. Olmstead; Kevin M. Smith","Conformational Flexibility in Dodecasubstituted Porphyrins","Journal of the American Chemical Society","1996","118","","10918","10919","10.1021/ja962164e","","","1.54178","CuKα","","0.0688","0.0538","","0.1562","0.1435","","","","0.914","0.95","0.95","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117203","40.95","0.005","40.95","0.005","40.95","0.005","90","","90","","90","","68669","15","130","2","130","2","","","","","","","synthetic","5","F -4 3 c","F -4a 2 3","219","Ni(II) DPP","Ni(II) 2,3,5,7,8,10,12,13,15,17,18,20-dodecaphenylporphyrin","","- C127.9 H130.9 Cl2.6 N4 Ni -","- C129.813 H60 Cl2.52 N4 Ni -","- C3115.52 H1440 Cl60.48 N96 Ni24 -","24","0.25","","Daniel J. Nurco; Craig J. Medforth; Timothy P. Forsyth; Marilyn M. Olmstead; Kevin M. Smith","Conformational Flexibility in Dodecasubstituted Porphyrins","Journal of the American Chemical Society","1996","118","","10918","10919","10.1021/ja962164e","","","1.54178","CuKα","","0.1102","0.0891","","0.2883","0.225","","","","1.026","1.041","1.041","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117204","19.369","0.007","13.645","0.005","18.056","0.003","90","","98.83","0.02","90","","4715","3","137.2","","137.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H60 P2 Pt Sn2 -","- C48 H60 P2 Pt0.5 Sn2 -","- C192 H240 P8 Pt2 Sn8 -","4","0.5","","Yasushi Obora; Yasushi Tsuji; Kayo Nishiyama; Masahiro Ebihara; Takashi Kawamura","Structure and Fluxional Behavior of cis-Bis(stannyl)bis(phosphine)platinum: Oxidative Addition of Organodistannane to Platinum(0) Complex","Journal of the American Chemical Society","1996","118","","10922","10923","10.1021/ja9626392","","","0.7107","MoKα","","","0.029","","","0.027","","","","","1.73","1.73","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117205","5.388","0.001","16.063","0.003","47.049","0.009","90","","90.01","0.03","90","","4072","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","1-9-(10-Bromoanthracenyl)-ethanediol","","","- C16 H13 Br O2 -","- C16 H13 Br O2 -","- C192 H156 Br12 O24 -","12","6","","E. J. Corey; Mark C. Noe","A Critical Analysis of the Mechanistic Basis of Enantioselectivity in the Bis-Cinchona Alkaloid Catalyzed Dihydroxylation of Olefins","Journal of the American Chemical Society","1996","118","","11038","11053","10.1021/ja961233m","","","0.71073","MoKα","","0.2887","0.1058","","0.3475","0.2131","","","","1.036","1.253","1.253","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117206","14.597","0.002","20.56","0.007","22.004","0.003","90","","90","","90","","6604","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Dihydroxylation product of 14-Bromo 7","","","- C20 H15 Br O2 -","- C20 H15 Br O2 -","- C320 H240 Br16 O32 -","16","4","","E. J. Corey; Mark C. Noe","A Critical Analysis of the Mechanistic Basis of Enantioselectivity in the Bis-Cinchona Alkaloid Catalyzed Dihydroxylation of Olefins","Journal of the American Chemical Society","1996","118","","11038","11053","10.1021/ja961233m","","","0.71073","MoKα","","0.1544","0.0968","","0.2688","0.2248","","","","1.027","1.093","1.093","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117207","8.3839","0.0011","12.1229","0.0014","18.411","0.002","90","","91.233","0.009","90","","1870.8","0.4","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-Bromobenzoate of Asymmetric Dihydroxylation Product from Dihydro-fluroanthene","","","- C23 H17 Br O3 -","- C23 H17 Br O3 -","- C92 H68 Br4 O12 -","4","2","","E. J. Corey; Mark C. Noe","A Critical Analysis of the Mechanistic Basis of Enantioselectivity in the Bis-Cinchona Alkaloid Catalyzed Dihydroxylation of Olefins","Journal of the American Chemical Society","1996","118","","11038","11053","10.1021/ja961233m","","","0.71073","MoKα","","0.1125","0.0555","","0.1319","0.1078","","","","1.007","1.066","1.066","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117208","29.999","0.016","13.163","0.009","30.994","0.025","90","","108.83","0.04","90","","11584","14","150","0.2","150","0.2","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C153.12 H214.32 Cl4 N4 Na6 Ni16 O97.04 -","- C153.12 H212.32 Cl4 N4 Na6 Ni16 O97.6 -","- C306.24 H424.64 Cl8 N8 Na12 Ni32 O195.2 -","2","0.5","","Brechin, Euan K.; Gould, Robert O.; Harris, Steven G.; Parsons, Simon; Winpenny, Richard E. P.","Four Cubes and An Octahedron: A Nickel-Sodium Supracage Assembly","Journal of the American Chemical Society","1996","118","45","11293","11294","10.1021/ja962356+","","","1.54184","CuKα","","0.1617","0.0917","","0.3282","0.2267","","","","1.039","1.093","1.093","","","","","has coordinates,has disorder","270164","2021-10-29","12:11:40",""
"4117209","9.384","0.002","12.768","0.003","28.086","0.005","90","","90","","90","","3365.1","1.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H47 Br O6 -","- C35 H47 Br O6 -","- C140 H188 Br4 O24 -","4","1","","Ruggero Curci; Antonia Detomaso; Maria E. Lattanzio; Gene B. Carpenter","Oxidation of Natural Targets by Dioxiranes. 4.1High Stereo- and Regioselective Conversion of Vitamin D2 to Its (all-R) Tetraepoxide and C-25 Hydroxy Derivative","Journal of the American Chemical Society","1996","118","","11089","11092","10.1021/ja9626300","","","0.71073","MoKa","","0.1727","0.0625","","0.1858","0.1486","","","","0.809","1.149","1.149","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117210","13.69","0.006","13.69","0.006","24.464","0.009","90","","90","","90","","4585","3","296","2","296","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C43 H32 F12 N8 O4 P2 Ru2 -","- C44 H32 F36 N8 O4 P2 Ru2 -","- C176 H128 F144 N32 O16 P8 Ru8 -","4","0.5","","Dorothy H. Gibson; Yan Ding; Bradley A. Sleadd; Jaime O. Franco; John F. Richardson; Mark S. Mashuta","Photoassistance in Reactions of the cis- (Bis(2,2'-bipyridyl))(carbonyl)(formyl)ruthenium(II) Cation with Protic Reagents","Journal of the American Chemical Society","1996","118","","11984","11985","10.1021/ja962168j","","","0.7107","MoKα","","","0.062","","","0.062","","","","","2.7","2.7","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117211","14.908","0.004","25.367","0.006","5.457","0.003","90","","90","","90","","2063.7","1.4","293.2","","293.2","","","","","","","","Synthesis in H. Koshima's laboratory","4","P 21 21 21","P 2ac 2ab","19","Chiral two-molecule crystal of acridine and diphenylacetic acid","","","- C27 H21 N O2 -","- C27 H21 N O2 -","- C108 H84 N4 O8 -","4","1","","Hideko Koshima; Kuiling Ding; Yosuke Chisaka; Teruo Matsuura","Generation of Chirality in a Two-Component Molecular Crystal of Acridine and Diphenylacetic Acid and Its Absolute Asymmetric Photodecarboxylating Condensation","Journal of the American Chemical Society","1996","118","","12059","12065","10.1021/ja961106q","","","1.5418","CuKα","","","0.043","","","0.058","","","","","1.84","1.84","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117212","9.871","0.001","17.6408","0.0009","6.1787","0.0009","90.28","0.007","107.31","0.01","101.002","0.006","1006.1","0.2","293.2","","293.2","","","","","","","","Synthesis in H. Koshima's laboratoru","4","P 1","P 1","1","Photocondensation product of acridine and diphenylacetic acid","","","- C53 H46 N2 O -","- C53 H46 N2 O -","- C53 H46 N2 O -","1","1","","Hideko Koshima; Kuiling Ding; Yosuke Chisaka; Teruo Matsuura","Generation of Chirality in a Two-Component Molecular Crystal of Acridine and Diphenylacetic Acid and Its Absolute Asymmetric Photodecarboxylating Condensation","Journal of the American Chemical Society","1996","118","","12059","12065","10.1021/ja961106q","","","0.7107","MoKα","","","0.033","","","0.05","","","","","1.4","1.4","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117213","13.363","0.005","10.277","0.004","18.792","0.004","90","","107.42","0.02","90","","2462.4","1.5","293.2","","293.2","","","","","","","","Synthesis in H. Koshima's laboratory","6","P 1 21 1","P 2yb","4","Salt of methylated photocondensation product with trifluoromethanesulfonate","","","- C28 H24 F3 N O3 S -","- C28 H24 F3 N O3 S -","- C112 H96 F12 N4 O12 S4 -","4","2","","Hideko Koshima; Kuiling Ding; Yosuke Chisaka; Teruo Matsuura","Generation of Chirality in a Two-Component Molecular Crystal of Acridine and Diphenylacetic Acid and Its Absolute Asymmetric Photodecarboxylating Condensation","Journal of the American Chemical Society","1996","118","","12059","12065","10.1021/ja961106q","","","1.5418","CuKα","","","0.065","","","0.102","","","","","2.67","2.67","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117214","12.717","0.006","13.061","0.009","13.542","0.005","90","0.05","105.57","0.03","89.99","0.05","2167","2","293.2","","293.2","","","","","","","","Synthesis in H. Koshima's laboratory","4","P 1 21/n 1","-P 2yn","14","Two-molecule crystal of acridine and 2,2-diphenylpropionic acid","","","- C28 H23 N O2 -","- C28 H23 N O2 -","- C112 H92 N4 O8 -","4","1","","Hideko Koshima; Kuiling Ding; Yosuke Chisaka; Teruo Matsuura","Generation of Chirality in a Two-Component Molecular Crystal of Acridine and Diphenylacetic Acid and Its Absolute Asymmetric Photodecarboxylating Condensation","Journal of the American Chemical Society","1996","118","","12059","12065","10.1021/ja961106q","","","0.7107","MoKα","","","0.052","","","0.067","","","","","1.46","1.46","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117215","12.215","0.002","12.218","0.003","26.562","0.006","90","","90","","120","","3433.1","1.3","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","Lithium-1,1-bicyclopropylethanolate","","- C8 H13 Li O -","- C8 H13 Li O -","- C144 H234 Li18 O18 -","18","1","","Bernd Goldfuss; Paul von Ragué Schleyer; Frank Hampel","A ""Lithium-Bonded"" Cyclopropyl Edge: The X-ray Crystal Structure of [Li-O-C(Me)-(c-CHCH2CH2)2]6 and Computational Studies","Journal of the American Chemical Society","1996","118","","12183","12189","10.1021/ja9618661","","","0.71073","MoKα","","0.0654","0.0492","","0.1385","0.1234","","","","1.11","1.136","1.136","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117216","11.4251","0.0008","8.0931","0.0008","16.441","0.002","90","","108.424","0.007","90","","1442.3","0.3","25","","25","","","","","","","","","4","P 1 21 1","P 2yb","4","","(4R,6S,6'S)-6,6'-Dimethyl-4,4'-spirobi(siloleno[3,2-b]thiophene)","","- C14 H16 S2 Si -","- C14 H16 S2 Si -","- C56 H64 S8 Si4 -","4","2","","Kohei Tamao; Kazunori Nakamura; Hiroyuki Ishii; Shigehiro Yamaguchi; Motoo Shiro","Axially Chiral Spirosilanes via Catalytic Asymmetric Intramolecular Hydrosilation","Journal of the American Chemical Society","1996","118","","12469","12470","10.1021/ja962754c","","","1.5418","CuKalpha","","","0.033","","","0.046","","","","","1.35","1.35","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117217","42.234","0.005","10.804","0.001","22.765","0.002","90","","94.702","0.008","90","","10352.6","1.8","213","2","213","2","","","","","","","synthesis","5","C 1 2/c 1","-C 2yc","15","Ta2(μ-H)2Cl2(Cy2N)4","","","- C48 H90 Cl2 N4 Ta2 -","- C48 H90 Cl2 N4 Ta2 -","- C384 H720 Cl16 N32 Ta16 -","8","1","","F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Xiaoping Wang","A Wonderful Bond That Wasn't There: Reformulation of a Compound ""Containing a Ta-Ta Bond without Bridging Ligands"" as [(Cy~2~N)~2~ClTa(μ-H)]~2~","Journal of the American Chemical Society","1996","118","","12449","12450","10.1021/ja9629165","","","0.71073","MoKα","","0.0367","0.0324","","0.0861","0.0804","","","","1.09","1.089","1.089","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117218","6.184","0.002","11.471","0.004","14.676","0.005","80.45","0.03","80.54","0.03","80.86","0.03","1003.4","0.6","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","Tris(dimethylamino)phosphane","","- C6 H18 N3 P -","- C6 H18 N3 P -","- C24 H72 N12 P4 -","4","2","","Norbert W. Mitzel; Bruce A. Smart; Karl-Heinz Dreihäupl; David W. H. Rankin; Hubert Schmidbaur","Low Symmetry in P(NR2)3 Skeletons and Related Fragments: An Inherent Phenomenon","Journal of the American Chemical Society","1996","118","","12673","12682","10.1021/ja9621861","","","0.71073","MoKα","","0.0983","0.0631","","0.2266","0.1699","","","","1.016","1.055","1.055","","","","","has coordinates,has Fobs","178943","2020-10-21","18:00:00",""
"4117219","11.593","0.002","12.446","0.003","7.297","0.003","90","","90","","90","","1052.9","0.5","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Tris(dimethylamino)methylene-phosphorane","","- C7 H20 N3 P -","- C7 H20 N3 P -","- C28 H80 N12 P4 -","4","1","","Norbert W. Mitzel; Bruce A. Smart; Karl-Heinz Dreihäupl; David W. H. Rankin; Hubert Schmidbaur","Low Symmetry in P(NR2)3 Skeletons and Related Fragments: An Inherent Phenomenon","Journal of the American Chemical Society","1996","118","","12673","12682","10.1021/ja9621861","","","0.71073","MoKα","","0.0875","0.0479","","0.1112","0.096","","","","1.019","1.076","1.076","","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00",""
"4117220","13.304","0.004","20.151","0.005","9.201","0.002","90.82","0.02","101.77","0.02","100.65","0.02","2369.8","1.1","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C47.5 H53 F3 Fe N5 O S -","- C100 H110 F12 Fe2 N12 O4 S2 -","- C100 H110 F12 Fe2 N12 O4 S2 -","","","","Norikazu Ueyama; Nami Nishikawa; Yusuke Yamada; Taka-aki Okamura; Akira Nakamura","Cytochrome P-450 Model (Porphinato)(thiolato)iron(III) Complexes with Single and Double NH...S Hydrogen Bonds at the Thiolate Site","Journal of the American Chemical Society","1996","118","","12826","12827","10.1021/ja9622970","","","0.7107","MoKalpha","","","0.063","","","0.069","","","","","1.81","1.81","","","","","has coordinates","189883","2020-10-21","18:00:00",""
"4117221","13.467","0.004","14.797","0.006","12.821","0.005","103.88","0.03","107.71","0.03","65.94","0.02","2202.5","1.5","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C47.5 H53 F3 Fe N5 O S -","- C96 H110 F6 Fe2 N10 O2 S2 -","- C96 H110 F6 Fe2 N10 O2 S2 -","","","","Norikazu Ueyama; Nami Nishikawa; Yusuke Yamada; Taka-aki Okamura; Akira Nakamura","Cytochrome P-450 Model (Porphinato)(thiolato)iron(III) Complexes with Single and Double NH...S Hydrogen Bonds at the Thiolate Site","Journal of the American Chemical Society","1996","118","","12826","12827","10.1021/ja9622970","","","0.7107","MoKalpha","","","0.069","","","0.068","","","","","1.83","1.83","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117222","23.777","0.003","12.744","0.005","9.092","0.003","90","","90","","90","","2755","1.5","296.2","","296.2","","","","","","","","Dansylamidoethyl-cyclen Zn","7","P n a 21","P 2c -2n","33","ZnL","","","- C22 H35 Cl N6 O6 S Zn -","- C22 H35 Cl N6 O6 S Zn -","- C88 H140 Cl4 N24 O24 S4 Zn4 -","4","1","","Tohru Koike; Tomohiko Watanabe; Shin Aoki; Eiichi Kimura; Motoo Shiro","A Novel Biomimetic Zinc(II)-Fluorophore, Dansylamidoethyl-Pendant Macrocyclic Tetraamine 1,4,7,10-Tetraazacyclododecane (Cyclen)","Journal of the American Chemical Society","1996","118","","12696","12703","10.1021/ja962527a","","","1.5418","CuKα","","","0.0318","","","0.0474","","","","","1.311","1.311","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117223","17.354","0.005","17.479","0.005","16.664","0.004","89.95","0.02","100.66","0.02","90.02","0.02","4967","2","476.2","","476.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H22 Cu N2 O2 -","- C34 H22 Cu N2 O2 -","- C272 H176 Cu8 N16 O16 -","8","1","","Yadong Wang; T. D. P. Stack","Galactose Oxidase Model Complexes: Catalytic Reactivities","Journal of the American Chemical Society","1996","118","","13097","13098","10.1021/ja9621354","","","0.7109","MoKalpha","","","0.049","","","0.043","","","","","1.71","1.71","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117224","10.4865","0.0009","15.996","0.001","17.986","0.002","69.347","0.001","88.254","0.001","81.377","0.001","2790.4","0.4","273.2","","273.2","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H50 Cu N2 O2 S2 -","- C48 H50 Cu N2 O2 S2 -","- C96 H100 Cu2 N4 O4 S4 -","2","1","","Yadong Wang; T. D. P. Stack","Galactose Oxidase Model Complexes: Catalytic Reactivities","Journal of the American Chemical Society","1996","118","","13097","13098","10.1021/ja9621354","","","0.7107","MoKalpha","","","0.087","","","0.097","","","","","2.73","2.73","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117225","11.976","0.005","14.584","0.004","16.913","0.005","90","","90","","90","","2954","1.7","293","2","293","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 Cr O7 -","- C28 H38 Cr O7 -","- C112 H152 Cr4 O28 -","4","1","","José Barluenga; Andrés A. Trabanco; Josefa Flórez; Santiago García-Granda; Eduardo Martín","Asymmetric Conjugate Nucleophilic Addition of Organolithiums to Chromium (Menthyloxy)(aryl)carbene Complexes","Journal of the American Chemical Society","1996","118","","13099","13100","10.1021/ja962770+","","","0.71073","MoKα","","0.081","0.0352","","0.0845","0.0725","","","","1.05","1.097","1.097","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117226","15.751","0.007","16.645","0.007","18.886","0.009","80.27","0.04","65.06","0.04","83.72","0.04","4421","4","223","","223","","","","","","","","","8","P -1","-P 1","2","","","","- C87.21 Cl3.29 F2.13 N2 O3.13 P4 Re2 S0.71 -","- C89 H83 Cl5 F3 N2 O5 P4 Re2 S -","- C178 H166 Cl10 F6 N4 O10 P8 Re4 S2 -","2","1","","Wengan Wu; Phillip E. Fanwick; Richard A. Walton","The First Example of Isomerization of a Dimetal Complex Involving the Switch of a Metal-Metal Bond Order from 3 to 0. Synthesis and Characterization of the Paramagnetic Mixed-Valence Complex Cation [(XylNC)(OC)Re(μ-Cl)2(μ-dppm)2ReCl(CNXyl)]+1","Journal of the American Chemical Society","1996","118","","13091","13092","10.1021/ja962910f","","","0.71073","Mo-Kα","","0.07","0.052","","0.174","0.158","","","","1.064","1.085","1.085","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117227","21.474","0.003","14.163","0.002","17.112","0.002","90","","98.32","0.01","90","","5149.6","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C88 H80 Au4 F12 N4 O10 P4 -","- C88 H72 Au4 F12 N4 O10 P4 -","- C176 H144 Au8 F24 N8 O20 P8 -","2","0.5","","Michael J. Irwin; Jagadese J. Vittal; Glenn P. A. Yap; Richard J. Puddephatt","Linear Gold(I) Coordination Polymers: A Polymer with a Unique Sine Wave Conformation","Journal of the American Chemical Society","1996","118","","13101","13102","10.1021/ja963441k","","","0.71073","MoKα","","0.1652","0.0814","","0.2507","0.1939","","","","1.028","1.113","1.113","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117228","8.8985","0.0009","9.59","0.001","13.771","0.001","104.474","0.001","106.781","0.002","100.067","0.002","1050.05","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H38 Au2 F6 N2 O4 P2 -","- C44 H38 Au2 F6 N2 O4 P2 -","- C44 H38 Au2 F6 N2 O4 P2 -","1","0.5","","Michael J. Irwin; Jagadese J. Vittal; Glenn P. A. Yap; Richard J. Puddephatt","Linear Gold(I) Coordination Polymers: A Polymer with a Unique Sine Wave Conformation","Journal of the American Chemical Society","1996","118","","13101","13102","10.1021/ja963441k","","","0.71073","MoKα","","0.0283","0.0262","","0.082","0.0633","","","","1.064","1.063","1.063","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4123934","9.957","","9.957","","54.55","","90","","90","","120","","4683.63","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Cs5 ((Re Br)6 S8) Br","","- Br7 Cs5 Re6 S8 -","- Br7 Cs5 Re6 S8 -","- Br42 Cs30 Re36 S48 -","6","0.166667","","Long, J.R.; McCarty, L.S.; Holm, R.H.","A solid-state route to molecular clusters: access to the solution chemistry of (Re6 Q8)(2+) (Q = S, Se) core-containing clusters via dimensional reduction","Journal of the American Chemical Society","1996","118","","4603","4616","","","","","","","","","","","","","","","","","","","","","","has coordinates","141214","2020-10-21","18:00:00",""
"4123935","15.842","","15.842","","15.842","","90","","90","","90","","3975.85","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Cs6 ((Re I)6 S8) I2","","- Cs6 I8 Re6 S8 -","- Cs6 I8 Re6 S8 -","- Cs24 I32 Re24 S32 -","4","0.0208333","","Long, J.R.; McCarty, L.S.; Holm, R.H.","A solid-state route to molecular clusters: access to the solution chemistry of (Re6 Q8)(2+) (Q = S, Se) core-containing clusters via dimensional reduction","Journal of the American Chemical Society","1996","118","","4603","4616","","","","","","","","","","","","","","","","","","","","","","has coordinates","141215","2020-10-21","18:00:00",""
"4123936","6.544","","18.687","","9.263","","90","","104.26","","90","","1097.85","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cs2 ((Re Br)4 Re2 Se8)","","- Br4 Cs2 Re6 Se8 -","- Br4 Cs2 Re6 Se8 -","- Br8 Cs4 Re12 Se16 -","2","0.5","","Long, J.R.; Holm, R.H.; McCarty, L.S.","A solid-state route to molecular clusters: access to the solution chemistry of (Re6 Q8)(2+) (Q = S, Se) core-containing clusters via dimensional reduction","Journal of the American Chemical Society","1996","118","","4603","4616","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123937","6.565","","19.678","","15.793","","90","","96.77","","90","","2026.01","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cs ((Re I)3 Re3 Se8)","","- Cs I3 Re6 Se8 -","- Cs I3 Re6 Se8 -","- Cs4 I12 Re24 Se32 -","4","1","","Long, J.R.; McCarty, L.S.; Holm, R.H.","A solid-state route to molecular clusters: access to the solution chemistry of (Re6 Q8)(2+) (Q = S, Se) core-containing clusters via dimensional reduction","Journal of the American Chemical Society","1996","118","","4603","4616","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123938","10.099","","28.922","","11.667","","90","","106.27","","90","","3271.26","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cs4 ((Re I)6 Se8)","","- Cs4 I6 Re6 Se8 -","- Cs4 I6 Re6 Se8 -","- Cs16 I24 Re24 Se32 -","4","1","","Long, J.R.; McCarty, L.S.; Holm, R.H.","A solid-state route to molecular clusters: access to the solution chemistry of (Re6 Q8)(2+) (Q = S, Se) core-containing clusters via dimensional reduction","Journal of the American Chemical Society","1996","118","","4603","4616","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4323771","13.989","0.002","18.304","0.001","6.682","0.003","90","","90","","90","","1711","0.8","20","","20","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C20 H13 N4 O0.5 Pt -","- C96 H60 N16 O4 Pt4 -","- C96 H60 N16 O4 Pt4 -","","","","Masako Kato; Kumiko Sasano; Chizuko Kosuge; Mikio Yamazaki; Shigenobu Yano; Masaru Kimura","Crystal Structures and Luminescence Properties of Platinum(II) Complexes Containing 3,3'-Biisoquinoline","Inorganic Chemistry","1996","35","","116","123","10.1021/ic9507124","","","0.7107","MoKalpha","","","0.039","","","0.034","","","","","2.4","2.4","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323772","11.047","0.001","12.397","0.002","8","0.002","106.56","0.01","100.15","0.01","76.146","0.01","1012.7","0.3","20","","20","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Cl2 N3 O2 Pt -","- C44 H24 Cl4 N6 O2 Pt2 -","- C44 H24 Cl4 N6 O2 Pt2 -","","","","Masako Kato; Kumiko Sasano; Chizuko Kosuge; Mikio Yamazaki; Shigenobu Yano; Masaru Kimura","Crystal Structures and Luminescence Properties of Platinum(II) Complexes Containing 3,3'-Biisoquinoline","Inorganic Chemistry","1996","35","","116","123","10.1021/ic9507124","","","0.7107","MoKalpha","","","0.052","","","0.062","","","","","6.5","6.5","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323773","10.795","0.002","13.511","0.002","8.281","0.001","105.22","0.01","112.17","0.01","85.02","0.01","1079.2","0.3","26","","26","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H38 F12 N6 O2 P2 Pt -","- C48 H24 F12 N6 O2 P2 Pt -","- C48 H24 F12 N6 O2 P2 Pt -","","","","Masako Kato; Kumiko Sasano; Chizuko Kosuge; Mikio Yamazaki; Shigenobu Yano; Masaru Kimura","Crystal Structures and Luminescence Properties of Platinum(II) Complexes Containing 3,3'-Biisoquinoline","Inorganic Chemistry","1996","35","","116","123","10.1021/ic9507124","","","0.7107","MoKalpha","","","0.038","","","0.042","","","","","1.12","1.12","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323774","23.427","0.007","16.677","0.006","12.98","0.004","90","","96.1","0.02","90","","5042","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-dichloro-bis-diphenylformamidine-platinate(II)","","- C26 H24 Cl2 N4 Pt -","- C26 H22 Cl2 N4 Pt -","- C208 H176 Cl16 N32 Pt8 -","8","2","","F. Albert Cotton; John H. Matonic; Carlos A. Murillo","Synthesis and Structural Studies of Platinum Complexes Containing Monodentate, Bridging, and Chelating Formamidine Ligands","Inorganic Chemistry","1996","35","","498","503","10.1021/ic950741e","","","0.71073","MoKα","","0.0344","0.0327","","0.0773","0.0737","","","","1.059","1.044","1.044","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323775","12.296","0.003","12.31","0.004","15.374","0.004","90.75","0.02","91.02","0.02","110.2","0.02","2183.1","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","tetrakis-(diphenylformamidinate)-diplatinate(II)","","- C52 H44 N8 Pt2 -","- C52 H44 N8 Pt2 -","- C104 H88 N16 Pt4 -","2","1","","F. Albert Cotton; John H. Matonic; Carlos A. Murillo","Synthesis and Structural Studies of Platinum Complexes Containing Monodentate, Bridging, and Chelating Formamidine Ligands","Inorganic Chemistry","1996","35","","498","503","10.1021/ic950741e","","","0.71073","MoKα","","0.0287","0.0214","","0.0537","0.0527","","","","1.061","1.083","1.083","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323776","17.883","0.003","14.517","0.003","22.581","0.003","90","","98.17","0.01","90","","5802.7","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetrakis-(diphenylformamidinate)diplatinate(II)","","- C64 H60 N8 O Pt2 -","- C64 H60 N8 O Pt2 -","- C256 H240 N32 O4 Pt8 -","4","1","","F. Albert Cotton; John H. Matonic; Carlos A. Murillo","Synthesis and Structural Studies of Platinum Complexes Containing Monodentate, Bridging, and Chelating Formamidine Ligands","Inorganic Chemistry","1996","35","","498","503","10.1021/ic950741e","","","0.7093","Mo","","0.0707","0.0304","","0.0867","0.0646","","","","1.101","1.016","1.016","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323777","19.671","0.001","19.671","0.001","19.671","0.001","90","","90","","90","","7611.7","0.7","293","2","293","2","","","","","","","","4","I 4 3 2","I 4 2 3","211","","tetrakis-(diphenylformamidinate)diplatinate(II)","","- C52 H44 N8 Pt2 -","- C56 N4 Pt2 -","- C336 N24 Pt12 -","6","0.125","","F. Albert Cotton; John H. Matonic; Carlos A. Murillo","Synthesis and Structural Studies of Platinum Complexes Containing Monodentate, Bridging, and Chelating Formamidine Ligands","Inorganic Chemistry","1996","35","","498","503","10.1021/ic950741e","","","1.54184","CuKα","","0.0695","0.05","","0.194","0.1375","","","","1.155","1.203","1.203","","","","","has coordinates,has disorder","179340","2020-10-21","18:00:00",""
"4323778","14.392","0.001","14.392","0.001","14.436","0.001","90","","90","","90","","2990.1","0.4","293","2","293","2","","","","","","","","6","P 4/n n c :2","-P 4a 2bc","126","","tetrakis-(di-(tolyl)-formaminidinatodiplatinate(II-III) hexafluorophosphate","","- C60 H60 F6 N8 P Pt2 -","- C60 H60 F6 N8 P Pt2 -","- C120 H120 F12 N16 P2 Pt4 -","2","0.125","","F. Albert Cotton; John H. Matonic; Carlos A. Murillo","Synthesis and Structural Studies of Platinum Complexes Containing Monodentate, Bridging, and Chelating Formamidine Ligands","Inorganic Chemistry","1996","35","","498","503","10.1021/ic950741e","","","0.7093","Mo","","0.023","0.0191","","0.0519","0.0491","","","","1.135","1.137","1.137","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323779","16.571","0.004","26.03","0.006","27.447","0.006","90","","95.803","0.015","90","","11778","5","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C112 H100 B Cl2 O6 P6 Pt6 Tl -","- C112 H100 B Cl2 O6 P6 Pt6 Tl -","- C448 H400 B4 Cl8 O24 P24 Pt24 Tl4 -","4","1","","Leijun Hao; Jagadese J. Vittal; Richard J. Puddephatt","Platinum Cluster Cryptates: Trapping of Mercury(0) and Thallium(I)","Inorganic Chemistry","1996","35","","269","270","10.1021/ic9509903","","","0.71073","MoKa","","0.2652","0.0999","","0.3336","0.2312","","","","1","1.107","1.107","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323780","10.931","0.0013","19.383","0.003","8.6976","0.0014","90","","108.898","0.011","90","","1743.5","0.5","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N2 O4 S2 -","- C14 H20 N2 O4 S2 -","- C56 H80 N8 O16 S8 -","4","1","","Cornelus F. van Nostrum; Franciscus B. G. Benneker; Hugo Brussaard; Huub Kooijman; Nora Veldman; Anthony L. Spek; Joop Schoonman; Martinus C. Feiters; Roeland J. M. Nolte","Dithiacrown Ether Substituted Porphyrazines: Synthesis, Single-Crystal Structure, and Control of Aggregation in Solution by Complexation of Transition-Metal Ions","Inorganic Chemistry","1996","35","","959","969","10.1021/ic950704n","","","0.71073","MoKα","","","0","","0","","","","","0","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4323781","9.584","0.003","17.672","0.002","19.62","0.004","84.904","0.014","85.21","0.02","89.29","0.02","3298.3","1.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H82 Mg N8 O17 S8 -","- C56 H82 Mg N8 O17 S8 -","- C112 H164 Mg2 N16 O34 S16 -","2","1","","Cornelus F. van Nostrum; Franciscus B. G. Benneker; Hugo Brussaard; Huub Kooijman; Nora Veldman; Anthony L. Spek; Joop Schoonman; Martinus C. Feiters; Roeland J. M. Nolte","Dithiacrown Ether Substituted Porphyrazines: Synthesis, Single-Crystal Structure, and Control of Aggregation in Solution by Complexation of Transition-Metal Ions","Inorganic Chemistry","1996","35","","959","969","10.1021/ic950704n","","","0.71073","MoKa","","0.1771","0.0839","","0.2228","0.1704","","","","1.034","1.161","1.161","","","","","has coordinates,has disorder","179340","2020-10-21","18:00:00",""
"4323782","8.476","0.001","12.868","0.002","12.588","0.001","90","","108.24","0.01","90","","1304","0.3","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","mer-Tris(carbonyl)iridium(III)fluorosulfate","","- C3 F3 Ir O12 S3 -","- C3 F3 Ir O12 S3 -","- C12 F12 Ir4 O48 S12 -","4","1","","Changqing Wang; Andrew R. Lewis; Raymond J. Batchelor; Frederick W. B. Einstein; Helge Willner; Friedhelm Aubke","Synthesis, Molecular Structure, and Vibrational Spectra of mer-Tris(carbonyl)iridium(III) Fluorosulfate, mer-Ir(CO)~3(SO~3F)~3","Inorganic Chemistry","1996","35","","1279","1285","10.1021/ic9506769","","","0.7093","MolybdenumKα","","","0.022","","","0.024","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323783","9.967","0.002","10.998","0.004","21.324","0.003","90","","90","","90","","2337.5","1","298.2","","298.2","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 Cl F N P Pd -","- C23 H28 Cl F N P Pd -","- C92 H112 Cl4 F4 N4 P4 Pd4 -","4","1","","Michael Pabel; Anthony C. Willis; S. Bruce Wild","First Resolution of a Free Fluorophosphine Chiral at Phosphorus. Resolution and Reactions of Free and Coordinated (\±)-Fluorophenylisopropylphosphine","Inorganic Chemistry","1996","35","","1244","1249","10.1021/ic950897e","","","0.7107","MoKalpha","","","0.031","","","0.02","","","","","2.09","2.09","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4323784","10.444","0.003","12.146","0.003","19.047","0.004","90","","90","","90","","2416.2","1","296.2","","296.2","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 Cl N O P Pd -","- C24 H31 Cl N O P Pd -","- C96 H124 Cl4 N4 O4 P4 Pd4 -","4","1","","Michael Pabel; Anthony C. Willis; S. Bruce Wild","First Resolution of a Free Fluorophosphine Chiral at Phosphorus. Resolution and Reactions of Free and Coordinated (\±)-Fluorophenylisopropylphosphine","Inorganic Chemistry","1996","35","","1244","1249","10.1021/ic950897e","","","0.7107","MoKalpha","","","0.026","","","0.029","","","","","1.54","1.54","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4323785","10.561","0.003","13.546","0.006","16.103","0.004","90","","97.77","0.02","90","","2282.5","1.3","173.2","","173.2","","","","","","","","hydro(solvato)thermal synthesis","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Cu F5 N4 Nb O -","- C20 H20 Cu F6 N4 Nb O2 -","- C80 H80 Cu4 F24 N16 Nb4 O8 -","4","0.5","","Paramasivan Halasyamani; Michael J. Willis; Charlotte L. Stern; Paul M. Lundquist; George K. Wong; Kenneth R. Poeppelmeier","Composition Space of the (CuO,1/2Nb~2~O~5~)/(HF)~x~.pyridine/H~2~O System. Structure and Synthesis of [pyH^+^]~2-~[CuNb~2~(py)~4~O~2~F~10~]^2+^ and CuNb(py)~4~OF~5~","Inorganic Chemistry","1996","35","","1367","1371","10.1021/ic951189w","","","0.7107","MoKalpha","","","0.0264","","","0.0377","","","","","0.757","0.757","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323786","11.408","0.003","11.408","0.003","30.36","0.01","90","","90","","90","","3951","2","153.2","","153.2","","","","","","","","hydro(solvato)thermal synthesis","7","I 41 2 2","I 4bw 2bw","98","","","","- C30 H32 Cu F10 N6 Nb2 O2 -","- C32 H32 Cu F10 N8 Nb2 O2 -","- C128 H128 Cu4 F40 N32 Nb8 O8 -","4","0.25","","Paramasivan Halasyamani; Michael J. Willis; Charlotte L. Stern; Paul M. Lundquist; George K. Wong; Kenneth R. Poeppelmeier","Composition Space of the (CuO,1/2Nb~2~O~5~)/(HF)~x~.pyridine/H~2~O System. Structure and Synthesis of [pyH^+^]~2-~[CuNb~2~(py)~4~O~2~F~10~]^2+^ and CuNb(py)~4~OF~5~","Inorganic Chemistry","1996","35","","1367","1371","10.1021/ic951189w","","","0.7107","MoKalpha","","","0.043","","","0.044","","","","","2.424","2.424","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323787","17.326","0.003","20.688","0.003","13.442","0.002","90","","104.71","0.012","90","","4660.2","1.3","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H47 Au B9 Cl2 P3 -","- C45 H47 Au B9 Cl2 P3 -","- C180 H188 Au4 B36 Cl8 P12 -","4","1","","Olga Crespo; M. Concepción Gimeno; Peter G. Jones; Antonio Laguna","Gold(I) Complexes with the nido-Diphosphino Ligand [7,8-(Ph2P)2-7,8-C2B9H10]-. Preparation of the First Metallocarborane Complex of this Ligand. Crystal Structures of [Au{(PPh2)2C2B9H10}(PPh3)].CH2Cl2 and [Au2{(PPh2)2C2B9H10}2{(PPh2)2(CH2)3}].3Me2CO","Inorganic Chemistry","1996","35","","1361","1366","10.1021/ic951204x","","","0.71073","MoKα","","0.0564","0.0364","","0.0945","0.0745","","","","1.093","1.08","1.08","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323788","13.432","0.003","18.888","0.003","20.021","0.003","78.56","0.02","72.02","0.02","75.31","0.02","4633.5","1.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H104 Au2 B18 O3 P6 -","- C88 H80 Au2 B18 O3 P6 -","- C176 H160 Au4 B36 O6 P12 -","2","1","","Olga Crespo; M. Concepción Gimeno; Peter G. Jones; Antonio Laguna","Gold(I) Complexes with the nido-Diphosphino Ligand [7,8-(Ph2P)2-7,8-C2B9H10]-. Preparation of the First Metallocarborane Complex of this Ligand. Crystal Structures of [Au{(PPh2)2C2B9H10}(PPh3)].CH2Cl2 and [Au2{(PPh2)2C2B9H10}2{(PPh2)2(CH2)3}].3Me2CO","Inorganic Chemistry","1996","35","","1361","1366","10.1021/ic951204x","","","0.71073","MoKα","","0.0964","0.0533","","0.1124","0.0936","","","","1.081","1.102","1.102","","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4323789","8.9591","0.0005","19.1961","0.0012","21.974","0.0009","90","","105.069","0.004","90","","3649.1","0.3","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 N2 P2 -","- C40 H38 N2 P2 -","- C160 H152 N8 P8 -","4","1","","Mandy W. Avis; Cornelis J. Elsevier; Nora Veldman; Huub Kooijman; Anthony L. Spek","Monodentate σ-N and Bidentate σ-N,σ-N' Coordination of 1,1-Bis((N-p-tolylimino)diphenylphosphoranyl)ethane, CHCH3(PPh2NC6H4-4-CH3)2, to Platinum(II)","Inorganic Chemistry","1996","35","","1518","1528","10.1021/ic950748w","","","1.54184","CuKα","","0","0","","0","0","","","","0","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4323790","12.4021","0.0007","16.9705","0.0011","23.76","0.002","90","","109.544","0.005","90","","4712.6","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H57 Cl2 N2 O P3 Pt -","- C52 H57 Cl2 N2 O P3 Pt -","- C208 H228 Cl8 N8 O4 P12 Pt4 -","4","1","","Mandy W. Avis; Cornelis J. Elsevier; Nora Veldman; Huub Kooijman; Anthony L. Spek","Monodentate σ-N and Bidentate σ-N,σ-N' Coordination of 1,1-Bis((N-p-tolylimino)diphenylphosphoranyl)ethane, CHCH3(PPh2NC6H4-4-CH3)2, to Platinum(II)","Inorganic Chemistry","1996","35","","1518","1528","10.1021/ic950748w","","","0.71073","MoKa","","0.1135","0.0572","","0.1215","0.1088","","","","0.996","1.134","1.134","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323791","12.449","0.007","12.51","0.007","12.926","0.007","77.52","0.04","65.8","0.04","81.87","0.05","1789.6","1.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H37 Cl3 P3 Pt -","- C72 H70 Cl6 P6 Pt2 -","- C72 H70 Cl6 P6 Pt2 -","1","0.5","","Igor V. Kourkine; Michael B. Chapman; David S. Glueck; Klaus Eichele; Roderick E. Wasylishen; Glenn P. A. Yap; Louise M. Liable-Sands; Arnold L. Rheingold","Synthesis and Ligand Substitution Reactions of a Mesitylphosphido-Bridged Platinum(II) Dimer","Inorganic Chemistry","1996","35","","1478","1485","10.1021/ic951020i","","","0.71073","MoKα","","0.0373","0.0284","","0.0631","0.0616","","","","0.92","0.983","0.983","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323792","7.804","0.004","12.724","0.006","18.618","0.015","90","","92.53","0.05","90","","1847","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H54 Cl2 P4 Pt2 -","- C30 H54 Cl2 P4 Pt2 -","- C60 H108 Cl4 P8 Pt4 -","2","0.5","","Igor V. Kourkine; Michael B. Chapman; David S. Glueck; Klaus Eichele; Roderick E. Wasylishen; Glenn P. A. Yap; Louise M. Liable-Sands; Arnold L. Rheingold","Synthesis and Ligand Substitution Reactions of a Mesitylphosphido-Bridged Platinum(II) Dimer","Inorganic Chemistry","1996","35","","1478","1485","10.1021/ic951020i","","","0.71073","MoKα","","0.0424","0.0302","","0.0742","0.0689","","","","1.024","1.052","1.052","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323793","10.21","0.003","16.226","0.008","15.066","0.005","90","","90.21","0.04","90","","2495.9","1.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H52 Cl2 P4 Pt2 -","- C54 H52 Cl2 P4 Pt2 -","- C108 H104 Cl4 P8 Pt4 -","2","0.5","","Igor V. Kourkine; Michael B. Chapman; David S. Glueck; Klaus Eichele; Roderick E. Wasylishen; Glenn P. A. Yap; Louise M. Liable-Sands; Arnold L. Rheingold","Synthesis and Ligand Substitution Reactions of a Mesitylphosphido-Bridged Platinum(II) Dimer","Inorganic Chemistry","1996","35","","1478","1485","10.1021/ic951020i","","","0.71073","MoKα","","0.0625","0.0354","","0.0747","0.0695","","","","0.901","1.016","1.016","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323794","5.1088","0.0007","6.2415","0.0008","8.88","0.001","99.714","0.01","98.31","0.01","108.957","0.01","257.85","0.06","294.2","","294.2","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H16 O4 P2 -","- C6 H16 O4 P2 -","- C6 H16 O4 P2 -","1","0.5","","Gregory F. Nieckarz; T. J. R. Weakley; Warren K. Miller; Brian E. Miller; David K. Lyon; David R. Tyler","Generation of 19-Electron Adducts in Aqueous Solution Using the Water-Soluble (HOCH2)2PCH2CH2P(CH2OH)2 Ligand","Inorganic Chemistry","1996","35","","1721","1724","10.1021/ic951071f","","","0.7107","MoKalpha","","","0.0502","","","0.0633","","","","","3.354","3.354","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323795","9.216","0.003","14.634","0.001","15.87","0.001","90","","90","","90","","2140.3","0.7","294.2","","294.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H32 Cl2 Ni O8 P4 -","- C12 H32 Cl2 Ni O8 P4 -","- C48 H128 Cl8 Ni4 O32 P16 -","4","0.5","","Gregory F. Nieckarz; T. J. R. Weakley; Warren K. Miller; Brian E. Miller; David K. Lyon; David R. Tyler","Generation of 19-Electron Adducts in Aqueous Solution Using the Water-Soluble (HOCH2)2PCH2CH2P(CH2OH)2 Ligand","Inorganic Chemistry","1996","35","","1721","1724","10.1021/ic951071f","","","0.7107","MoKalpha","","","0.0417","","","0.0351","","","","","1.218","1.218","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323796","22.848","0.002","12.5283","0.0015","21.46","0.002","90","","91.412","0.012","90","","6141","1.1","153","2","153","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H76 K2 Mo N6 O16 P7 -","- C42.02 H76.04 K2 Mo N6 O16 P7 -","- C168.08 H304.16 K8 Mo4 N24 O64 P28 -","4","0.5","","Scott Charles; James C. Fettinger; Bryan W. Eichhorn","Synthesis, Structure, and Reactivities of [η2-P7M(CO)4]3-, [η2-HP7M(CO)4]2-, and [η2-RP7M(CO)4]2-Zintl Ion Complexes Where M = Mo, W","Inorganic Chemistry","1996","35","","1540","1548","10.1021/ic9511534","","","0.71073","MoKα","","0.116","0.0681","","0.161","0.1399","","","","1.135","1.228","1.228","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323797","23.067","0.002","12.6931","0.0013","21.433","0.002","90","","90.758","0.007","90","","6274.9","1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H77 K2 N5 O16 P7 W -","- C41.02 H74.04 K2 N5 O16 P7 W -","- C164.08 H296.16 K8 N20 O64 P28 W4 -","4","0.5","","Scott Charles; James C. Fettinger; Bryan W. Eichhorn","Synthesis, Structure, and Reactivities of [η2-P7M(CO)4]3-, [η2-HP7M(CO)4]2-, and [η2-RP7M(CO)4]2-Zintl Ion Complexes Where M = Mo, W","Inorganic Chemistry","1996","35","","1540","1548","10.1021/ic9511534","","","0.71073","MoKα","","0.0927","0.0573","","0.1534","0.1409","","","","1.004","1.13","1.13","","","","","has coordinates,has disorder","179340","2020-10-21","18:00:00",""
"4323798","18.115","0.004","13.191","0.002","19.571","0.003","90","","113.45","0.02","90","","4290.3","1.5","293","","293","2","","","","","","","synthesis","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H60 N2 O8 P2 Pd2 -","- C38 H42 N2 O8 P2 Pd2 -","- C152 H168 N8 O32 P8 Pd8 -","4","1","","Pablo Espinet; Jesús A. Miguel; Santiago García-Granda; Daniel Miguel","Palladium Complexes with the Tridentate Dianionic Ligand Pyridine-2,6-dicarboxylate, dipic. Crystal Structure of [Pd(dipic)(PBu3)]2","Inorganic Chemistry","1996","35","","2287","2291","10.1021/ic951024n","","","0.71073","MoKα","","","0.05","","","0.054","","","","","3.65","3.65","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323799","12.8547","0.0007","21.3398","0.0018","18.2787","0.001","90","","133.623","0.006","90","","3629.7","0.6","","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H44 Cu F3 O3 S Si4 Ti -","- C27 H44 Cu F3 O3 S Si4 Ti -","- C108 H176 Cu4 F12 O12 S4 Si16 Ti4 -","4","1","","Maurits D. Janssen; Mathias Herres; Laszló Zsolnai; Anthony L. Spek; David M. Grove; Heinrich Lang; Gerard van Koten","Monomeric Bis(η2-alkyne)copper(I) and -silver(I) Halides, Pseudohalides, and Arenethiolates","Inorganic Chemistry","1996","35","","2476","2483","10.1021/ic950710j","","","0.71073","MoKα","","0","0","","0","0","","","","0","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323800","13.384","0.003","24.548","0.012","13.506","0.003","90","","119.21","0.02","90","","3873","2","293","2","210","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H47 Ag F3 O3 S Si4 Ti -","- C30 H47 Ag F3 O3 S Si4 Ti -","- C120 H188 Ag4 F12 O12 S4 Si16 Ti4 -","4","1","","Maurits D. Janssen; Mathias Herres; Laszló Zsolnai; Anthony L. Spek; David M. Grove; Heinrich Lang; Gerard van Koten","Monomeric Bis(η2-alkyne)copper(I) and -silver(I) Halides, Pseudohalides, and Arenethiolates","Inorganic Chemistry","1996","35","","2476","2483","10.1021/ic950710j","","","0.71073","MoKα","","0.0565","0.0384","","0.1014","0.0911","","","","1.026","1.05","1.05","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323801","11.277","0.003","12.991","0.006","15.39","0.006","65.17","0.04","78.91","0.03","84.78","0.03","2007.9","1.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H56 Cu N S Si4 Ti -","- C35 H56 Cu N S Si4 Ti -","- C70 H112 Cu2 N2 S2 Si8 Ti2 -","2","1","","Maurits D. Janssen; Mathias Herres; Laszló Zsolnai; Anthony L. Spek; David M. Grove; Heinrich Lang; Gerard van Koten","Monomeric Bis(η2-alkyne)copper(I) and -silver(I) Halides, Pseudohalides, and Arenethiolates","Inorganic Chemistry","1996","35","","2476","2483","10.1021/ic950710j","","","0.71073","MoKa","","0.1342","0.0792","","0.2698","0.2091","","","","1.074","1.015","1.015","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323802","15.798","0.003","15.798","0.003","23.728","0.004","90","","90","","90","","5922","1.9","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C18 H14 N O0.5 Pd S -","- C18 N O Pd S -","- C288 N16 O16 Pd16 S16 -","16","1","","Tatsuya Kawamoto; Isoroku Nagasawa; Hiro Kuma; Yoshihiko Kushi","Pd...H-C Interactions. Preparation and Structure of Orthometalated Tetranuclear Complexes of Palladium(II) and Platinum(II)","Inorganic Chemistry","1996","35","","2427","2432","10.1021/ic950769q","","","0.71073","MoKα","","","0.061","","","0.064","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323803","15.496","0.002","15.496","0.002","24.348","0.003","90","","90","","90","","5846.6","1.3","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C17 H11 N Pt S -","- C17 N Pt S -","- C272 N16 Pt16 S16 -","16","1","","Tatsuya Kawamoto; Isoroku Nagasawa; Hiro Kuma; Yoshihiko Kushi","Pd...H-C Interactions. Preparation and Structure of Orthometalated Tetranuclear Complexes of Palladium(II) and Platinum(II)","Inorganic Chemistry","1996","35","","2427","2432","10.1021/ic950769q","","","1.54184","CuKα","","","0.083","","","0.085","","","","","","","","","","","has coordinates","190532","2020-10-21","18:00:00",""
"4323804","9.433","0.002","12.783","0.003","14.135","0.003","72.45","0.01","78.13","0.01","70.83","0.01","1524.2","0.6","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H48 P2 Si6 -","- C18 H48 P2 Si6 -","- C36 H96 P4 Si12 -","2","1","","M. Westerhausen; M. Hartmann; W. Schwarz","Synthesis of Tris(1,2-dimethoxyethane-O,O')barium Bis(2,2,5,5-tetramethyl-2,5-disilaphospholanide) and the Monomer-Dimer Equilibrium in Toluene Solution","Inorganic Chemistry","1996","35","","2421","2426","10.1021/ic950854y","","","0.71073","MoKα","","0.0623","0.0495","","0.1553","0.1474","","","","1.605","1.67","1.67","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4323805","21.523","0.001","13.815","0.001","14.597","0.001","90","","113.73","","90","","3973.3","0.4","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H62 Ba O6 P2 Si4 -","- C24 H62 Ba O6 P2 Si4 -","- C96 H248 Ba4 O24 P8 Si16 -","4","0.5","","M. Westerhausen; M. Hartmann; W. Schwarz","Synthesis of Tris(1,2-dimethoxyethane-O,O')barium Bis(2,2,5,5-tetramethyl-2,5-disilaphospholanide) and the Monomer-Dimer Equilibrium in Toluene Solution","Inorganic Chemistry","1996","35","","2421","2426","10.1021/ic950854y","","","0.71073","MoKα","","0.0488","0.038","","0.0989","0.093","","","","1.031","1.05","1.05","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323806","12.563","0.002","20","0.003","29.869","0.002","90","","98.929","0.009","90","","7413.9","1.7","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H106 Ba2 O6 P4 Si8 -","- C48 H106 Ba2 O6 P4 Si8 -","- C192 H424 Ba8 O24 P16 Si32 -","4","1","","M. Westerhausen; M. Hartmann; W. Schwarz","Synthesis of Tris(1,2-dimethoxyethane-O,O')barium Bis(2,2,5,5-tetramethyl-2,5-disilaphospholanide) and the Monomer-Dimer Equilibrium in Toluene Solution","Inorganic Chemistry","1996","35","","2421","2426","10.1021/ic950854y","","","0.71069","MoKα","","0.0828","0.0517","","0.1334","0.1195","","","","1.214","1.286","1.286","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323807","16.924","0.002","17.483","0.006","20.572","0.003","90","","90","","90","","6087","2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H60 Al2 B2 Cl4 N12 O2 -","- C62 H62 Al2 B2 Cl4 N12 O2 -","- C248 H248 Al8 B8 Cl16 N48 O8 -","4","1","","Donald J. Darensbourg; Ernest L. Maynard; Matthew W. Holtcamp; Kevin K. Klausmeyer; Joseph H. Reibenspies","Synthesis and X-ray Structure of the Novel Aluminum Complex [{η3-HB(3-Phpz)2(5-Phpz)}2Al][AlCl4]. Catalysis of CO2/Propylene Oxide to Propylene Carbonate by the AlCl4-Anion","Inorganic Chemistry","1996","35","","2682","2684","10.1021/ic951018r","","","0.71073","MoKα","","0.1664","0.084","","0.2585","0.2093","","","","1.042","1.135","1.135","","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4323808","10.827","0.007","21.047","0.009","12.191","0.01","90","","99.56","0.06","90","","2739","3","253.2","","253.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H38 O P4 Rh2 -","- C23 H19 O P4 Rh2 -","- C92 H76 O4 P16 Rh8 -","4","1","","D. Joe Anderson; Kurt W. Kramarz; Richard Eisenberg","Synthesis and Structure of the Diphenyl Binuclear Rhodium A-Frame Complex Rh2(μ-CO)(Ph)2(dmpm)2","Inorganic Chemistry","1996","35","","2688","2691","10.1021/ic951095m","","","0.7107","MoKalpha","","","0.0261","","","0.031","","","","","1.839","1.839","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323809","14.059","0.007","15.058","0.006","16.834","0.009","90","","111.56","0.05","90","","3314","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H26 B Cl2 Cu F4 N8 -","- C37 H26 B Cl2 Cu F4 N8 -","- C148 H104 B4 Cl8 Cu4 F16 N32 -","4","1","","Sonya M. Scott; Keith C. Gordon; Anthony K. Burrell","Spectroelectrochemical Studies of Copper(I) Complexes with Binaphthyridine and Biquinoline Ligands. Crystal Structure Determination of Bis(6,7-dihydrodipyrido[2,3-b:3',2'-j][1,10]phenanthroline)copper(I) Tetrafluoroborate","Inorganic Chemistry","1996","35","","2452","2457","10.1021/ic951217a","","","0.71073","MoKα","","0.0798","0.0497","","0.1697","0.1497","","","","1.052","1.102","1.102","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323810","14.208","0.003","18.227","0.004","14.398","0.008","90","","94.55","0.03","90","","3717","2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 Cl6 N2 Pd S2 -","- C35 Cl7 N2 Pd S2 -","- C140 Cl28 N8 Pd4 S8 -","4","1","","Tatsuya Kawamoto; Isoroku Nagasawa; Hiro Kuma; Yoshihiko Kushi","Pd...H-C Interactions. Preparation and Structure of Orthometalated Tetranuclear Complexes of Palladium(II) and Platinum(II)","Inorganic Chemistry","1996","35","","2427","2432","10.1021/ic950769q","","","0.71073","MoKα","","","0.063","","","0.053","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323811","17.723","0.003","10.408","0.001","26.073","0.004","90","","108.08","0.01","90","","4572","1.2","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H43 B F4 Ir N2 P2 S2 -","- C49 H40 B F4 Ir N2 P2 S2 -","- C196 H160 B4 F16 Ir4 N8 P8 S8 -","4","1","","Sunghan Park; Alan J. Lough; Robert H. Morris","Iridium(III) Complex Containing a Unique Bifurcated Hydrogen Bond Interaction Involving Ir-H...H(N)...F-B atoms. Crystal and Molecular Structure of [IrH(η1-SC5H4NH)(η2-SC5H4N)(PPh3)2](BF4).0.5C6H6","Inorganic Chemistry","1996","35","","3001","3006","10.1021/ic950438d","","","0.71073","MoKa","","0.0901","0.0468","","0.1156","0.1062","","","","0.878","1.043","1.043","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4323812","23.401","0.008","9.122","0.004","17.047","0.006","90","","107.03","0.03","90","","3479","2","293","2","173","2","","","","","","","synthesis","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 F3 O4 P2 Rh S -","- C38 H30 F6 O2 P2 Rh S -","- C152 H120 F24 O8 P8 Rh4 S4 -","4","0.5","","Anna Svetlanova-Larsen; John L. Hubbard","Evaluation of Triflate Displacement by Water in CH2Cl2 Solution: Comparison of trans-[Rh(CO)(PPh3)2(OSO2CF3)] and the Crystalline Salt trans-[Rh(CO)(PPh3)2(OH2)][OTf]","Inorganic Chemistry","1996","35","","3073","3076","10.1021/ic951287h","","","0.71073","MoKα","","0.2126","0.1057","","0.2308","0.174","","","","1.108","1.22","1.22","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323813","7.364","0.001","9.038","0.002","11.408","0.002","78.37","0.03","73.04","0.03","89.24","0.03","710.5","0.3","293","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H32 Cl8 Fe2 N4 O6 -","- C14 H32 Cl8 Fe2 N4 O6 -","- C14 H32 Cl8 Fe2 N4 O6 -","1","0.5","","Michael Feist; Sergei Troyanov; Erhard Kemnitz","A Binuclear Chloroferrate Anion with Octahedral Metal Coordination: Octachloro(μ-oxalato)diferrate(III), [(FeCl4)2(μ-C2O4)]4-","Inorganic Chemistry","1996","35","","3067","3068","10.1021/ic9513043","","","0.71073","MoKα","","0.0331","0.0296","","0.0847","0.0789","","","","1.057","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323814","11.1353","0.0005","12.772","0.0008","13.5235","0.0008","75.103","0.005","81.255","0.004","85.308","0.003","1835.22","0.18","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H38 Cl3 N2 O5 P Pd -","- C36 H36 Cl2.98 N2 O5 P Pd -","- C72 H72 Cl5.96 N4 O10 P2 Pd2 -","2","1","","Larry R. Falvello; Susana Fernández; Rafael Navarro; Esteban P. Urriolabeitia","Synthesis and Characterization of {Pd(dmba)(py)[OC(CH3)C(H)PPh3]}(ClO4).CH2Cl2. Unusual O-Coordination of the (Acetylmethylene)triphenylphosphorane Ligand to a Soft Metal Center","Inorganic Chemistry","1996","35","","3064","3066","10.1021/ic951311r","","","0.71073","MoKα","","0.0437","0.037","","0.0927","0.089","","","","1.068","1.104","1.104","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323815","13.324","0.003","9.143","0.002","16.303","0.003","90","","98.93","0.03","90","","1962","0.7","","","180","3","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Dimesityl-phenyl-borane","Dimesityl-phenyl-borane","","- C24 H27 B -","- C24 H27 B -","- C96 H108 B4 -","4","0.5","","Jan Fiedler; Stanislav Zališ; Axel Klein; Fridmann M. Hornung; Wolfgang Kaim","Electronic Structure of π-Conjugated Redox Systems with Borane/Borataalkene End Groups","Inorganic Chemistry","1996","35","","3039","3043","10.1021/ic951482w","","","0.71073","MoKα","","0.0872","0.0496","","0.1432","0.1318","","","","0.864","1.077","1.077","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323816","13.731","0.005","19.267","0.004","16.652","0.005","90","","104.78","0.03","90","","4260","2","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H44 Mo2 N2 O7 P2 S5 -","- C36 H29 Mo2 N2 O7 P2 S5 -","- C144 H116 Mo8 N8 O28 P8 S20 -","4","1","","Runtong Wang; Mark S. Mashuta; John F. Richardson; Mark E. Noble","Oxidation at a Dimolybdenum(V) Sulfur Bridge. Formation of SO and SO2 Bridges. Facile Extrusion of SO from the SO2 Bridge","Inorganic Chemistry","1996","35","","3022","3030","10.1021/ic951518k","","","0.7109","MoKα","","","0.039","","","0.04","","","","","2.65","2.65","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323817","12.591","0.009","25.34","0.01","14.048","0.003","90","","100.79","0.04","90","","4403","4","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H42 Mo2 N2 O8 P2 S6 -","- C31 Mo2 N2 O8 P2 S6 -","- C124 Mo8 N8 O32 P8 S24 -","4","1","","Runtong Wang; Mark S. Mashuta; John F. Richardson; Mark E. Noble","Oxidation at a Dimolybdenum(V) Sulfur Bridge. Formation of SO and SO2 Bridges. Facile Extrusion of SO from the SO2 Bridge","Inorganic Chemistry","1996","35","","3022","3030","10.1021/ic951518k","","","0.7109","MoKα","","","0.043","","","0.043","","","","","2.28","2.28","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323818","12.535","0.002","25.299","0.009","13.989","0.005","90","","99.99","0.02","90","","4369","2","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H44 Mo2 N2 O7 P2 S6 -","- C31 H44 Mo2 N2 O7 P2 S6 -","- C124 H176 Mo8 N8 O28 P8 S24 -","4","1","","Runtong Wang; Mark S. Mashuta; John F. Richardson; Mark E. Noble","Oxidation at a Dimolybdenum(V) Sulfur Bridge. Formation of SO and SO2 Bridges. Facile Extrusion of SO from the SO2 Bridge","Inorganic Chemistry","1996","35","","3022","3030","10.1021/ic951518k","","","0.7109","MoKα","","","0.037","","","0.037","","","","","1.984","1.984","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323819","13.604","0.005","15.28","0.004","12.502","0.002","93.36","0.02","112","0.02","76.01","0.02","2336.6","1.2","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H48 Mo2 N2 O7 P2 S6 -","- C34 H44 Mo2 N2 O9 P2 S6 -","- C68 H88 Mo4 N4 O18 P4 S12 -","2","1","","Runtong Wang; Mark S. Mashuta; John F. Richardson; Mark E. Noble","Oxidation at a Dimolybdenum(V) Sulfur Bridge. Formation of SO and SO2 Bridges. Facile Extrusion of SO from the SO2 Bridge","Inorganic Chemistry","1996","35","","3022","3030","10.1021/ic951518k","","","0.7109","MoKα","","","0.04","","","0.042","","","","","2.17","2.17","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323820","12.448","0.003","13.2","0.007","17.973","0.004","90","","104.28","0.02","90","","2862","1.8","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","1,4,8,11-tetraazacyclotetradecane-2,2'-bipyridine-ruthenium(II) bis(tetrafluoroborate) monohydrate","","- C20 H34 B2 F8 N6 O Ru -","- C20 H32 B2 F8 N6 O Ru -","- C80 H128 B8 F32 N24 O4 Ru4 -","4","1","","Ken Sakai; Yasutaka Yamada; Taro Tsubomura","Syntheses and Crystal Structures of Ruthenium Complexes of 1,4,8,11-Tetraazacyclotetradecane, Tris(2-aminoethyl)amine (tren), and Bis(2-aminoethyl)(iminomethyl)amine. A Microporous Layered Structure Consisting of {[K(tren)]2[RuCl6]}nn- and {(H5O2)4[RuCl6]}nn+","Inorganic Chemistry","1996","35","","3163","3172","10.1021/ic950688u","","","0.71069","MoKα","","","0.0814","","","0.0707","","","","","4.75","4.75","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323821","13.731","0.002","14.319","0.004","13.949","0.002","90","","90.77","0.01","90","","2742.3","0.9","296","","296","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","tris(2-aminoethyl)amine-trichloro-ruthenium(III) hydrochloric acid 1/2hydrate","","- C6 H20 Cl4 N4 O0.5 Ru -","- C6 H11.5 Cl4 N4 O0.5 Ru -","- C48 H92 Cl32 N32 O4 Ru8 -","8","2","","Ken Sakai; Yasutaka Yamada; Taro Tsubomura","Syntheses and Crystal Structures of Ruthenium Complexes of 1,4,8,11-Tetraazacyclotetradecane, Tris(2-aminoethyl)amine (tren), and Bis(2-aminoethyl)(iminomethyl)amine. A Microporous Layered Structure Consisting of {[K(tren)]2[RuCl6]}nn- and {(H5O2)4[RuCl6]}nn+","Inorganic Chemistry","1996","35","","3163","3172","10.1021/ic950688u","","","0.71069","MoKα","","","0.0417","","","0.0387","","","","","2.07","2.07","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323822","10.254","0.004","10.254","","35.03","0.01","90","","90","","120","","3189.8","1.5","293","","293","","","","","","","","","7","R -3 :H","-R 3","148","","bis(diaquahydrogen) tris(2-aminoethyl)aminepotassium hexachlororuthenium(III)","","- C6 H28 Cl6 K N4 O4 Ru -","- C6 H18 Cl6 K0.333333 N3.33333 O3.33333 Ru0.166667 -","- C36 H108 Cl36 K2 N20 O20 Ru -","6","0.333333","","Ken Sakai; Yasutaka Yamada; Taro Tsubomura","Syntheses and Crystal Structures of Ruthenium Complexes of 1,4,8,11-Tetraazacyclotetradecane, Tris(2-aminoethyl)amine (tren), and Bis(2-aminoethyl)(iminomethyl)amine. A Microporous Layered Structure Consisting of {[K(tren)]2[RuCl6]}nn- and {(H5O2)4[RuCl6]}nn+","Inorganic Chemistry","1996","35","","3163","3172","10.1021/ic950688u","","","0.71069","MoKα","","","0.0504","","","0.0455","","","","","2.54","2.54","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323823","10.336","0.002","14.835","0.002","10.234","0.001","90.28","0.01","90.99","0.01","92.07","0.01","1567.9","0.4","296","","296","","","","","","","","","6","P -1","-P 1","2","","tris(2-aminoethyl)amine-oxalato-chloro-ruthenium(III) hydrochloric acid 3/2hydrate","","- C8 H22 Cl2 N4 O5.5 Ru -","- C8 H19 Cl2 N4 O5.5 Ru -","- C32 H76 Cl8 N16 O22 Ru4 -","4","2","","Ken Sakai; Yasutaka Yamada; Taro Tsubomura","Syntheses and Crystal Structures of Ruthenium Complexes of 1,4,8,11-Tetraazacyclotetradecane, Tris(2-aminoethyl)amine (tren), and Bis(2-aminoethyl)(iminomethyl)amine. A Microporous Layered Structure Consisting of {[K(tren)]2[RuCl6]}nn- and {(H5O2)4[RuCl6]}nn+","Inorganic Chemistry","1996","35","","3163","3172","10.1021/ic950688u","","","0.71069","MoKα","","","0.037","","","0.0313","","","","","2.3","2.3","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323824","10.779","0.002","14.416","0.003","14.19","0.002","90","","93.75","0.02","90","","2200.3","0.7","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(2-aminoethyl)(iminomethyl)amine-2,2'-bipyridine-ruthenium(II) bis(tetrafluoroborate)","","- C16 H24 B2 F8 N6 Ru -","- C16 H24 B2 F8 N6 Ru -","- C64 H96 B8 F32 N24 Ru4 -","4","1","","Ken Sakai; Yasutaka Yamada; Taro Tsubomura","Syntheses and Crystal Structures of Ruthenium Complexes of 1,4,8,11-Tetraazacyclotetradecane, Tris(2-aminoethyl)amine (tren), and Bis(2-aminoethyl)(iminomethyl)amine. A Microporous Layered Structure Consisting of {[K(tren)]2[RuCl6]}nn- and {(H5O2)4[RuCl6]}nn+","Inorganic Chemistry","1996","35","","3163","3172","10.1021/ic950688u","","","0.71069","MoKα","","","0.0642","","","0.0486","","","","","2.26","2.26","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323825","8.957","0.002","28.54","0.006","14.695","0.003","90","","99.4","0.03","90","","3706.1","1.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C38 H54 Cl0 N4 Ta2","","","- C19 H27 N2 Ta -","- C19 H27 N2 Ta -","- C152 H216 N16 Ta8 -","8","2","","Keith G. Parker; Bruce Noll; C. G. Pierpont; M. Rakowski DuBois","Syntheses of Tantalum(V) Complexes Containing Tetramethylpyrrolyl, Pyrrolyl, and Indolyl Ligands","Inorganic Chemistry","1996","35","","3228","3234","10.1021/ic9509544","","","0.71073","MoKα","","0.0834","0.0477","","0.1136","0.0915","","","","0.968","1.044","1.044","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323826","7.702","0.003","10.973","0.006","12.396","0.006","100.59","0.04","99.02","0.04","98.9","0.04","998.7","0.9","150","2","293","2","","","","","","","","6","P -1","-P 1","2","[Cu2bbp2](ClO4)2","","","- C36 H38 Cl2 Cu2 N8 O12 -","- C36 H38 Cl2 Cu2 N8 O12 -","- C36 H38 Cl2 Cu2 N8 O12 -","1","0.5","","Frank Zippel; Friedhelm Ahlers; Rüdiger Werner; Wolfgang Haase; Hans-Friedrich Nolting; Bernt Krebs","Structural and Functional Models for the Dinuclear Copper Active Site in Catechol Oxidases: Syntheses, X-ray Crystal Structures, Magnetic and Spectral Properties, and X-ray Absorption Spectroscopic Studies in Solid State and in Solution","Inorganic Chemistry","1996","35","","3409","3419","10.1021/ic9513604","","","0.71073","MoKα","","0.0452","0.0347","","0.0876","0.0855","","","","1.053","1.155","1.155","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323827","17.478","0.009","18.795","0.008","13.888","0.006","90","","90","","90","","4562","4","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","[Cu2bbpen2](ClO4)2","","","- C41 H50 Cl2 Cu2 N8 O13 -","- C41 H50 Cl2 Cu2 N8 O13 -","- C164 H200 Cl8 Cu8 N32 O52 -","4","0.5","","Frank Zippel; Friedhelm Ahlers; Rüdiger Werner; Wolfgang Haase; Hans-Friedrich Nolting; Bernt Krebs","Structural and Functional Models for the Dinuclear Copper Active Site in Catechol Oxidases: Syntheses, X-ray Crystal Structures, Magnetic and Spectral Properties, and X-ray Absorption Spectroscopic Studies in Solid State and in Solution","Inorganic Chemistry","1996","35","","3409","3419","10.1021/ic9513604","","","0.71073","MoKα","","0.1566","0.0651","","0.1814","0.1472","","","","0.807","1.178","1.178","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323828","8.119","0.001","14.346","0.002","14.66","0.002","102.18","0.01","99.01","0.01","97.3","0.01","1625.7","0.4","296","","296","","","","","","","","","4","P -1","-P 1","2","","[Pb{(CO)9Co3CCOO}2]n","","- C22 Co6 O22 Pb -","- C22 Co6 O22 Pb -","- C44 Co12 O44 Pb2 -","2","1","","Xinjian Lei; Maoyu Shang; Atul Patil; Eduardo E. Wolf; Thomas P. Fehlner","Synthesis and Structure of an Extended Cluster Lead(II) Carboxylate, [Pb{(CO)9Co3(μ3-CCO2)}2]n. Role of Core Metals in Cluster-Derived Hydrogenation Catalysts","Inorganic Chemistry","1996","35","","3217","3222","10.1021/ic951498m","","","0.71073","Mo-Kα","","0","0.02","","","0.032","","","","","1.243","1.243","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323829","11.891","0.001","12.857","0.001","14.187","0.002","90","","90","","90","","2168.9","0.4","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 N O10 Ru3 S -","- C16 H9 N O10 Ru3 S -","- C64 H36 N4 O40 Ru12 S4 -","4","1","","Georg Süss-Fink; Gerd Rheinwald; Helen Stoeckli-Evans; Carsten Bolm; Daniel Kaufmann","[(μ2-H)Ru3(CO)9{μ3-NS(O)MePh}]: An Electron-Deficient Trinuclear Cluster Containing a Chiral Sulfoximido Cap","Inorganic Chemistry","1996","35","","3081","3082","10.1021/ic960006i","","","0.71073","MoKα","","0.061","0.046","","0.0957","0.0873","","","","1.072","1.06","1.06","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323830","8.268","0.004","22.365","0.005","23.325","0.008","90","","93.06","0.01","90","","4307","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30.5 H43 Cl Cu2 I2 N15 P3 -","- C30.5 H42 Cl Cu2 I2 N15 P3 -","- C122 H168 Cl4 Cu8 I8 N60 P12 -","4","1","","Younghun Byun; Dongwon Min; Junghwan Do; Hoseop Yun; Youngkyu Do","Mono- and Dinuclear d10 Metal Complexes of Hexakis(3,5-dimethylpyrazolyl)cyclotriphosphazene. Synthesis, Structures, and Unusual Solution Dynamic Behavior","Inorganic Chemistry","1996","35","","3981","3989","10.1021/ic950907b","","","0.7093","","","0.0583","0.0482","","0.1241","0.1191","","","","1.12","1.169","1.169","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323831","17.021","0.003","12.161","0.002","23.608","0.005","90","","107.72","0.01","90","","4654.8","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H45 Cl4 N16 P3 Zn2 -","- C32 H44 Cl4 N16 P3 Zn2 -","- C128 H176 Cl16 N64 P12 Zn8 -","4","1","","Younghun Byun; Dongwon Min; Junghwan Do; Hoseop Yun; Youngkyu Do","Mono- and Dinuclear d10 Metal Complexes of Hexakis(3,5-dimethylpyrazolyl)cyclotriphosphazene. Synthesis, Structures, and Unusual Solution Dynamic Behavior","Inorganic Chemistry","1996","35","","3981","3989","10.1021/ic950907b","","","0.71073","MoKα","","0.0367","0.0316","","0.0838","0.0815","","","","1.111","1.144","1.144","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323832","18.585","0.005","17.585","0.004","14.404","0.003","90","","102.71","0.02","90","","4592.1","1.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H44 Cd2 Cl6 N15 P3 -","- C31 H44 Cd2 Cl6 N15 P3 -","- C124 H176 Cd8 Cl24 N60 P12 -","4","1","","Younghun Byun; Dongwon Min; Junghwan Do; Hoseop Yun; Youngkyu Do","Mono- and Dinuclear d10 Metal Complexes of Hexakis(3,5-dimethylpyrazolyl)cyclotriphosphazene. Synthesis, Structures, and Unusual Solution Dynamic Behavior","Inorganic Chemistry","1996","35","","3981","3989","10.1021/ic950907b","","","0.71073","MoKa","","0.0421","0.0365","","0.095","0.0886","","","","1.055","1.053","1.053","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323833","11.037","0.003","11.649","0.004","31.431","0.008","90","","90","","90","","4041","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H42 Cl2 Hg N15 P3 -","- C30 Cl2 Hg N15 P3 -","- C120 Cl8 Hg4 N60 P12 -","4","1","","Younghun Byun; Dongwon Min; Junghwan Do; Hoseop Yun; Youngkyu Do","Mono- and Dinuclear d10 Metal Complexes of Hexakis(3,5-dimethylpyrazolyl)cyclotriphosphazene. Synthesis, Structures, and Unusual Solution Dynamic Behavior","Inorganic Chemistry","1996","35","","3981","3989","10.1021/ic950907b","","","0.71073","MoKa","","0.1347","0.1162","","0.3277","0.3093","","","","1.105","1.142","1.142","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323834","22.876","0.005","21.599","0.004","9.117","0.002","90","","93.54","0.02","90","","4496.1","1.6","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 Cl2 Cu I N15 P3 Zn -","- C30 H42 Cl2 Cu I N15 P3 Zn -","- C120 H168 Cl8 Cu4 I4 N60 P12 Zn4 -","4","1","","Younghun Byun; Dongwon Min; Junghwan Do; Hoseop Yun; Youngkyu Do","Mono- and Dinuclear d10 Metal Complexes of Hexakis(3,5-dimethylpyrazolyl)cyclotriphosphazene. Synthesis, Structures, and Unusual Solution Dynamic Behavior","Inorganic Chemistry","1996","35","","3981","3989","10.1021/ic950907b","","","0.71069","MoKa","","0.1033","0.07","","0.2645","0.2006","","","","1.113","0.998","0.998","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323835","13.541","0.003","17.029","0.003","12.896","0.003","101.2","0.02","117","0.01","85.47","0.02","2599","1","23","","23","","","","","","","","","8","P -1","-P 1","2","","","","- C44 H44 Cl2 Mo2 N2 O6 P2 Pt -","- C92 H88 Cl16 Mo4 N4 O12 P4 Pt2 -","- C92 H88 Cl16 Mo4 N4 O12 P4 Pt2 -","","","","Hiroshi Nakano; Akira Nakamura; Kazushi Mashima","Linear Trinuclear Pt...Mo-Mo Complexes [Mo2PtX2(pyphos)2(O2CR)2]2 (X = Cl, Br, I; R = CH3, C(CH3)3; pyphos = 6-(Diphenylphosphino)-2-pyridonate) with an Axial Interaction between the Quadruply Bonded Mo2 Moiety and the Platinum Atom","Inorganic Chemistry","1996","35","","4007","4012","10.1021/ic950988b","","","0.7107","MoKalpha","","","0.05","","","0.064","","","","","3.1","3.1","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323836","12.211","0.002","20.859","0.003","10.478","0.002","98.88","0.01","112.55","0.02","84.56","0.01","2433.4","0.8","23","","23","","","","","","","","","9","P -1","-P 1","2","","","","- C45 H46 Br2 Cl2 Mo2 N2 O6 P2 Pt -","- C90 H92 Br4 Cl4 Mo4 N4 O12 P4 Pt2 -","- C90 H92 Br4 Cl4 Mo4 N4 O12 P4 Pt2 -","","","","Hiroshi Nakano; Akira Nakamura; Kazushi Mashima","Linear Trinuclear Pt...Mo-Mo Complexes [Mo2PtX2(pyphos)2(O2CR)2]2 (X = Cl, Br, I; R = CH3, C(CH3)3; pyphos = 6-(Diphenylphosphino)-2-pyridonate) with an Axial Interaction between the Quadruply Bonded Mo2 Moiety and the Platinum Atom","Inorganic Chemistry","1996","35","","4007","4012","10.1021/ic950988b","","","0.7107","MoKalpha","","","0.042","","","0.049","","","","","1.62","1.62","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323837","13.359","0.004","19.685","0.003","20.392","0.004","90","","107.97","0.02","90","","5101","2","23","","23","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C45 H46 Cl2 I2 Mo2 N2 O6 P2 Pt -","- C180 H184 Cl8 I8 Mo8 N8 O24 P8 Pt4 -","- C180 H184 Cl8 I8 Mo8 N8 O24 P8 Pt4 -","","","","Hiroshi Nakano; Akira Nakamura; Kazushi Mashima","Linear Trinuclear Pt...Mo-Mo Complexes [Mo2PtX2(pyphos)2(O2CR)2]2 (X = Cl, Br, I; R = CH3, C(CH3)3; pyphos = 6-(Diphenylphosphino)-2-pyridonate) with an Axial Interaction between the Quadruply Bonded Mo2 Moiety and the Platinum Atom","Inorganic Chemistry","1996","35","","4007","4012","10.1021/ic950988b","","","0.7107","MoKalpha","","","0.039","","","0.031","","","","","2.07","2.07","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323838","34.733","0.004","17.818","0.01","22.53","0.005","90","","124.444","0.008","90","","11499","7","23","","23","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Br2 Cl8 Mo2 N2 O6 P2 Pt -","- C336 H304 Br16 Cl64 Mo16 N16 O48 P16 Pt8 -","- C336 H304 Br16 Cl64 Mo16 N16 O48 P16 Pt8 -","","","","Hiroshi Nakano; Akira Nakamura; Kazushi Mashima","Linear Trinuclear Pt...Mo-Mo Complexes [Mo2PtX2(pyphos)2(O2CR)2]2 (X = Cl, Br, I; R = CH3, C(CH3)3; pyphos = 6-(Diphenylphosphino)-2-pyridonate) with an Axial Interaction between the Quadruply Bonded Mo2 Moiety and the Platinum Atom","Inorganic Chemistry","1996","35","","4007","4012","10.1021/ic950988b","","","0.7107","MoKalpha","","","0.06","","","0.084","","","","","1.43","1.43","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323839","13.8294","0.0013","13.8294","0.0013","17.429","0.002","90","","90","","120","","2886.8","0.5","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C42 H42 Br2 Cu2 P2 -","- C42 H42 Br2 Cu2 P2 -","- C126 H126 Br6 Cu6 P6 -","3","0.166667","","Pericles D. Akrivos; Petros P. Karagiannidis; Catherine P. Raptopoulou; Aris Terzis; Stefan Stoyanov","Reactions of Copper(I) Halides with Tertiary Phosphines. The Unique Structure of [Cu(tribenzylphosphine)2][CuBr2]","Inorganic Chemistry","1996","35","","4082","4083","10.1021/ic951387n","","","0.7107","MoKα","","0.07","0.0265","","0.1111","0.0657","","","","1.276","1.051","1.051","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323840","8.6691","0.0014","12.443","0.002","14.085","0.002","105.811","0.01","107.533","0.008","92.075","0.01","1382.3","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Bis(pyridine-2-selenolato-N,Se)-dicarbonyliron","","- C12 H8 Fe N2 O2 Se2 -","- C12 H8 Fe N2 O2 Se2 -","- C48 H32 Fe4 N8 O8 Se8 -","4","2","","Carsten O. Kienitz; Carsten Thöne; Peter G. Jones","Coordination Chemistry of 2,2'-Dipyridyl Diselenide: X-ray Crystal Structures of PySeSePy, [Zn(PySeSePddy)Cl~2~], [(PySeSePy):Hg(C~6~F~5~)~2~], [Mo(SePy)~2~(CO)~3~], [W(SePy)~2~(CO)~3~], and [Fe(SePy)~2~(CO)~2~] (PySeSePy = C~5~H~4~NSeSeC~5~H~4~N; SePy = [C~5~H~4~N(2-Se)-N,Se])","Inorganic Chemistry","1996","35","","3990","3997","10.1021/ic951454d","","","0.71073","MoKα","","0.092","0.0535","","0.1451","0.1253","","","","0.962","1.063","1.063","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323841","10.129","0.002","5.7332","0.0012","19.173","0.003","90","","101.493","0.008","90","","1091.1","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-Bispyridyldiselenide","","- C10 H8 N2 Se2 -","- C10 H8 N2 Se2 -","- C40 H32 N8 Se8 -","4","1","","Carsten O. Kienitz; Carsten Thöne; Peter G. Jones","Coordination Chemistry of 2,2'-Dipyridyl Diselenide: X-ray Crystal Structures of PySeSePy, [Zn(PySeSePddy)Cl~2~], [(PySeSePy):Hg(C~6~F~5~)~2~], [Mo(SePy)~2~(CO)~3~], [W(SePy)~2~(CO)~3~], and [Fe(SePy)~2~(CO)~2~] (PySeSePy = C~5~H~4~NSeSeC~5~H~4~N; SePy = [C~5~H~4~N(2-Se)-N,Se])","Inorganic Chemistry","1996","35","","3990","3997","10.1021/ic951454d","","","0.71073","MoKα","","0.0751","0.0446","","0.1191","0.1023","","","","1.055","1.099","1.099","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4323842","7.943","0.001","8.147","0.002","11.999","0.002","93.685","0.01","107.763","0.01","115.44","0.01","650.3","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(2,2'-Bispyridyldiselenide-N,N')bis(chloro)zinc(II)","","- C10 H8 Cl2 N2 Se2 Zn -","- C10 H8 Cl2 N2 Se2 Zn -","- C20 H16 Cl4 N4 Se4 Zn2 -","2","1","","Carsten O. Kienitz; Carsten Thöne; Peter G. Jones","Coordination Chemistry of 2,2'-Dipyridyl Diselenide: X-ray Crystal Structures of PySeSePy, [Zn(PySeSePddy)Cl~2~], [(PySeSePy):Hg(C~6~F~5~)~2~], [Mo(SePy)~2~(CO)~3~], [W(SePy)~2~(CO)~3~], and [Fe(SePy)~2~(CO)~2~] (PySeSePy = C~5~H~4~NSeSeC~5~H~4~N; SePy = [C~5~H~4~N(2-Se)-N,Se])","Inorganic Chemistry","1996","35","","3990","3997","10.1021/ic951454d","","","0.71073","MoKα","","0.055","0.0447","","0.1186","0.1147","","","","0.978","1.06","1.06","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323843","7.3725","0.001","5.9974","0.0014","25.573","0.003","90","","98.037","0.01","90","","1119.6","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,2'-Dipyridyldiselenide:Bis(pentafluorophenyl)mercury(II) 1:1","","- C22 H8 F10 Hg N2 Se2 -","- C22 H8 F10 Hg N2 Se2 -","- C44 H16 F20 Hg2 N4 Se4 -","2","0.5","","Carsten O. Kienitz; Carsten Thöne; Peter G. Jones","Coordination Chemistry of 2,2'-Dipyridyl Diselenide: X-ray Crystal Structures of PySeSePy, [Zn(PySeSePddy)Cl~2~], [(PySeSePy):Hg(C~6~F~5~)~2~], [Mo(SePy)~2~(CO)~3~], [W(SePy)~2~(CO)~3~], and [Fe(SePy)~2~(CO)~2~] (PySeSePy = C~5~H~4~NSeSeC~5~H~4~N; SePy = [C~5~H~4~N(2-Se)-N,Se])","Inorganic Chemistry","1996","35","","3990","3997","10.1021/ic951454d","","","0.71073","MoKα","","0.0393","0.0344","","0.0812","0.0781","","","","0.992","1.034","1.034","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323844","9.319","0.003","12.886","0.005","13.231","0.006","90","","109.23","0.03","90","","1500.2","1.1","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(pyridine-2-selenolato-N,Se)-tricarbonylmolybdenum","","- C13 H8 Mo N2 O3 Se2 -","- C13 H8 Mo N2 O3 Se2 -","- C52 H32 Mo4 N8 O12 Se8 -","4","1","","Carsten O. Kienitz; Carsten Thöne; Peter G. Jones","Coordination Chemistry of 2,2'-Dipyridyl Diselenide: X-ray Crystal Structures of PySeSePy, [Zn(PySeSePddy)Cl~2~], [(PySeSePy):Hg(C~6~F~5~)~2~], [Mo(SePy)~2~(CO)~3~], [W(SePy)~2~(CO)~3~], and [Fe(SePy)~2~(CO)~2~] (PySeSePy = C~5~H~4~NSeSeC~5~H~4~N; SePy = [C~5~H~4~N(2-Se)-N,Se])","Inorganic Chemistry","1996","35","","3990","3997","10.1021/ic951454d","","","0.71073","MoKα","","0.0324","0.0292","","0.0778","0.0732","","","","1.099","1.11","1.11","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323845","9.303","0.002","12.853","0.002","13.232","0.002","90","","109.27","0.01","90","","1493.5","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(pyridine-2-selenolato-N,Se)-tricarbonyltungsten","","- C13 H8 N2 O3 Se2 W -","- C13 H8 N2 O3 Se2 W -","- C52 H32 N8 O12 Se8 W4 -","4","1","","Carsten O. Kienitz; Carsten Thöne; Peter G. Jones","Coordination Chemistry of 2,2'-Dipyridyl Diselenide: X-ray Crystal Structures of PySeSePy, [Zn(PySeSePddy)Cl~2~], [(PySeSePy):Hg(C~6~F~5~)~2~], [Mo(SePy)~2~(CO)~3~], [W(SePy)~2~(CO)~3~], and [Fe(SePy)~2~(CO)~2~] (PySeSePy = C~5~H~4~NSeSeC~5~H~4~N; SePy = [C~5~H~4~N(2-Se)-N,Se])","Inorganic Chemistry","1996","35","","3990","3997","10.1021/ic951454d","","","0.71073","MoKα","","0.044","0.0378","","0.0986","0.0962","","","","1.03","1.079","1.079","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323846","8.484","0.002","14.535","0.003","20.956","0.004","90","","98.88","0.03","90","","2553.2","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cp*Ir(dab)","","","- C28 H35 Ir N2 -","- C28 H35 Ir N2 -","- C112 H140 Ir4 N8 -","4","1","","Stefan Greulich; Wolfgang Kaim; Andreas F. Stange; Hermann Stoll; Jan Fiedler; Stanislav Záliš","Cp*Ir(dab) (dab = 1,4-Bis(2,6-dimethylphenyl)-1,4-diazabutadiene): A Coordinatively Unsaturated Six-π-Electron Metallaheteroaromatic Compound?","Inorganic Chemistry","1996","35","","3998","4002","10.1021/ic9514814","","","0.71073","MoKα","","0.0687","0.0586","","0.159","0.1479","","","","1.329","1.359","1.359","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323847","16.187","0.002","15.823","0.002","11.677","0.001","90","","90","","90","","2990.8","0.6","173","","173","","","","","","","","","7","P n m a","-P 2ac 2n","62","[Cp*IrCl(dab)](PF6)","","","- C28 H35 Cl F6 Ir N2 P -","- C28 H40 Cl F6 Ir N2 P -","- C112 H160 Cl4 F24 Ir4 N8 P4 -","4","0.5","","Stefan Greulich; Wolfgang Kaim; Andreas F. Stange; Hermann Stoll; Jan Fiedler; Stanislav Záliš","Cp*Ir(dab) (dab = 1,4-Bis(2,6-dimethylphenyl)-1,4-diazabutadiene): A Coordinatively Unsaturated Six-π-Electron Metallaheteroaromatic Compound?","Inorganic Chemistry","1996","35","","3998","4002","10.1021/ic9514814","","","0.71073","MoKα","","0.0843","0.0588","","0.1644","0.1454","","","","1.041","1.065","1.065","","","","","has coordinates,has disorder","179341","2020-10-21","18:00:00",""
"4323848","26.5238","0.0015","16.2318","0.0015","12.421","0.004","90","","90","","90","","5347.6","1.8","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C37 H59 Br5 Cl2 Cu8 N6 S3 -","- C37 H59 Br5 Cl2 Cu8 N6 S3 -","- C148 H236 Br20 Cl8 Cu32 N24 S12 -","4","1","","Maurits D. Janssen; Anthony L. Spek; David M. Grove; Gerard van Koten","A Mixed (Arenethiolato)copper(I)/Copper Bromide Aggregate: X-ray Structure of Octanuclear [Cu8{SC6H3(CH2NMe2)2-2,6}3Br5]","Inorganic Chemistry","1996","35","","4078","4081","10.1021/ic9515315","","","0.71073","MoKa","","0.0961","0.0557","","0.1281","0.1108","","","","1.008","1.077","1.077","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323849","11.491","0.005","24.652","0.007","10.002","0.005","98.38","0.03","96.44","0.05","77.25","0.03","2725","2","253","2","253","2","","","","","","","","4","P -1","-P 1","2","","Tris(2,4,6‒tri‒^t^butylphenylamino)antimony","","- C54 H90 N3 Sb -","- C54 H90 N3 Sb -","- C108 H180 N6 Sb2 -","2","1","","Neil Burford; Charles L. B. Macdonald; Katherine N. Robertson; T. Stanley Cameron","Synthesis and Structures of Sb[N(H)(C6H2tBu3)]3 and Bi[N(H)(C6H2tBu3)]3: Implications for the Steric Limits of Supermesityl Substitution","Inorganic Chemistry","1996","35","","4013","4016","10.1021/ic951532x","","","0.71069","MoKα","","0.1207","0.0547","","0.1941","0.1603","","","","1.207","1.342","1.342","","","","","has coordinates,has disorder","179341","2020-10-21","18:00:00",""
"4323850","11.511","0.005","24.785","0.015","9.981","0.005","98.06","0.05","96.5","0.04","77.4","0.05","2741","3","253","2","253","2","","","","","","","","4","P -1","-P 1","2","","Tris(2,4,6‒tri‒^t^butylphenylamino)bismuth","","- C54 H90 Bi N3 -","- C54 H90 Bi N3 -","- C108 H180 Bi2 N6 -","2","1","","Neil Burford; Charles L. B. Macdonald; Katherine N. Robertson; T. Stanley Cameron","Synthesis and Structures of Sb[N(H)(C6H2tBu3)]3 and Bi[N(H)(C6H2tBu3)]3: Implications for the Steric Limits of Supermesityl Substitution","Inorganic Chemistry","1996","35","","4013","4016","10.1021/ic951532x","","","0.71069","MoKα","","0.1664","0.0619","","0.1964","0.1502","","","","1.033","1.148","1.148","","","","","has coordinates,has disorder","179341","2020-10-21","18:00:00",""
"4323851","52.986","0.004","52.986","0.004","10.545","0.001","90","","90","","120","","25639","4","213","2","213","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C54 H54 F12 N6 O0.08 P2 Ru -","- C54 H54 F12 N6 O0.0833333 P2 Ru -","- C972 H972 F216 N108 O1.5 P36 Ru18 -","18","2","","Hansruedi Mürner; Alex von Zelewsky; Helen Stoeckli-Evans","Octahedral Complexes with Predetermined Helical Chirality: Xylene-Bridged Bis([4,5]-pineno-2,2'-bipyridine) Ligands (Chiragen[o-,m-,p-xyl]) with Ruthenium(II)","Inorganic Chemistry","1996","35","","3931","3935","10.1021/ic951539e","","","0.71073","MoKα","","0.3166","0.087","","0.1381","0.0899","","","","0.78","1.143","1.143","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323852","12.556","0.002","12.556","0.002","11.826","0.002","90","","90","","90","","1864.4","0.5","293","2","173","","","","","","","","","5","I -4","I -4","82","Cu4(MEPA)4","","","- C32 H44 Cu4 N8 S4 -","- C32 H44 Cu4 N8 S4 -","- C64 H88 Cu8 N16 S8 -","2","0.25","","Andreas F. Stange; Karl Wilhelm Klinkhammer; Wolfgang Kaim","A tetragonal Bisphenoidal Tetracopper(I) Arrangement Supported by a Potentially Tridentate Ligand Containing Thiolate, Secondary Amine, and 2-Pyridine Functions: Hydrogen-Bonded Instead of Cu(I)-Coordinated Pyridine Rings in an S4-Symmetric Compound","Inorganic Chemistry","1996","35","","4087","4089","10.1021/ic951629j","","","0.71069","MoKα","","0.039","0.0367","","0.0953","0.0931","","","","1.034","1.03","1.03","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323853","19.961","0.004","10.482","0.002","20.15","0.004","90","","91.3","0.03","90","","4214.9","1.4","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H60 Hf N4 O2 -","- C46 H60 Hf N4 O2 -","- C184 H240 Hf4 N16 O8 -","4","1","","Joachim Scholz; Helmar Görls","Reaction of Ketones with 1,4-Diaza-1,3-diene Zirconium and Hafnium Complexes: First Example of a 1,3-Dipolar Cycloaddition Reaction of 1,4-Diaza-1,3-diene Complexes of Early Transition Metals","Inorganic Chemistry","1996","35","","4378","4382","10.1021/ic950513k","","","0.71073","MoKα","","0.0561","0.0363","","0.2314","0.0977","","","","1.23","1.128","1.128","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323854","10.395","0.002","10.865","0.002","16.842","0.003","93.8","0.03","99.84","0.03","106.12","0.03","1787.4","0.7","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H56 N4 O2 Zr -","- C36 H56 N4 O2 Zr -","- C72 H112 N8 O4 Zr2 -","2","1","","Joachim Scholz; Helmar Görls","Reaction of Ketones with 1,4-Diaza-1,3-diene Zirconium and Hafnium Complexes: First Example of a 1,3-Dipolar Cycloaddition Reaction of 1,4-Diaza-1,3-diene Complexes of Early Transition Metals","Inorganic Chemistry","1996","35","","4378","4382","10.1021/ic950513k","","","0.71073","MoKα","","0.0408","0.0359","","0.1082","0.1015","","","","1.075","1.057","1.057","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323855","11.553","0.004","16.517","0.005","14.719","0.004","90","","94.01","0.02","90","","2801.8","1.5","293","2","293","2","","","","","","","synthesis by Hubbard et al.","7","P 1 21/c 1","-P 2ybc","14","[(C5Me5)Ru(NO)(bipy)][OTf]2","[(C5Me5)Ru(NO)(bipy)][OTf]2","","- C22 H23 F6 N3 O7 Ru S2 -","- C22 H23 F6 N3 O7 Ru S2 -","- C88 H92 F24 N12 O28 Ru4 S8 -","4","1","","Thomas K. Schoch; John L. Hubbard; Christopher R. Zoch; Geun-Bae Yi; Morten Sørlie","Synthesis and Structure of the Ruthenium(II) Complexes [(η-C5Me5)Ru(NO)(bipy)]2+ and [(η-C5Me5)Ru(NO)(dppz)]2+. DNA Cleavage by an Organometallic dppz Complex (bipy = 2,2'-Bipyridine; dppz = Dipyrido[3,2-a:2',3'-c]phenazine)","Inorganic Chemistry","1996","35","","4383","4390","10.1021/ic950743z","","","0.71073","MoKα","","0.1684","0.0698","","0.1452","0.1094","","","","1.043","1.141","1.141","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323856","8.911","0.002","30.516","0.005","24.622","0.004","90","","99.02","0.01","90","","6613","2","293","2","293","2","","","","","","","synthesis by Hubbard et al.","7","P 1 21/c 1","-P 2ybc","14","[(C5Me5)Ru(NO)(dppz)][OTf]2","[(C5Me5)Ru(NO)(dppz)][OTf]2","","- C30 H25 F6 N5 O7 Ru S2 -","- C30 H25 F6 N5 O7 Ru S2 -","- C240 H200 F48 N40 O56 Ru8 S16 -","8","2","","Thomas K. Schoch; John L. Hubbard; Christopher R. Zoch; Geun-Bae Yi; Morten Sørlie","Synthesis and Structure of the Ruthenium(II) Complexes [(η-C5Me5)Ru(NO)(bipy)]2+ and [(η-C5Me5)Ru(NO)(dppz)]2+. DNA Cleavage by an Organometallic dppz Complex (bipy = 2,2'-Bipyridine; dppz = Dipyrido[3,2-a:2',3'-c]phenazine)","Inorganic Chemistry","1996","35","","4383","4390","10.1021/ic950743z","","","0.71073","MoKα","","0.1438","0.0789","","0.2227","0.1787","","","","1.039","1.124","1.124","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323857","14.562","0.003","17.062","0.003","7.221","0.001","90","","90","","90","","1794.1","0.5","293","2","293","2","","","","","","","","7","P b a 2","P 2 -2ab","32","","","","- C24 H32 Bi2 Cl6 Fe N2 O4 -","- C24 H32 Bi2 Cl6 Fe N2 O4 -","- C48 H64 Bi4 Cl12 Fe2 N4 O8 -","2","0.5","","Jeffrey R. Eveland; Kenton H. Whitmire; Jean-Yves Saillard","Isolation of a Bismuth Chloride-Iron Carbonyl Adduct: Synthesis and Structural Characterization of [PhCH2NMe3]2[Bi2Cl4(μ-Cl)2{μ-Fe(CO)4}]","Inorganic Chemistry","1996","35","","4400","4405","10.1021/ic951262i","","","0.71069","MoKα","","0.0873","0.0521","","0.1514","0.1257","","","","1.03","1.062","1.062","","","","","has coordinates,has disorder","179341","2020-10-21","18:00:00",""
"4323858","20.173","0.005","42.076","0.008","10.983","0.003","90","0","93.32","0.02","90","0","9307","4","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H58 Cl2 N4 Rh4 S2 -","- C47.5 H56 Cl2 N4 Rh4 S2 -","- C380 H448 Cl16 N32 Rh32 S16 -","8","2","","Cristina Tejel; B. Eva Villarroya; Miguel A. Ciriano; Luis A. Oro; Maurizio Lanfranchi; Antonio Tiripicchio; Marisa Tiripicchio-Camellini","Stepwise Construction of Polynuclear Complexes of Rhodium and Iridium Assisted by Benzimidazole-2-thiol. NMR and X-ray Diffraction Studies","Inorganic Chemistry","1996","35","","4360","4368","10.1021/ic960046m","","","1.54184","Cu-Kα","","","0.0622","","","0.0779","","","","","1.05","1.05","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323859","18.612","0.002","14.341","0.001","14.84","0.001","90","","99.05","0.01","90","","3911.7","0.6","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C91 H86 Cu2 O2 P4 -","- C96 H78 Cu2 N4 O2 P4 -","- C192 H156 Cu4 N8 O4 P8 -","2","0.5","","Euro Solari; Mario Latronico; Philippe Blech; Carlo Floriani; Angiola Chiesi-Villa; Corrado Rizzoli","An Organometallic Methodology Affording Dinuclear Copper(I) Complexes","Inorganic Chemistry","1996","35","","4526","4528","10.1021/ic960072k","","","0.71069","MoKα","","0.0523","0.048","","","","","","","","0.85","0.85","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323860","12.253","0.001","22.403","0.002","26.696","0.002","90","","98.68","0.01","90","","7244.2","1","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C87 H72 Cu2 O4 P4 -","- C87 H72 Cu2 O4 P4 -","- C348 H288 Cu8 O16 P16 -","4","1","","Euro Solari; Mario Latronico; Philippe Blech; Carlo Floriani; Angiola Chiesi-Villa; Corrado Rizzoli","An Organometallic Methodology Affording Dinuclear Copper(I) Complexes","Inorganic Chemistry","1996","35","","4526","4528","10.1021/ic960072k","","","0.71069","MoKα","","","0.0597","","","","","","","","","","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323861","13.597","0.005","24.348","0.008","20.066","0.005","90","","108.31","0.03","90","","6307","4","298.2","","298.2","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H64 N2 O3 P2 Ru S3 -","- C57 H64 N2 O3 P2 Ru S3 -","- C228 H256 N8 O12 P8 Ru4 S12 -","4","1","","Wa-Hung Leung; Man-Ching Wu; Joyce L. C. Chim; Wing-Tak Wong","Synthesis and Reactivities of (Arylsulfonyl)amido Complexes of Ruthenium(II)","Inorganic Chemistry","1996","35","","4801","4803","10.1021/ic9513806","","","0.7107","MoKalpha","","","0.0752","","","0.1126","","","","","1.772","1.772","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323862","10.96","0.001","26.355","0.002","19.862","0.002","90","","103.93","0.02","90","","5568.4","1","568.2","","568.2","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C48.5 H51 Cl I2 N2 O2 P2 Ru2 S4 -","- C54 H45 Cl2 I2 N2 O2 P2 Ru2 S4 -","- C216 H180 Cl8 I8 N8 O8 P8 Ru8 S16 -","4","1","","Wa-Hung Leung; Man-Ching Wu; Joyce L. C. Chim; Wing-Tak Wong","Synthesis and Reactivities of (Arylsulfonyl)amido Complexes of Ruthenium(II)","Inorganic Chemistry","1996","35","","4801","4803","10.1021/ic9513806","","","0.7107","MoKalpha","","","0.0487","","","0.0642","","","","","3.096","3.096","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323863","14.936","0.005","8.8206","0.0008","34.29","0.01","90","","90.77","0.02","90","","4517","2","293","2","293","2","","","","","","","reaction of Re2Cl4(PMe3)4 with PhICl2 in the presence of PMe3","5","P 1 21/c 1","-P 2ybc","14","Pentachloro-tris(1,3,6-/1,2,7-)-trimethylphosphino-dirhenium (II, III)","Pentachloro-tris(1,3,6-/1,2,7-)-trimethylphosphino-dirhenium (II, III)","","- C9 H27 Cl5 P3 Re2 -","- C9 H27 Cl5 P3 Re2 -","- C72 H216 Cl40 P24 Re16 -","8","2","","F. Albert Cotton; Evgeny V. Dikarev","Further Studies of the Isomeric 1,2,7- and 1,3,6-Re2Cl5(PMe3)3 Compounds","Inorganic Chemistry","1996","35","","4738","4742","10.1021/ic951473n","","","0.71073","MoKα","","0.0709","0.0448","","0.1544","0.1157","","","","1.072","1.085","1.085","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323864","8.907","0.001","16.112","0.001","16.683","0.003","90","","94.751","0.006","90","","2385.9","0.5","293","2","293","2","","","","","","","reaction of Re2Cl4(PMe3)4 with PhICl2 in the presence of PMe3","5","P 1 21/n 1","-P 2yn","14","pentachloro-tris(1,3,6-)-trimethylphosphino-dirhenium (II, III) dichloromethane solvate","pentachloro-tris(1,3,6-)-trimethylphosphino-dirhenium (II, III) dichloromethane solvate","","- C9.5 H28 Cl6 P3 Re2 -","- C9.5 H28 Cl6 P3 Re2 -","- C38 H112 Cl24 P12 Re8 -","4","1","","F. Albert Cotton; Evgeny V. Dikarev","Further Studies of the Isomeric 1,2,7- and 1,3,6-Re2Cl5(PMe3)3 Compounds","Inorganic Chemistry","1996","35","","4738","4742","10.1021/ic951473n","","","0.71073","MoKα","","0.0716","0.0491","","0.1476","0.1319","","","","1.058","1.075","1.075","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323865","8.911","0.002","10.686","0.002","10.979","0.003","101.12","0.02","106.82","0.02","91.29","0.02","978.5","0.4","293","2","293","2","","","","","","","reaction of [(n-Bu)4N]2ReeCl8 with PMe3 in propanol at room temperature","6","P 1","P 1","1","Pentachloro-tris(1,2,7-)-trimethylphosphino- dirhenium (II, III)-tetrabutylammonium chloride","Pentachloro-tris(1,2,7-)-trimethylphosphino- dirhenium (II, III)-tetrabutylammonium chloride","","- C25 H63 Cl6 N P3 Re2 -","- C25 H63 Cl6 N P3 Re2 -","- C25 H63 Cl6 N P3 Re2 -","1","1","","F. Albert Cotton; Evgeny V. Dikarev","Further Studies of the Isomeric 1,2,7- and 1,3,6-Re2Cl5(PMe3)3 Compounds","Inorganic Chemistry","1996","35","","4738","4742","10.1021/ic951473n","","","0.71073","MoKα","","0.0611","0.0566","","0.1441","0.1392","","","","1.125","1.12","1.12","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323866","22.481","0.002","19.151","0.009","14.358","0.002","90","","95.19","0.02","90","","6156","3","213","2","213","2","","","","","","","synthesized","7","C 1 2/c 1","-C 2yc","15","","Di[(μ-acetato)bromo(μ-(bis(diphenylphosphino))amine)molybdenum(III)]","","- C66 H64 Br2 Mo2 N2 O4 P4 -","- C66 H48 Br2 Mo2 N2 O4 P4 -","- C264 H192 Br8 Mo8 N8 O16 P16 -","4","0.5","","Deirdre I. Arnold; F. Albert Cotton; Fritz E. Kühn","Preparation and Characterization of Bis[(μ-acetato)halo(μ-bis(diphenylphosphino)amine)molybdenum(II)] Complexes","Inorganic Chemistry","1996","35","","4733","4737","10.1021/ic9514758","","","0.71073","MoKα","","0.0524","0.0429","","0.1023","0.0958","","","","1.124","1.143","1.143","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323867","16.83","0.002","20.31","0.004","16.751","0.002","90","","90","","90","","5725.8","1.5","293","2","293","2","","","","","","","synthesized","7","P b c a","-P 2ac 2ab","61","","Di[(μ-acetato)chloro(μ-bis(diphenylphosphino)amine)molybdenum(III)]","","- C56 H60 Cl2 Mo2 N2 O6 P4 -","- C56 H48 Cl2 Mo2 N2 O6 P4 -","- C224 H192 Cl8 Mo8 N8 O24 P16 -","4","0.5","","Deirdre I. Arnold; F. Albert Cotton; Fritz E. Kühn","Preparation and Characterization of Bis[(μ-acetato)halo(μ-bis(diphenylphosphino)amine)molybdenum(II)] Complexes","Inorganic Chemistry","1996","35","","4733","4737","10.1021/ic9514758","","","1.54184","CuKα","","0.1076","0.0561","","0.1641","0.14","","","","1.052","1.139","1.139","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323868","20.607","0.009","16.02","0.003","17.189","0.005","90","","95.81","0.02","90","","5645","3","293","2","173","2","","","","","","","synthesized","7","P 1 21/c 1","-P 2ybc","14","","Di[(μ-acetato)iodo(m-(βis(dipenylphosphino)amine)molybdenum(III)]","","- C56 H57 I2 Mo2 N3 O5 P4 -","- C56 H48 I2 Mo2 N3 O5 P4 -","- C224 H192 I8 Mo8 N12 O20 P16 -","4","1","","Deirdre I. Arnold; F. Albert Cotton; Fritz E. Kühn","Preparation and Characterization of Bis[(μ-acetato)halo(μ-bis(diphenylphosphino)amine)molybdenum(II)] Complexes","Inorganic Chemistry","1996","35","","4733","4737","10.1021/ic9514758","","","0.71073","MoKα","","0.0951","0.0558","","0.1715","0.1273","","","","1.083","1.044","1.044","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323869","18.2325","0.0007","18.2325","0.0007","6.841","0.0004","90","","90","","120","","1969.44","0.16","","","","","","","","","","","","5","R 3 :H","R 3","146","","","","- C24 H30 Cu3 N3 S3 -","- C24 H30 Cu3 N3 S3 -","- C72 H90 Cu9 N9 S9 -","3","0.333333","","Maurits D. Janssen; Johannes G. Donkervoort; Sofia B. van Berlekom; Anthony L. Spek; David M. Grove; Gerard van Koten","Copper(I) Arenethiolates with Intramolecular Coordination and the Formation of Mixed Organo(arenethiolato)copper(I) Aggregates. X-ray Structures of Trimeric [Cu(SC6H4NMe2-2)]3, Nonameric [Cu(S-1-C10H6NMe2-8)]9, and Hexanuclear [Cu3(S-1-C10H6NMe2-8)2(C\τbCtBu)]2","Inorganic Chemistry","1996","35","","4752","4763","10.1021/ic951664q","","","0.71073","MoKα","","0","0","","0","0","","","","0","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323870","16.081","0.002","26.65","0.004","32.747","0.006","67.32","0.013","76.18","0.012","81.226","0.012","12545","4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C279 H279 Cu18 N18 S18 -","- C279 H279 Cu18 N18 S18 -","- C558 H558 Cu36 N36 S36 -","2","1","","Maurits D. Janssen; Johannes G. Donkervoort; Sofia B. van Berlekom; Anthony L. Spek; David M. Grove; Gerard van Koten","Copper(I) Arenethiolates with Intramolecular Coordination and the Formation of Mixed Organo(arenethiolato)copper(I) Aggregates. X-ray Structures of Trimeric [Cu(SC6H4NMe2-2)]3, Nonameric [Cu(S-1-C10H6NMe2-8)]9, and Hexanuclear [Cu3(S-1-C10H6NMe2-8)2(C\τbCtBu)]2","Inorganic Chemistry","1996","35","","4752","4763","10.1021/ic951664q","","","0.71073","MoKa","","0.3385","0.1183","","0.3059","0.2286","","","","0.907","1.227","1.227","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323871","11.9839","0.0005","12.9391","0.0008","18.9482","0.0007","90","","108.326","0.003","90","","2789.1","0.2","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H66 Cu6 N4 S4 -","- C60 H66 Cu6 N4 S4 -","- C120 H132 Cu12 N8 S8 -","2","0.5","","Maurits D. Janssen; Johannes G. Donkervoort; Sofia B. van Berlekom; Anthony L. Spek; David M. Grove; Gerard van Koten","Copper(I) Arenethiolates with Intramolecular Coordination and the Formation of Mixed Organo(arenethiolato)copper(I) Aggregates. X-ray Structures of Trimeric [Cu(SC6H4NMe2-2)]3, Nonameric [Cu(S-1-C10H6NMe2-8)]9, and Hexanuclear [Cu3(S-1-C10H6NMe2-8)2(C\τbCtBu)]2","Inorganic Chemistry","1996","35","","4752","4763","10.1021/ic951664q","","","0.71073","MoKα","","0","0","","0","0","","","","0","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323872","7.4009","0.0008","10.1192","0.0013","15.93","0.004","81.49","0.02","76.14","0.02","85.784","0.01","1144.6","0.4","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C21 H18 B Cl2 F4 Mo N2 S2 -","- C21 H18 B Cl2 F4 Mo N2 S2 -","- C42 H36 B2 Cl4 F8 Mo2 N4 S4 -","2","1","","John K. Hsu; Cecilia J. Bonangelino; Sharada P. Kaiwar; Christine M. Boggs; James C. Fettinger; Robert S. Pilato","Direct Conversion of α-Substituted Ketones to Metallo-1,2-enedithiolates","Inorganic Chemistry","1996","35","","4743","4751","10.1021/ic9602052","","","0.71073","MoKα","","0.0934","0.0764","","0.2013","0.1915","","","","1.113","1.195","1.195","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323873","21.4514","0.0015","15.474","0.002","12.2201","0.0013","90","","107.44","0.007","90","","3869.9","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20.5 H17 Cl Mo N2 S2 -","- C20.5 H17 Cl Mo N2 S2 -","- C164 H136 Cl8 Mo8 N16 S16 -","8","1","","John K. Hsu; Cecilia J. Bonangelino; Sharada P. Kaiwar; Christine M. Boggs; James C. Fettinger; Robert S. Pilato","Direct Conversion of α-Substituted Ketones to Metallo-1,2-enedithiolates","Inorganic Chemistry","1996","35","","4743","4751","10.1021/ic9602052","","","0.71073","MoKα","","0.0364","0.0275","","0.0698","0.0668","","","","1.02","1.076","1.076","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323874","8.234","0.001","13.439","0.002","18.915","0.002","90","","95.37","0.01","90","","2083.9","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[1,4,7,10,13-pentaazacyclohexadecane-14,16-dione]nickel(II)diacetate","","- C15 H29 N5 Ni O6 -","- C15 H29 N5 Ni O6 -","- C60 H116 N20 Ni4 O24 -","4","1","","Zhong Zhang; Jeffrey L. Petersen; Alan M. Stolzenberg","F430 Model Chemistry. A Reexamination of the [1,4,7,10,13-Pentaazacyclohexadecane-14,16-dionato(2-)]nickel(II)-Induced Formation of Methane from Methyl Coenzyme-M","Inorganic Chemistry","1996","35","","4649","4655","10.1021/ic960263n","","","0.71073","MoKα","","0.0608","0.0374","","0.0939","0.0834","","","","1.029","1.081","1.081","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323875","8.658","0.002","8.663","0.002","8.888","0.002","69.11","0.03","83.51","0.03","62.49","0.03","551.3","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","1,4,7,10-tetraazacyclotridecane-11,13-dione","","- C9 H18 N4 O2 -","- C9 H18 N4 O2 -","- C18 H36 N8 O4 -","2","1","","Zhong Zhang; Jeffrey L. Petersen; Alan M. Stolzenberg","F430 Model Chemistry. A Reexamination of the [1,4,7,10,13-Pentaazacyclohexadecane-14,16-dionato(2-)]nickel(II)-Induced Formation of Methane from Methyl Coenzyme-M","Inorganic Chemistry","1996","35","","4649","4655","10.1021/ic960263n","","","0.71073","MoKα","","0.0783","0.0452","","0.1225","0.1051","","","","1.055","1.134","1.134","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4323876","12.072","0.005","14.622","0.006","10.12","0.004","90.23","0.04","111.75","0.03","112.96","0.03","1504.5","1.2","173.2","","173.2","","","","","","","","","6","P -1","-P 1","2","","","","- C2 F12 Fe2 O10 S8 Sb4 -","- C6 F12 Fe2 O10 S8 Sb4 -","- C12 F24 Fe4 O20 S16 Sb8 -","2","1","","Greg W. Drake; George L. Schimek; Joseph W. Kolis","[Fe2(Sb2S6)(CO)6]2+: A Cationic Group 15/16 Metal Cluster","Inorganic Chemistry","1996","35","","4534","4535","10.1021/ic9603619","","","0.7107","MoKalpha","","","0.059","","","0.093","","","","","4.44","4.44","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323877","8.105","0.003","8.37","0.002","9.437","0.004","69.04","0.03","68.6","0.03","71.53","0.03","543.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[Pd(dino[14]mac](ClO~4~)~2~","(6,13-Dimethyl-6,13-dinitro-1,4,8,11-tetraazacyclotetradecane)palladium(II) perchlorate","","- C12 H26 Cl2 N6 O12 Pd -","- C12 H26 Cl2 N6 O12 Pd -","- C12 H26 Cl2 N6 O12 Pd -","1","0.5","","Monica Rossignoli; Christine C. Allen; Trevor W. Hambley; Geoffrey A. Lawrance; Marcel Maeder","""Swollen"" Macrocycles: Palladium(II)-Directed Template Syntheses of Pendant-Arm 14-, 16-, and 18-Membered Macrocycles","Inorganic Chemistry","1996","35","","4961","4966","10.1021/ic951628r","","","0.71069","MoKα","","0.0394","0.0351","","0.1379","0.1154","","","","1.061","1.065","1.065","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323878","8.391","0.002","12.816","0.003","23.925","0.009","90","","93.18","0.02","90","","2568.9","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Pd(dino[16]mac)](ClO~4~)~2~","(3,11-Dimethyl-3,11-dinitro-1,5,9,13-tetraazacyclohexadecane)palladium(II) perchlorate","","- C14 H30 Cl2 N6 O14 Pd -","- C14 H30 Cl2 N6 O14 Pd -","- C56 H120 Cl8 N24 O56 Pd4 -","4","1","","Monica Rossignoli; Christine C. Allen; Trevor W. Hambley; Geoffrey A. Lawrance; Marcel Maeder","""Swollen"" Macrocycles: Palladium(II)-Directed Template Syntheses of Pendant-Arm 14-, 16-, and 18-Membered Macrocycles","Inorganic Chemistry","1996","35","","4961","4966","10.1021/ic951628r","","","0.71069","MoKα","","0.0768","0.065","","0.228","0.2232","","","","1.781","1.904","1.904","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323879","7.746","0.005","9.912","0.005","18.96","0.02","91.76","0.06","101.73","0.07","112.83","0.05","1303.9","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[Pd(dino[18]mac)](ClO~4~)~2~","(3,12-Dimethyl-3,12-dinitro-1,5,10,14-tetraazacyclooctadecane)palladium(II) perchlorate","","- C16 H32 Cl2 N6 O14 Pd -","- C16 H32 Cl2 N6 O14 Pd -","- C32 H64 Cl4 N12 O28 Pd2 -","2","1","","Monica Rossignoli; Christine C. Allen; Trevor W. Hambley; Geoffrey A. Lawrance; Marcel Maeder","""Swollen"" Macrocycles: Palladium(II)-Directed Template Syntheses of Pendant-Arm 14-, 16-, and 18-Membered Macrocycles","Inorganic Chemistry","1996","35","","4961","4966","10.1021/ic951628r","","","0.7107","MoKα","","0.085","0.0713","","0.2149","0.2061","","","","1.044","1.11","1.11","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323880","22.034","0.006","12.595","0.005","20.651","0.007","90","","121.49","0.02","90","","4887","3","293.2","","293.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H51 Cl2 Fe2 N7 O16 -","- C42.5 H28 Cl2 Fe2 N7 O14.5 -","- C170 H112 Cl8 Fe8 N28 O58 -","4","0.5","","Masahito Kodera; Hisashi Shimakoshi; Masato Nishimura; Hisashi Okawa; Seiichiro Iijima; Koji Kano","Synthesis, Characterization, and Crystal Structure of a (μ-Oxo)bis(μ-acetato)diiron(III) Complex with a Dinucleating Hexapyridine Ligand, 1,2-Bis[2-(bis(2-pyridyl)methyl)-6-pyridyl]ethane. The First Example of a Discrete (μ-Oxo)bis(μ-acetato)diiron(III) Complex with a Dinucleating Ligand","Inorganic Chemistry","1996","35","","4967","4973","10.1021/ic9600994","","","0.7107","MoKα","","","0.083","","","0.0895","","","","","2.429","2.429","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323881","9.272","0.007","11.046","0.008","12.635","0.009","76.78","0.02","81.84","0.02","85.9","0.02","1246","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H60 Cl2 Mn3 N2 O20 -","- C36 H60 Cl2 Mn3 N2 O20 -","- C36 H60 Cl2 Mn3 N2 O20 -","1","0.5","","Vasilis Tangoulis; Dora A. Malamatari; Kali Soulti; Voula Stergiou; Catherine P. Raptopoulou; Aris Terzis; Themistoklis A. Kabanos; Dimitris P. Kessissoglou","Manganese(II/II/II) and Manganese(III/II/III) Trinuclear Compounds. Structure and Solid and Solution Behavior","Inorganic Chemistry","1996","35","","4974","4983","10.1021/ic960183j","","","0.71073","MoKα","","0.0413","0.0349","","0.1004","0.0941","","","","1.035","1.054","1.054","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323882","13.345","0.006","8.514","0.004","9.494","0.004","75.48","0.01","75.83","0.01","76.42","0.01","995","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 Mn3 N6 O12 -","- C36 H36 Mn3 N6 O12 -","- C36 H36 Mn3 N6 O12 -","1","0.5","","Vasilis Tangoulis; Dora A. Malamatari; Kali Soulti; Voula Stergiou; Catherine P. Raptopoulou; Aris Terzis; Themistoklis A. Kabanos; Dimitris P. Kessissoglou","Manganese(II/II/II) and Manganese(III/II/III) Trinuclear Compounds. Structure and Solid and Solution Behavior","Inorganic Chemistry","1996","35","","4974","4983","10.1021/ic960183j","","","0.71073","MoKα","","0.0382","0.0298","","0.0832","0.0758","","","","1.046","1.059","1.059","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323883","8.776","0.003","22.182","0.007","13.575","0.004","90","","94.44","0.01","90","","2634.7","1.5","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H56 Cl2 Mn3 N2 O18 -","- C48 H56 Cl2 Mn3 N2 O18 -","- C96 H112 Cl4 Mn6 N4 O36 -","2","0.5","","Vasilis Tangoulis; Dora A. Malamatari; Kali Soulti; Voula Stergiou; Catherine P. Raptopoulou; Aris Terzis; Themistoklis A. Kabanos; Dimitris P. Kessissoglou","Manganese(II/II/II) and Manganese(III/II/III) Trinuclear Compounds. Structure and Solid and Solution Behavior","Inorganic Chemistry","1996","35","","4974","4983","10.1021/ic960183j","","","0.71073","MoKα","","0.0597","0.0378","","0.1104","0.0957","","","","1.038","1.061","1.061","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323884","19.794","0.007","14.753","0.007","25.626","0.005","90","","107.65","0.02","90","","7131","5","23","","23","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C71 H58 Cl6 N4 O4 P4 Pd2 -","- C288 H208 Cl56 N16 O16 P16 Pd8 -","- C288 H208 Cl56 N16 O16 P16 Pd8 -","","","","Kazushi Mashima; Mitsuhiro Tanaka; Kazuhide Tani; Hiroshi Nakano; Akira Nakamura","Dinuclear Pd(I)-Pd(I) and Pt(II)...Pt(II) Complexes Supported by Tridentate Pyphos Ligands (Pyphos = 6-(Diphenylphosphino)-2-pyridonate)","Inorganic Chemistry","1996","35","","5244","5248","10.1021/ic951658u","","","0.7107","MoKalpha","","","0.0577","","","0.0804","","","","","2.239","2.239","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323885","19.646","0.002","11.411","0.004","30.368","0.003","90","","109.782","0.008","90","","6406","2","20","","20","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H56 Cl4 N4 O4 P4 Pt2 -","- C280 H224 Cl16 N16 O16 P16 Pt8 -","- C280 H224 Cl16 N16 O16 P16 Pt8 -","","","","Kazushi Mashima; Mitsuhiro Tanaka; Kazuhide Tani; Hiroshi Nakano; Akira Nakamura","Dinuclear Pd(I)-Pd(I) and Pt(II)...Pt(II) Complexes Supported by Tridentate Pyphos Ligands (Pyphos = 6-(Diphenylphosphino)-2-pyridonate)","Inorganic Chemistry","1996","35","","5244","5248","10.1021/ic951658u","","","0.7107","MoKalpha","","","0.046","","","0.037","","","","","3.25","3.25","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323886","9.338","0.006","33.415","0.007","10.516","0.007","90","","100.3","0.06","90","","3228","3","298.2","","298.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H10 N2 O19 Ru6 -","- C19 H10 N2 O19 Ru6 -","- C76 H40 N8 O76 Ru24 -","4","1","","Kenneth Ka Hong Lee; Wing Tak Wong","A Hexanuclear Ruthenium Carbonyl Cluster Containing both μ3-Nitrene and μ5-Nitrido Ligands","Inorganic Chemistry","1996","35","","5393","5395","10.1021/ic960161x","","","0.7107","MoKalpha","","","0.0344","","","0.0367","","","","","1.505","1.505","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323887","18.031","0.006","14.48","0.005","14.722","0.004","90","","112.55","0.02","90","","3550","2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Ferric Train","[Fe2(tren)2(mtm)O]n(CF3SO3)n(Cl)n","","- C19 H42 Cl F3 Fe2 N8 O8 S3 -","- C19 H30 Cl F3 Fe2 N8 O8 S3 -","- C76 H120 Cl4 F12 Fe8 N32 O32 S12 -","4","1","","Chang Seop Hong; Jinkwon Kim; Nam Hwi Hur; Youngkyu Do","The First (μ-Oxo)diferric Chain Complex: Structure and Magnetic Properties of [Fe2(tren)2(mtm)O]n(CF3SO3)nCln","Inorganic Chemistry","1996","35","","5110","5111","10.1021/ic9602097","","","0.71073","MoKα","","0.1432","0.0896","","0.2829","0.2258","","","","1.095","1.136","1.136","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323888","12.0862","0.0002","12.0862","","3.6435","0.0003","90","","90","","90","","532.23","0.04","296.2","","296.2","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","","","- Ni2 P4 Zr9 -","- Ni2 P4 Zr9 -","- Ni4 P8 Zr18 -","2","0.125","","Holger Kleinke; Hugo F. Franzen","Zr9Co2P4 and Zr9Ni2P4: A New 3D Structure Type, Consisting of Edge- and Vertex-Condensed Zr6 Octahedra","Inorganic Chemistry","1996","35","","5272","5277","10.1021/ic960214a","","","0.7107","MoKalpha","","","0.0247","","","0.0218","","","","","1.419","1.419","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323889","10.307","0.001","19.069","0.004","19.608","0.002","90","","90","","95.67","0.01","3835","1","293","2","293","2","","","","","","","","7","P 1 1 21/b","-P 2bc","14","","","","- C28 H53 B9 Mo N2 O3 S2 -","- C28 H45 B9 Mo N2 O3 S2 -","- C112 H180 B36 Mo4 N8 O12 S8 -","4","1","","Jae-Hak Kim; Eunkee Hong; Jinkwon Kim; Youngkyu Do","Oxidation of Tricarbonylmolybdacarborane. 1. First Examples of Oxomolybda(VI)carboranes","Inorganic Chemistry","1996","35","","5112","5113","10.1021/ic960223j","","","0.71073","MoKα","","0.1182","0.0714","","0.1834","0.1571","","","","1.104","1.175","1.175","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323890","20.104","0.002","7.0278","0.0005","30.648","0.003","90","","90","","90","","4330.2","0.7","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H35 B9 Mo N2 O3 -","- C10 H24 B9 Mo N2 O3 -","- C80 H192 B72 Mo8 N16 O24 -","8","2","","Jae-Hak Kim; Eunkee Hong; Jinkwon Kim; Youngkyu Do","Oxidation of Tricarbonylmolybdacarborane. 1. First Examples of Oxomolybda(VI)carboranes","Inorganic Chemistry","1996","35","","5112","5113","10.1021/ic960223j","","","0.71073","MoKα","","0.1692","0.0881","","0.215","0.1858","","","","1.131","1.427","1.427","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"4323891","10.059","0.002","10.701","0.002","13.3998","0.0014","103.88","0.01","96.61","0.02","100.84","0.02","1355.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H60 B18 Mo2 O5 P2 -","- C48 H60 B18 Mo2 O5 P2 -","- C48 H60 B18 Mo2 O5 P2 -","1","0.5","","Jae-Hak Kim; Eunkee Hong; Jinkwon Kim; Youngkyu Do","Oxidation of Tricarbonylmolybdacarborane. 1. First Examples of Oxomolybda(VI)carboranes","Inorganic Chemistry","1996","35","","5112","5113","10.1021/ic960223j","","","0.71073","MoKα","","0.0362","0.0285","","0.0691","0.0662","","","","1.082","1.107","1.107","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323892","8.823","0.004","34.939","0.005","10.729","0.003","90","","93.58","0.03","90","","3300.9","1.8","20","","20","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C26 H33 Cl2 F3 N2 O4 P2 S W -","- C104 H132 Cl8 F12 N8 O16 P8 S4 W4 -","- C104 H132 Cl8 F12 N8 O16 P8 S4 W4 -","","","","Youichi Ishii; Shin'ichi Tokunaga; Hidetake Seino; Masanobu Hidai","Synthesis of Tungsten (1-Pyridinio)imido Complexes: Facile N-N Bond Cleavage To Form Pyridine from Coordinated Dinitrogen1","Inorganic Chemistry","1996","35","","5118","5119","10.1021/ic960632f","","","0.7107","MoKalpha","","","0.041","","","0.027","","","","","1.33","1.33","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323893","12.994","0.007","13.634","0.004","12.801","0.007","101.49","0.04","114.98","0.04","105.42","0.04","1851.5","1.9","298","","298","","","","","","","","methylene chloride/pentane","8","P 1","P 1","1","","","","- C74 H72 Ag Cl6 N8 Ni O8 S2 -","- C74 H72 Ag Cl6 N8 Ni O8 S2 -","- C74 H72 Ag Cl6 N8 Ni O8 S2 -","1","1","","M. W. Renner; K. M. Barkigia; D. Melamed; K. M. Smith; J. Fajer","Ligand-Bridged Heterobimetallic Polymers: Silver(I)-Benzothiadiazole-Nickel Porphyrin Cation-Benzothiadiazole Arrays","Inorganic Chemistry","1996","35","","5120","5121","10.1021/ic960673b","","","1.54184","Cu-Kα","","0.134","0.103","","","0.113","","","","","3.017","3.017","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323894","28.442","0.013","18.469","0.015","23.785","0.009","90","","116.76","","90","","11156","11","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H50 F12 N8 O4 P2 Ru -","- C52 H50 F12 N8 O4 P2 Ru -","- C416 H400 F96 N64 O32 P16 Ru8 -","8","1","","Yue Luo; Pierre G. Potvin; Yu-Hong Tse; A. B. P. Lever","Diastereoselective Synthesis, Spectroscopy, and Electrochemistry of Ruthenium(II) Complexes of Substituted Pyrazolylpyridine Ligands","Inorganic Chemistry","1996","35","","5445","5452","10.1021/ic950694q","","","0.71073","MoKα","","0.1624","0.1031","","0.3218","0.2573","","","","1.049","1.145","1.145","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323895","10.354","0.012","16.79","0.015","24.35","0.03","90","","93.2","0.09","90","","4226","8","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H112 Cl16 Mn4 O14 Sn2 -","- C56 H112 Cl16 Mn4 O14 Sn2 -","- C112 H224 Cl32 Mn8 O28 Sn4 -","2","0.5","","Zofia Janas; Tadeusz Lis; Piotr Sobota","Formation of Mono- and Multimanganese Cationic Species. Crystal Structure of [Mn4(μ-Cl)6(THF)12][SnCl5(THF)]2","Inorganic Chemistry","1996","35","","5737","5739","10.1021/ic951236k","","","0.71069","MoKα","","0.0277","","","0.0658","","","","","1.049","","","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323896","6.7366","0.0005","7.4286","0.0006","21.603","0.002","90","","90","","90","","1081.09","0.16","298","2","298","2","","","","","","","synthesized","4","P 21 21 21","P 2ac 2ab","19","potassium yttrium selenodiphosphate (IV)","","","- K P2 Se6 Y -","- K P2 Se6 Y -","- K4 P8 Se24 Y4 -","4","1","","John H. Chen; Peter K. Dorhout; J. E. Ostenson","A Comparative Study of Two New Structure Types. Synthesis and Structural and Electronic Characterization of K(RE)P2Se6 (RE = Y, La, Ce, Pr, Gd)","Inorganic Chemistry","1996","35","","5627","5633","10.1021/ic9516121","","","0.71073","MoKα","","0.0509","0.0402","","0.0874","0.0838","","","","1.039","1.071","1.071","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323897","11.253","0.004","11.585","0.002","7.2107","0.0015","92.93","0.02","100.94","0.02","74.51","0.02","889.4","0.4","293","2","153","2","","","","","","","","4","P -1","-P 1","2","cesium copper selenosulfide","","","- Cs Cu S1.6 Se4.4 -","- Cs2 Cu2 S3.199 Se8.801 -","- Cs4 Cu4 S6.398 Se17.602 -","2","1","","Casey C. Raymond; Peter K. Dorhout","Synthesis, Characterization, and Bonding of Two New Heteropolychalcogenides: α-CsCu(SxSe4-x) and CsCu(SxSe6-x)","Inorganic Chemistry","1996","35","","5634","5641","10.1021/ic9516370","","","0.71073","MoKα","","0.1049","0.0744","","0.2067","0.1962","","","","1.032","1.227","1.227","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323898","5.439","0.001","8.878","0.002","13.762","0.004","90","","90","","90","","664.5","0.3","293","2","293","2","","","","","","","synthesized","4","P 21 21 21","P 2ac 2ab","19","cesium copper diselenodisulfide","","","- Cs Cu S2 Se2 -","- Cs Cu S2.01 Se1.99 -","- Cs4 Cu4 S8.04 Se7.96 -","4","1","","Casey C. Raymond; Peter K. Dorhout","Synthesis, Characterization, and Bonding of Two New Heteropolychalcogenides: α-CsCu(SxSe4-x) and CsCu(SxSe6-x)","Inorganic Chemistry","1996","35","","5634","5641","10.1021/ic9516370","","","0.71073","MoKα","","0.0472","0.0395","","0.0958","0.0919","","","","1.07","1.094","1.094","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323899","42.258","0.014","11.907","0.003","21.472","0.005","90","","94.449","0.009","90","","10771","5","160","2","160","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C21 H49 Cl3 Mo3 N15 O0.5 S13 Sn -","- C21 H48 Cl3 Mo3 N15 O0.5 S13 Sn -","- C168 H384 Cl24 Mo24 N120 O4 S104 Sn8 -","8","1","","Jane E. Varey; Gert J. Lamprecht; Vladimir P. Fedin; Alvin Holder; William Clegg; Mark R. J. Elsegood; A. Geoffrey Sykes","Interconversion and Reactivity of Two Heterometallic Tin-Containing Cuboidal Clusters from [Mo3S4(H2O)9]4+: X-ray Structure of the Single Cube with an Mo3SnS4 Core","Inorganic Chemistry","1996","35","","5525","5530","10.1021/ic951659m","","","0.71073","MoKα","","0.0934","0.0817","","0.1563","0.1518","","","","1.434","1.461","1.461","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4323900","11.662","0.006","13.902","0.003","19.634","0.002","71.24","0.02","86.91","0.04","77.89","0.03","2946.7","1.7","213","","213","","","","","","","","","6","P -1","-P 1","2","","","","- C67 H67 N2 O2 Ru Sn2 -","- C67 H64 N2 O2 Ru Sn2 -","- C134 H128 N4 O4 Ru2 Sn4 -","2","1","","Maxim P. Aarnts; Maikel P. Wilms; Karin Peelen; Jan Fraanje; Kees Goubitz; František Hartl; Derk J. Stufkens; Evert Jan Baerends; Antonín Vlček","Bonding Properties of a Novel Inorganometallic Complex, Ru(SnPh3)2(CO)2(iPr-DAB) (iPr-DAB =N,N'-Diisopropyl-1,4-diaza-1,3-butadiene), and its Stable Radical-Anion, Studied by UV-Vis, IR, and EPR Spectroscopy, (Spectro-) Electrochemistry, and Density Functional Calculations","Inorganic Chemistry","1996","35","","5468","5477","10.1021/ic960042h","","","1.5418","Cu-Kα","","0.12","0.12","","0.179","0.179","","","","1.045","1.045","1.045","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4323901","11.744","0.002","15.526","0.003","15.866","0.003","90","","101.58","0.01","90","","2834.1","0.9","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(dppp)Pt(CO3) dichloromethane","","- C29 H28 Cl2 O3 P2 Pt -","- C31 H28 O3 P2 Pt -","- C124 H112 O12 P8 Pt4 -","4","1","","Mark A. Andrews; George L. Gould; Wim T. Klooster; Kristina S. Koenig; Eric J. Voss","Syntheses, Spectra, and Structures of (Diphosphine)platinum(II) Carbonate Complexes","Inorganic Chemistry","1996","35","","5478","5483","10.1021/ic9603159","","","0.71069","MolybdinumKα","","","0.0714","","","0.0586","","","","","1.342","1.342","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323902","10.362","0.008","14.743","0.006","19.183","0.01","90","","122.69","0.06","90","","2466","3","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(dppp)Pt(CO3)","","- C28 H26 O3 P2 Pt -","- C28 H26 O3 P2 Pt -","- C112 H104 O12 P8 Pt4 -","4","1","","Mark A. Andrews; George L. Gould; Wim T. Klooster; Kristina S. Koenig; Eric J. Voss","Syntheses, Spectra, and Structures of (Diphosphine)platinum(II) Carbonate Complexes","Inorganic Chemistry","1996","35","","5478","5483","10.1021/ic9603159","","","0.71069","MolybdinumKα","","","0.0781","","","0.0766","","","","","1.889","1.889","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323903","17.0545","0.0006","17.0545","0.0006","22.807","0.003","90","","90","","90","","6633.6","0.9","296","2","296","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","tetrabutylammonium bis(phtahlocyaninato)-neodymium(iii)","","- C80 H68 N17 Nd -","- C80 H32 N17 Nd -","- C320 H128 N68 Nd4 -","4","0.25","","Naoto Koike; Hidehiro Uekusa; Yuji Ohashi; Chokto Harnoode; Fusao Kitamura; Takeo Ohsaka; Koichi Tokuda","Relationship between the Skew Angle and Interplanar Distance in Four Bis(phthalocyaninato)lanthanide(III) Tetrabutylammonium Salts ([NBun4][LnIIIPc2]; Ln = Nd, Gd, Ho, Lu)","Inorganic Chemistry","1996","35","","5798","5804","10.1021/ic960158d","","","0.71073","MoKα","","0.0846","0.0506","","0.1663","0.1297","","","","1.06","1.147","1.147","","","","","has coordinates,has disorder","179342","2020-10-21","18:00:00",""
"4323904","17.399","0.008","17.399","","11.377","0.006","90","","90","","90","","3444","2","296","2","296","2","","","","","","","","4","P 4 21 2","P 4ab 2ab","90","","tetrabutylammonium bis(phtahlocyaninato)-gadolinium(iii)","","- C80 H68 Gd N17 -","- C80.04 H32 Gd N17 -","- C160.08 H64 Gd2 N34 -","2","0.25","","Naoto Koike; Hidehiro Uekusa; Yuji Ohashi; Chokto Harnoode; Fusao Kitamura; Takeo Ohsaka; Koichi Tokuda","Relationship between the Skew Angle and Interplanar Distance in Four Bis(phthalocyaninato)lanthanide(III) Tetrabutylammonium Salts ([NBun4][LnIIIPc2]; Ln = Nd, Gd, Ho, Lu)","Inorganic Chemistry","1996","35","","5798","5804","10.1021/ic960158d","","","0.71073","MoKα","","0.1124","0.0782","","0.2531","0.2124","","","","1.054","1.168","1.168","","","","","has coordinates,has disorder","179342","2020-10-21","18:00:00",""
"4323905","18.096","0.005","18.096","","11.079","0.006","90","","90","","90","","3628","2","296","2","296","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","tetrabutylammonium bis(phtahlocyaninato)-holmium(iii) water solvate","","- C80 H70 Ho N17 O -","- C80 H32 Ho N17 O1.02 -","- C160 H64 Ho2 N34 O2.04 -","2","0.25","","Naoto Koike; Hidehiro Uekusa; Yuji Ohashi; Chokto Harnoode; Fusao Kitamura; Takeo Ohsaka; Koichi Tokuda","Relationship between the Skew Angle and Interplanar Distance in Four Bis(phthalocyaninato)lanthanide(III) Tetrabutylammonium Salts ([NBun4][LnIIIPc2]; Ln = Nd, Gd, Ho, Lu)","Inorganic Chemistry","1996","35","","5798","5804","10.1021/ic960158d","","","0.71073","MoKα","","0.1167","0.0609","","0.1969","0.1474","","","","1.103","1.194","1.194","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323906","18.171","0.003","18.171","","10.987","0.004","90","","90","","90","","3627.7","1.5","296","2","296","2","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","tetrabutylammonium bis(phtahlocyaninato)-lutetium(iii) water solvate","","- C80 H70 Lu N17 O -","- C80 H28 Lu N17 O2.4 -","- C160 H56 Lu2 N34 O4.8 -","2","0.125","","Naoto Koike; Hidehiro Uekusa; Yuji Ohashi; Chokto Harnoode; Fusao Kitamura; Takeo Ohsaka; Koichi Tokuda","Relationship between the Skew Angle and Interplanar Distance in Four Bis(phthalocyaninato)lanthanide(III) Tetrabutylammonium Salts ([NBun4][LnIIIPc2]; Ln = Nd, Gd, Ho, Lu)","Inorganic Chemistry","1996","35","","5798","5804","10.1021/ic960158d","","","0.71073","MoKα","","0.0861","0.0511","","0.1508","0.1343","","","","1.078","1.14","1.14","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323907","30.529","0.003","30.529","0.003","13.795","0.003","90","","90","","90","","12857","3","208","2","208","2","","","","","","","","6","I -4","I -4","82","","","","- C63 H78 Mo N9 O9 P3 -","- C63 H57 Mo N9 O9 P3 -","- C504 H456 Mo8 N72 O72 P24 -","8","1","","Philipp Stössel; Hermann A. Mayer; Cäcilia Maichle-Mössmer; Riad Fawzi; Manfred Steimann","The Mo(CO)3 Fragment as an Organometallic Protection Group in the Synthesis of Functionalized Tripodal Phosphine Ligands","Inorganic Chemistry","1996","35","","5860","5867","10.1021/ic9602512","","","1.54056","Cu-Kαlpha","","0.0565","0.0535","","0.1582","0.1532","","","","1.092","1.087","1.087","","","","","has coordinates,has disorder","179342","2020-10-21","18:00:00",""
"4323908","11.705","0.005","16.941","0.009","22.526","0.009","90","","96.51","0.03","90","","4438","4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H51 Mo O6 P3 -","- C51 H51 Mo O6 P3 -","- C204 H204 Mo4 O24 P12 -","4","1","","Philipp Stössel; Hermann A. Mayer; Cäcilia Maichle-Mössmer; Riad Fawzi; Manfred Steimann","The Mo(CO)3 Fragment as an Organometallic Protection Group in the Synthesis of Functionalized Tripodal Phosphine Ligands","Inorganic Chemistry","1996","35","","5860","5867","10.1021/ic9602512","","","0.71073","MoKα","","0.0789","0.054","","0.1599","0.1375","","","","1.544","1.612","1.612","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323909","10.68","0.003","13.46","0.003","14.277","0.004","86.49","0.02","83.18","0.02","66.64","0.02","1870.6","0.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","{trans-(Cl)([14]aneN~4~)RhH}~2~(ZnCl~4~)-dmso","","- C22 H54 Cl6 N8 O Rh2 S Zn -","- C22 H56 Cl6 N8 O Rh2 S Zn -","- C44 H112 Cl12 N16 O2 Rh4 S2 Zn2 -","2","1","","Andreja Bakac; Leonard M. Thomas","Macrocyclic Rhodium(III) Hydrides and a Monomeric Rhodium(II) Complex","Inorganic Chemistry","1996","35","","5880","5884","10.1021/ic960300a","","","1.54178","CuKα","","0.1318","0.0695","","0.1857","0.1582","","","","0.888","1.062","1.062","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323910","12.152","0.003","15.26","0.003","14.764","0.005","90","","106.9","0.02","90","","2619.6","1.2","100","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 Li N3 S -","- C28 H38 Li N3 S -","- C112 H152 Li4 N12 S4 -","4","1","","Karin Ruhlandt-Senge; Ulrich Englich; Mathias O. Senge; Scott Chadwick","Synthesis and Structural Characterization of Lithium Thiolates: Dependence of Association and Aggregation on Donor Hapticity and Ligand Size and Synthesis of the First Trimeric Lithium Thiolate [Li(THF)SR]3 and the Solvent-Separated Ion Pair [Li(12-crown-4)2][SR] (R = 2,4,6-tBu3C6H2)1","Inorganic Chemistry","1996","35","","5820","5827","10.1021/ic960375e","","","1.54178","CuKα","","0.0987","0.0644","","0.1624","0.1426","","","","1.041","1.096","1.096","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323911","15.805","0.007","9.206","0.004","18.923","0.007","90","","99.74","0.03","90","","2714","2","","","228","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H46 Li N3 S -","- C24 H43 Li N3 S -","- C96 H172 Li4 N12 S4 -","4","1","","Karin Ruhlandt-Senge; Ulrich Englich; Mathias O. Senge; Scott Chadwick","Synthesis and Structural Characterization of Lithium Thiolates: Dependence of Association and Aggregation on Donor Hapticity and Ligand Size and Synthesis of the First Trimeric Lithium Thiolate [Li(THF)SR]3 and the Solvent-Separated Ion Pair [Li(12-crown-4)2][SR] (R = 2,4,6-tBu3C6H2)1","Inorganic Chemistry","1996","35","","5820","5827","10.1021/ic960375e","","","1.54178","CuKα","","0.1295","0.085","","0.2369","0.2017","","","","1.038","1.125","1.125","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323912","13.141","0.003","12.381","0.002","14.664","0.003","90","","94.84","0.03","90","","2377.3","0.8","","","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H62 Li2 O4 S2 -","- C54 H62 Li2 O4 S2 -","- C108 H124 Li4 O8 S4 -","2","0.5","","Karin Ruhlandt-Senge; Ulrich Englich; Mathias O. Senge; Scott Chadwick","Synthesis and Structural Characterization of Lithium Thiolates: Dependence of Association and Aggregation on Donor Hapticity and Ligand Size and Synthesis of the First Trimeric Lithium Thiolate [Li(THF)SR]3 and the Solvent-Separated Ion Pair [Li(12-crown-4)2][SR] (R = 2,4,6-tBu3C6H2)1","Inorganic Chemistry","1996","35","","5820","5827","10.1021/ic960375e","","","0.71073","MoKα","","0.1176","0.0524","","0.1405","0.1145","","","","1.006","1.058","1.058","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323913","18.906","0.004","9.516","0.002","25.617","0.005","90","","92.75","0.03","90","","4603.4","1.6","","","130","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C42 H78 Li2 N4 S2 -","- C42 H70 Li2 N4 S2 -","- C168 H280 Li8 N16 S8 -","4","0.5","","Karin Ruhlandt-Senge; Ulrich Englich; Mathias O. Senge; Scott Chadwick","Synthesis and Structural Characterization of Lithium Thiolates: Dependence of Association and Aggregation on Donor Hapticity and Ligand Size and Synthesis of the First Trimeric Lithium Thiolate [Li(THF)SR]3 and the Solvent-Separated Ion Pair [Li(12-crown-4)2][SR] (R = 2,4,6-tBu3C6H2)1","Inorganic Chemistry","1996","35","","5820","5827","10.1021/ic960375e","","","1.54178","CuKα","","0.0839","0.0668","","0.1891","0.1714","","","","1.02","1.049","1.049","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323914","10.134","0.002","19.8","0.004","18.423","0.004","90","","93.15","0.03","90","","3691","1.3","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H61 Li O8 S -","- C34 H29 Li O8 S -","- C136 H116 Li4 O32 S4 -","4","1","","Karin Ruhlandt-Senge; Ulrich Englich; Mathias O. Senge; Scott Chadwick","Synthesis and Structural Characterization of Lithium Thiolates: Dependence of Association and Aggregation on Donor Hapticity and Ligand Size and Synthesis of the First Trimeric Lithium Thiolate [Li(THF)SR]3 and the Solvent-Separated Ion Pair [Li(12-crown-4)2][SR] (R = 2,4,6-tBu3C6H2)1","Inorganic Chemistry","1996","35","","5820","5827","10.1021/ic960375e","","","0.71073","MoKα","","0.1478","0.0917","","0.2843","0.2466","","","","1.603","1.879","1.879","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323915","10.542","0.002","12.821","0.003","18.729","0.004","90","","102.22","0.03","90","","2474","1","","","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 Li O4 S -","- C27 H15 Li O4 S -","- C108 H60 Li4 O16 S4 -","4","1","","Karin Ruhlandt-Senge; Ulrich Englich; Mathias O. Senge; Scott Chadwick","Synthesis and Structural Characterization of Lithium Thiolates: Dependence of Association and Aggregation on Donor Hapticity and Ligand Size and Synthesis of the First Trimeric Lithium Thiolate [Li(THF)SR]3 and the Solvent-Separated Ion Pair [Li(12-crown-4)2][SR] (R = 2,4,6-tBu3C6H2)1","Inorganic Chemistry","1996","35","","5820","5827","10.1021/ic960375e","","","0.71073","MoKα","","0.1526","0.0859","","0.2923","0.2318","","","","1.037","1.124","1.124","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323916","21.04","0.012","12.778","0.009","20.298","0.013","90","","118.26","0.06","90","","4807","6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H72 Al2 O8 P2 Si4 -","- C28 H72 Al2 O8 P2 Si4 -","- C112 H288 Al8 O32 P8 Si16 -","4","0.5","","Mark R. Mason; R. Mark Matthews; Mark S. Mashuta; John F. Richardson","Organic-Soluble Cyclic and Cage Alkylaluminophosphates: X-ray Crystal Structure of [(tBu)2Al(μ2-O)2P(OSiMe3)2]2","Inorganic Chemistry","1996","35","","5756","5757","10.1021/ic960619v","","","0.7107","MoKα","","","0.054","","","0.055","","","","","1.712","1.712","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323917","14.651","0.001","15.355","0.001","11.671","0.001","105.7","0.01","102.66","0.01","97.65","0.01","2413.9","0.4","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H60 Co2 N4 Na2 O22 -","- C55 H44 Co2 N4 Na3 O12 -","- C110 H88 Co4 N8 Na6 O24 -","2","1","","Stefania De Angelis; Euro Solari; Emma Gallo; Carlo Floriani; Angiola Chiesi-Villa; Corrado Rizzoli","Formation of Carbon-Carbon-Bonded Dimers in the Reduction of [CoIIsalophen] [salophen =N,N'-o-Phenylenebis(salicylideneaminato)]: Their Reactivity with Electrophiles To Form Co-C Bonds","Inorganic Chemistry","1996","35","","5995","6003","10.1021/ic951661d","","","0.71069","MoKα","","0.0492","0.0492","","0.1303","0.1303","","","","1.058","1.058","1.058","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323918","11.27","0.002","17.594","0.003","16.606","0.003","90","","90.45","0.02","90","","3292.6","1","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H84 Co2 N4 Na2 O12 -","- C68 H76 Co2 N4 Na2 O14 -","- C136 H152 Co4 N8 Na4 O28 -","2","0.5","","Stefania De Angelis; Euro Solari; Emma Gallo; Carlo Floriani; Angiola Chiesi-Villa; Corrado Rizzoli","Formation of Carbon-Carbon-Bonded Dimers in the Reduction of [CoIIsalophen] [salophen =N,N'-o-Phenylenebis(salicylideneaminato)]: Their Reactivity with Electrophiles To Form Co-C Bonds","Inorganic Chemistry","1996","35","","5995","6003","10.1021/ic951661d","","","0.71069","MoKα","","0.0528","0.0526","","0.1291","0.1289","","","","1.031","1.033","1.033","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323919","11.857","0.004","12.639","0.004","10.553","0.005","106.28","0.03","101.17","0.03","103.04","0.03","1422","1","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H70 Co2 N4 Na2 O12 -","- C70 H52 Co2 N4 Na2 O12 -","- C70 H52 Co2 N4 Na2 O12 -","1","0.5","","Stefania De Angelis; Euro Solari; Emma Gallo; Carlo Floriani; Angiola Chiesi-Villa; Corrado Rizzoli","Formation of Carbon-Carbon-Bonded Dimers in the Reduction of [CoIIsalophen] [salophen =N,N'-o-Phenylenebis(salicylideneaminato)]: Their Reactivity with Electrophiles To Form Co-C Bonds","Inorganic Chemistry","1996","35","","5995","6003","10.1021/ic951661d","","","0.71069","MoKα","","0.2835","0.0572","","0.178","0.1621","","","","0.815","1.232","1.232","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323920","8.1193","0.0023","18.7836","0.0017","14.6017","0.0013","90","","92.994","0.016","90","","2223.9","0.7","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Complex 2","","- C22 H21 O5 Re W -","- C22 H21 O5 Re W -","- C88 H84 O20 Re4 W4 -","4","1","","Hsiao-Ling Wu; Guey-Lin Lu; Yun Chi; Louis J. Farrugia; Shie-Ming Peng; Gene-Hsiang Lee","Oxo Ligand Reactivity and Bonding in the Dinuclear W-Re Oxo-Acetylide Complex (η5-C5Me5)W(O)Re(CO)4(μ-H)(CCPh)","Inorganic Chemistry","1996","35","","6015","6020","10.1021/ic9601394","","","0.7107","MolybdenumKα","","0.035","0.027","","0.027","0.027","","","","","1.93","1.93","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323921","8.8658","0.001","11.205","0.0016","11.22","0.003","77.421","0.018","77.627","0.015","81.634","0.02","1056.9","0.4","293","","293","","","","","","","","","5","P -1","-P 1","2","","Complex 5","","- C42 H44 O8 Re2 W2 -","- C42 H42 O8 Re2 W2 -","- C42 H42 O8 Re2 W2 -","1","0.5","","Hsiao-Ling Wu; Guey-Lin Lu; Yun Chi; Louis J. Farrugia; Shie-Ming Peng; Gene-Hsiang Lee","Oxo Ligand Reactivity and Bonding in the Dinuclear W-Re Oxo-Acetylide Complex (η5-C5Me5)W(O)Re(CO)4(μ-H)(CCPh)","Inorganic Chemistry","1996","35","","6015","6020","10.1021/ic9601394","","","0.7107","MolybdenumKα","","0.057","0.032","","0.034","0.032","","","","","1.63","1.63","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323922","11.568","0.001","19.344","0.001","19.551","0.002","90","","90","","90","","4375","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H45 N11 O16 Rh2 -","- C34 H45 N11 O16 Rh2 -","- C136 H180 N44 O64 Rh8 -","4","1","","Michael P. Doyle; Qi-Lin Zhou; Conrad E. Raab; Gregory H. P. Roos; Stanley H. Simonsen; Vincent Lynch","Synthesis and Structures of (2,2-cis)-Dirhodium(II) Tetrakis[methyl 1-acyl-2-oxoimidazolidine-4(S)-carboxylates]. Chiral Catalysts for Highly Stereoselective Metal Carbene Transformations","Inorganic Chemistry","1996","35","","6064","6073","10.1021/ic960249a","","","0.71073","MoKα","","0.0853","0.0459","","0.079","0.0684","","","","1.005","1.053","1.053","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323923","9.959","0.001","20.1","0.001","11.678","0.001","90","","107.61","","90","","2228.1","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H48 N12 O16 Rh2 -","- C36 H45 N12 O16 Rh2 -","- C72 H90 N24 O32 Rh4 -","2","1","","Michael P. Doyle; Qi-Lin Zhou; Conrad E. Raab; Gregory H. P. Roos; Stanley H. Simonsen; Vincent Lynch","Synthesis and Structures of (2,2-cis)-Dirhodium(II) Tetrakis[methyl 1-acyl-2-oxoimidazolidine-4(S)-carboxylates]. Chiral Catalysts for Highly Stereoselective Metal Carbene Transformations","Inorganic Chemistry","1996","35","","6064","6073","10.1021/ic960249a","","","0.71073","MoKα","","0.0367","0.0306","","0.0768","0.074","","","","1.066","1.077","1.077","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323924","18.352","0.001","18.352","0.001","17.067","0.001","90","","90","","90","","5748.1","0.6","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C54 H53 N11 O16 Rh2 -","- C54 H50 N11 O16 Rh2 -","- C216 H200 N44 O64 Rh8 -","4","0.5","","Michael P. Doyle; Qi-Lin Zhou; Conrad E. Raab; Gregory H. P. Roos; Stanley H. Simonsen; Vincent Lynch","Synthesis and Structures of (2,2-cis)-Dirhodium(II) Tetrakis[methyl 1-acyl-2-oxoimidazolidine-4(S)-carboxylates]. Chiral Catalysts for Highly Stereoselective Metal Carbene Transformations","Inorganic Chemistry","1996","35","","6064","6073","10.1021/ic960249a","","","0.71073","MoKα","","0.0567","0.0373","","0.0902","0.082","","","","1.022","1.05","1.05","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323925","11.589","0.001","12.225","0.001","21.802","0.002","90","","94.429","0.008","90","","3079.6","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H66 N10 O16 Rh2 -","- C60 H66 N10 O16 Rh2 -","- C120 H132 N20 O32 Rh4 -","2","1","","Michael P. Doyle; Qi-Lin Zhou; Conrad E. Raab; Gregory H. P. Roos; Stanley H. Simonsen; Vincent Lynch","Synthesis and Structures of (2,2-cis)-Dirhodium(II) Tetrakis[methyl 1-acyl-2-oxoimidazolidine-4(S)-carboxylates]. Chiral Catalysts for Highly Stereoselective Metal Carbene Transformations","Inorganic Chemistry","1996","35","","6064","6073","10.1021/ic960249a","","","0.71073","MoKα","","0.0763","0.0455","","0.0772","0.069","","","","1.004","1.045","1.045","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323926","11.72","0.001","12.067","0.001","12.773","0.001","71.794","0.003","75.765","0.004","72.789","0.003","1615.5","0.2","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C57 H86 N10 O17 Rh2 -","- C57 H86 N10 O17 Rh2 -","- C57 H86 N10 O17 Rh2 -","1","1","","Michael P. Doyle; Qi-Lin Zhou; Conrad E. Raab; Gregory H. P. Roos; Stanley H. Simonsen; Vincent Lynch","Synthesis and Structures of (2,2-cis)-Dirhodium(II) Tetrakis[methyl 1-acyl-2-oxoimidazolidine-4(S)-carboxylates]. Chiral Catalysts for Highly Stereoselective Metal Carbene Transformations","Inorganic Chemistry","1996","35","","6064","6073","10.1021/ic960249a","","","0.71073","MoKα","","0.0286","0.0261","","0.0665","0.065","","","","1.046","1.048","1.048","","","","","has coordinates,has disorder","179342","2020-10-21","18:00:00",""
"4323927","15.002","0.003","16.034","0.003","16.251","0.003","90","","90","","90","","3909","1.3","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","[Fe((DMG)BPh2)2(PY)(NH3)].CH2Cl2","mono(ammine)mono(pyridine)bis(dimethylglyoximato(diphenylborato))iron(II)","","- C38 H43 B2 Cl2 Fe N6 O4 -","- C38.313 H41.058 B2 Cl2 Fe N5.687 O4.313 -","- C153.252 H164.232 B8 Cl8 Fe4 N22.748 O17.252 -","4","0.5","","Isak Vernik; Dennis V. Stynes","Stereochemistry of Boron-Functionalized (Dioximato)iron(II) Complexes. Control of Nonbonded Interactions on Soft Conformational Surfaces","Inorganic Chemistry","1996","35","","6210","6220","10.1021/ic9602761","","","0.71073","MoKα","","0.0885","0.0572","","0.1629","0.1409","","","","1.089","1.158","1.158","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323928","10.371","0.002","19.599","0.004","12.363","0.002","90","","109.56","0.03","90","","2367.9","0.9","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","[Fe((DMG)BPh2)2(TCNE)(PY)].2CH2Cl2","mono(pyridine)mono(tetracyanoethene)bis(dimethylglyoximato(diphenyborato) )iron(II)","","- C45 H41 B2 Cl4 Fe N9 O4 -","- C45 H41 B2 Cl4 Fe N9 O4 -","- C90 H82 B4 Cl8 Fe2 N18 O8 -","2","1","","Isak Vernik; Dennis V. Stynes","Stereochemistry of Boron-Functionalized (Dioximato)iron(II) Complexes. Control of Nonbonded Interactions on Soft Conformational Surfaces","Inorganic Chemistry","1996","35","","6210","6220","10.1021/ic9602761","","","0.71073","MoKα","","0.0669","0.0424","","0.0906","0.0839","","","","0.929","1.042","1.042","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323929","11.499","0.005","11.569","0.005","20.087","0.008","75.81","","87.99","","62.25","0.01","2283","1.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[Fe((DMG)BPh2)2(PMEPh2)(PY)]","mono(methyldiphenylphosphine)mono(pyridine)bis(dimethylglyoximato (diphenylborato))iron(II)","","- C50 H50 B2 Fe N5 O4 P -","- C50 H50 B2 Fe N5 O4 P -","- C100 H100 B4 Fe2 N10 O8 P2 -","2","1","","Isak Vernik; Dennis V. Stynes","Stereochemistry of Boron-Functionalized (Dioximato)iron(II) Complexes. Control of Nonbonded Interactions on Soft Conformational Surfaces","Inorganic Chemistry","1996","35","","6210","6220","10.1021/ic9602761","","","0.71073","MoKα","","0.1223","0.0729","","0.2252","0.1694","","","","1.107","1.122","1.122","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323930","19.694","0.004","11.762","0.002","17.264","0.003","90","","92.26","0.03","90","","3995.9","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Fe((DMG)BPh2)2(PY)2]","bis(pyridine)bis(dimethylglyoximato(diphenylborato))iron(II)","","- C42 H42 B2 Fe N6 O4 -","- C42 H42 B2 Fe N6 O4 -","- C168 H168 B8 Fe4 N24 O16 -","4","1","","Isak Vernik; Dennis V. Stynes","Stereochemistry of Boron-Functionalized (Dioximato)iron(II) Complexes. Control of Nonbonded Interactions on Soft Conformational Surfaces","Inorganic Chemistry","1996","35","","6210","6220","10.1021/ic9602761","","","0.71073","MoKα","","0.0983","0.0523","","0.1356","0.1102","","","","1.034","1.066","1.066","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323931","12.839","0.001","12.843","0.002","23.545","0.002","90","","90","","90","","3882.4","0.8","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","[Fe((DMG)BF2)2(4-t-BuPY)2].2CH2Cl2","bis(4-tertbutylpyridine)bis(dimethylglyoximato(difluoroborato))iron(II)","","- C28 H42 B2 Cl4 F4 Fe N6 O4 -","- C28 H42 B2 Cl4 F4 Fe N6 O4 -","- C112 H168 B8 Cl16 F16 Fe4 N24 O16 -","4","1","","Isak Vernik; Dennis V. Stynes","Stereochemistry of Boron-Functionalized (Dioximato)iron(II) Complexes. Control of Nonbonded Interactions on Soft Conformational Surfaces","Inorganic Chemistry","1996","35","","6210","6220","10.1021/ic9602761","","","0.71073","MoKα","","0.0848","0.0585","","0.1994","0.153","","","","0.98","1.052","1.052","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323932","8.641","0.001","8.95","0.004","14.277","0.002","106.06","","103.71","","97.38","","1008.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[Fe((DMG)BPh2)2(CH3CN)2].2CH3CN","bis(acetonitrile)bis(dimethylglyoximato(diphenylborato))iron(II)","","- C40 H38 B2 Fe N8 O4 -","- C40 H38 B2 Fe N8 O4 -","- C40 H38 B2 Fe N8 O4 -","1","0.5","","Isak Vernik; Dennis V. Stynes","Stereochemistry of Boron-Functionalized (Dioximato)iron(II) Complexes. Control of Nonbonded Interactions on Soft Conformational Surfaces","Inorganic Chemistry","1996","35","","6210","6220","10.1021/ic9602761","","","0.71073","MoKα","","0.1502","0.0788","","0.2607","0.1948","","","","1.053","1.049","1.049","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323933","8.944","0.002","11.348","0.002","19.864","0.004","90","","101.11","0.03","90","","1978.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Fe((DMG)BPh2)2(BuCN)2]","bis(butyronitrile)bis(dimethylglyoximato(diphenylborato))iron(II)","","- C40 H46 B2 Fe N6 O4 -","- C40 H46 B2 Fe N6 O4 -","- C80 H92 B4 Fe2 N12 O8 -","2","0.5","","Isak Vernik; Dennis V. Stynes","Stereochemistry of Boron-Functionalized (Dioximato)iron(II) Complexes. Control of Nonbonded Interactions on Soft Conformational Surfaces","Inorganic Chemistry","1996","35","","6210","6220","10.1021/ic9602761","","","0.71073","MoKα","","0.2033","0.0648","","0.1552","0.1209","","","","0.761","1.092","1.092","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323934","10.313","0.003","10.597","0.002","11.376","0.004","84.72","","67.78","","89.97","","1145.2","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[Fe((DMG)BPh2)2(i-pr-NH2)2].2CH2Cl2","bis(isopropylamine)bis(dimethylglyoximato(diphenylborato))iron(II)","","- C40 H54 B2 Cl4 Fe N6 O4 -","- C40 H54 B2 Cl4 Fe N6 O4 -","- C40 H54 B2 Cl4 Fe N6 O4 -","1","0.5","","Isak Vernik; Dennis V. Stynes","Stereochemistry of Boron-Functionalized (Dioximato)iron(II) Complexes. Control of Nonbonded Interactions on Soft Conformational Surfaces","Inorganic Chemistry","1996","35","","6210","6220","10.1021/ic9602761","","","0.71073","MoKα","","0.2126","0.0825","","0.2002","0.1438","","","","1.018","1.161","1.161","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323935","9.688","0.002","10.464","0.001","11.823","0.001","89.97","0.01","79.21","0.01","72.23","0.01","1119.1","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[Fe((DMG)BF2)2(i-pr-NH2)2]","bis(isopropylamine)bis(dimethylglyoximato(difluoroborato))iron(II)","","- C14 H30 B2 F4 Fe N6 O4 -","- C14 H30 B2 F4 Fe N6 O4 -","- C28 H60 B4 F8 Fe2 N12 O8 -","2","1","","Isak Vernik; Dennis V. Stynes","Stereochemistry of Boron-Functionalized (Dioximato)iron(II) Complexes. Control of Nonbonded Interactions on Soft Conformational Surfaces","Inorganic Chemistry","1996","35","","6210","6220","10.1021/ic9602761","","","0.71073","MoKα","","0.0494","0.0398","","0.1172","0.108","","","","1.063","1.072","1.072","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323936","10.318","0.006","10.674","0.012","11.57","0.011","88.76","0.1","70.31","0.06","89.66","0.09","1199","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[Fe((DMG)BPh2)2(PIP)2].2CH2Cl2","bis(piperidine)bis(dimethylglyoximato(diphenylborato))iron(II)","","- C44 H58 B2 Cl4 Fe N6 O4 -","- C44 H58 B2 Cl4 Fe N6 O4 -","- C44 H58 B2 Cl4 Fe N6 O4 -","1","0.5","","Isak Vernik; Dennis V. Stynes","Stereochemistry of Boron-Functionalized (Dioximato)iron(II) Complexes. Control of Nonbonded Interactions on Soft Conformational Surfaces","Inorganic Chemistry","1996","35","","6210","6220","10.1021/ic9602761","","","0.71073","MoKα","","0.2134","0.1265","","0.4461","0.3089","","","","0.995","1.235","1.235","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323937","8.531","0.001","11.974","0.002","12.067","0.001","90","","97.29","0.01","90","","1222.7","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Fe((DMG)BF2)2(PIP)2]","bis(piperidine)bis(dimethylglyoximato(difluoroborato))iron(II)","","- C18 H34 B2 F4 Fe N6 O4 -","- C18 H34 B2 F4 Fe N6 O4 -","- C36 H68 B4 F8 Fe2 N12 O8 -","2","0.5","","Isak Vernik; Dennis V. Stynes","Stereochemistry of Boron-Functionalized (Dioximato)iron(II) Complexes. Control of Nonbonded Interactions on Soft Conformational Surfaces","Inorganic Chemistry","1996","35","","6210","6220","10.1021/ic9602761","","","0.71073","MoKα","","0.0682","0.0426","","0.1185","0.1055","","","","1.023","1.049","1.049","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323938","7.811","0.002","8.045","0.002","11.748","0.002","76.53","0.03","73.1","0.03","63.04","0.03","625.1","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","[Et4N][Fe((DMG)BF2)2Cl2]","tetraethylammoniumdichlorobis(dimethylglyoximato(difluoroborato)ferate","","- C16 H32 B2 Cl2 F4 Fe N5 O4 -","- C16 H28 B2 Cl2 F4 Fe N5 O4 -","- C16 H28 B2 Cl2 F4 Fe N5 O4 -","1","0.5","","Isak Vernik; Dennis V. Stynes","Stereochemistry of Boron-Functionalized (Dioximato)iron(II) Complexes. Control of Nonbonded Interactions on Soft Conformational Surfaces","Inorganic Chemistry","1996","35","","6210","6220","10.1021/ic9602761","","","0.71073","MoKα","","0.0499","0.0437","","0.125","0.1196","","","","1.085","1.108","1.108","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323939","10.84","0.003","22.167","0.006","15.21","0.004","90","","95.91","0.02","90","","3635.4","1.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H50 Cl3 N O2 P Re -","- C34 Cl3 N O2 P Re -","- C136 Cl12 N4 O8 P4 Re4 -","4","1","","Cristina Bolzati; Francesco Tisato; Fiorenzo Refosco; Giuliano Bandoli; Alessandro Dolmella","Uncommon Anionic Dioxorhenium(V) and Neutral Monooxorhenium(V) Mixed-Ligand Complexes Containing Heterofunctionalized Phosphine Ligands: Syntheses and Structural Characterization","Inorganic Chemistry","1996","35","","6221","6229","10.1021/ic960404l","","","0.71073","MoKα","","0.074","0.0505","","0.248","0.1295","","","","0.895","0.994","0.994","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323940","12.679","0.007","13.082","0.007","19.649","0.008","82.64","0.04","81.16","0.04","62.27","0.03","2845","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C62.5 H52.5 As O5 P2 Re -","- C62.5 As O5 P2 Re -","- C125 As2 O10 P4 Re2 -","2","1","","Cristina Bolzati; Francesco Tisato; Fiorenzo Refosco; Giuliano Bandoli; Alessandro Dolmella","Uncommon Anionic Dioxorhenium(V) and Neutral Monooxorhenium(V) Mixed-Ligand Complexes Containing Heterofunctionalized Phosphine Ligands: Syntheses and Structural Characterization","Inorganic Chemistry","1996","35","","6221","6229","10.1021/ic960404l","","","0.71073","MoKα","","0.0969","0.0634","","0.1709","0.1534","","","","0.969","1.077","1.077","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323941","10.225","0.004","14.208","0.006","21.771","0.009","90","","90","","90","","3163","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H28 Cl O3 P2 Re -","- C36 Cl O3 P2 Re -","- C144 Cl4 O12 P8 Re4 -","4","1","","Cristina Bolzati; Francesco Tisato; Fiorenzo Refosco; Giuliano Bandoli; Alessandro Dolmella","Uncommon Anionic Dioxorhenium(V) and Neutral Monooxorhenium(V) Mixed-Ligand Complexes Containing Heterofunctionalized Phosphine Ligands: Syntheses and Structural Characterization","Inorganic Chemistry","1996","35","","6221","6229","10.1021/ic960404l","","","0.71073","MoKα","","0.0668","0.0435","","0.0915","0.0839","","","","0.862","0.949","0.949","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323942","10.199","0.002","14.147","0.004","21.772","0.006","90","","90","","90","","3141.4","1.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H29 Cl N O2 P2 Re -","- C36 Cl N O2 P2 Re -","- C144 Cl4 N4 O8 P8 Re4 -","4","1","","Cristina Bolzati; Francesco Tisato; Fiorenzo Refosco; Giuliano Bandoli; Alessandro Dolmella","Uncommon Anionic Dioxorhenium(V) and Neutral Monooxorhenium(V) Mixed-Ligand Complexes Containing Heterofunctionalized Phosphine Ligands: Syntheses and Structural Characterization","Inorganic Chemistry","1996","35","","6221","6229","10.1021/ic960404l","","","0.71073","MoKα","","0.0467","0.0391","","0.3335","0.1039","","","","0.832","0.858","0.858","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323943","8.9336","0.0006","16.3469","0.0015","17.875","0.002","90","","102.54","0.007","90","","2548.1","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 As N3 -","- C27 H36 As N3 -","- C108 H144 As4 N12 -","4","1","","Smuruthi Kamepalli; Claire J. Carmalt; Robert D. Culp; Alan H. Cowley; Richard A. Jones; Nicholas C. Norman","Synthesis and Structures of Intramolecularly Base-Coordinated Aryl Group 15 Compounds","Inorganic Chemistry","1996","35","","6179","6183","10.1021/ic960516c","","","0.71073","MoKα","","0.1223","0.0579","","0.1233","0.0951","","","","1.019","1.078","1.078","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4323944","9.288","0.002","18.356","0.004","15.566","0.002","90","","90.278","0.015","90","","2653.8","0.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H36 N3 Sb -","- C27 H36 N3 Sb -","- C108 H144 N12 Sb4 -","4","2","","Smuruthi Kamepalli; Claire J. Carmalt; Robert D. Culp; Alan H. Cowley; Richard A. Jones; Nicholas C. Norman","Synthesis and Structures of Intramolecularly Base-Coordinated Aryl Group 15 Compounds","Inorganic Chemistry","1996","35","","6179","6183","10.1021/ic960516c","","","0.71073","MoKα","","0.1237","0.052","","0.1247","0.0906","","","","1.033","1.141","1.141","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323945","9.2996","0.0012","18.445","0.003","15.601","0.002","90","","90.076","0.011","90","","2676.1","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H36 Bi N3 -","- C27 H36 Bi N3 -","- C108 H144 Bi4 N12 -","4","2","","Smuruthi Kamepalli; Claire J. Carmalt; Robert D. Culp; Alan H. Cowley; Richard A. Jones; Nicholas C. Norman","Synthesis and Structures of Intramolecularly Base-Coordinated Aryl Group 15 Compounds","Inorganic Chemistry","1996","35","","6179","6183","10.1021/ic960516c","","","0.71073","MoKα","","0.1492","0.0783","","0.2132","0.1716","","","","1.081","1.209","1.209","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323946","9.5744","0.0012","16.273","0.002","18.884","0.003","90","","100.708","0.011","90","","2891","0.7","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 As N3 -","- C36 H36 As N3 -","- C144 H144 As4 N12 -","4","1","","Smuruthi Kamepalli; Claire J. Carmalt; Robert D. Culp; Alan H. Cowley; Richard A. Jones; Nicholas C. Norman","Synthesis and Structures of Intramolecularly Base-Coordinated Aryl Group 15 Compounds","Inorganic Chemistry","1996","35","","6179","6183","10.1021/ic960516c","","","0.71073","MoKα","","0.1038","0.0495","","0.0982","0.0815","","","","1.004","1.068","1.068","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4323947","17.341","0.006","18.39","0.006","11.308","0.005","90","","98.37","0.03","90","","3568","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H31 Cl2 N O2 P2 Ti -","- C36 H31 Cl2 N O2 P2 Ti -","- C144 H124 Cl8 N4 O8 P8 Ti4 -","4","1","","Peggy J. McKarns; Glenn P. A. Yap; Arnold L. Rheingold; Charles H. Winter","Synthesis, Structure, and Characterization of the Hydrogen-Substituted Imido Complex TiCl2(NH)(OPPh3)2","Inorganic Chemistry","1996","35","","5968","5969","10.1021/ic960595s","","","0.71073","MoKα","","0.1543","0.085","","0.1134","0.0936","","","","1.7","1.7","1.7","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323948","10.533","0.005","13.171","0.004","17.059","0.006","90","","90","","90","","2366.6","1.6","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[Fe((DMG)BF2)2(PY)2]","bis(pyridine)bis(dimethylglyoximato(difluoroborato))iron(II)","","- C18 H22 B2 F4 Fe N6 O4 -","- C18 H22 B2 F4 Fe N6 O4 -","- C72 H88 B8 F16 Fe4 N24 O16 -","4","1","","Isak Vernik; Dennis V. Stynes","Stereochemistry of Boron-Functionalized (Dioximato)iron(II) Complexes. Control of Nonbonded Interactions on Soft Conformational Surfaces","Inorganic Chemistry","1996","35","","6210","6220","10.1021/ic9602761","","","0.71073","MoKα","","0.1126","0.0558","","0.1009","0.0827","","","","1.063","1.131","1.131","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323949","8.998","0.002","10.007","0.002","11.588","0.002","101.38","0.02","93.71","0.02","90.97","0.02","1020.3","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 O6 Se3 W2 -","- C16 H10 O6 Se3 W2 -","- C32 H20 O12 Se6 W4 -","2","1","","Peter G. Jones; Carsten Thöne","Organometallic Selenolates. 3.1Oxidation of (Cyclopentadienyl)tungsten Selenolates and Crystal Structure of [(cp)W(CO)~3~]~2~Se~3~","Inorganic Chemistry","1996","35","","6625","6626","10.1021/ic951394b","","","0.71073","MoKα","","0.0596","0.0381","","0.0903","0.0851","","","","0.967","1.085","1.085","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323950","7.596","0.002","12.694","0.003","16.962","0.003","104.28","0.03","102.73","0.03","104.43","0.03","1464.2","0.7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C57 H40 Cl4 F10 N2 O2 P2 Pt -","- C57 H40 Cl4 F10 N2 O2 P2 Pt -","- C57 H40 Cl4 F10 N2 O2 P2 Pt -","1","0.5","","José Vicente; María Teresa Chicote; Michael A. Beswick; M. Carmen Ramirez de Arellano","Platinum-Assisted Addition of Carbonyl-Stabilized Phosphorus Ylides to Pentafluorobenzonitrile and Acetonitrile To Give Platinum(II) Complexes Containing Iminophosphorane and/or N-Bonded β-Imino Phosphorus Ylide Ligands. Crystal and Molecular Structures of trans-[PtCl2{E-NHC(C6F5)C(PPh3)C(O)Me}2] and trans-[PtCl2{E-N(PPh3)C(C6F5)CHCO2Et}{E-NHC(C6F5)C(PPh3)CO2Et}]","Inorganic Chemistry","1996","35","","6592","6598","10.1021/ic951666a","","","0.71073","MoKα","","0.0421","0.0412","","0.1184","0.1173","","","","1.084","1.084","1.084","","","","","has coordinates,has disorder","179342","2020-10-21","18:00:00",""
"4323951","16.4","0.008","14.354","0.007","23.221","0.012","90","","92.42","0.02","90","","5461","5","153","2","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58 H42 Cl2 F10 N2 O4 P2 Pt -","- C58 H42 Cl2 F10 N2 O4 P2 Pt -","- C232 H168 Cl8 F40 N8 O16 P8 Pt4 -","4","1","","José Vicente; María Teresa Chicote; Michael A. Beswick; M. Carmen Ramirez de Arellano","Platinum-Assisted Addition of Carbonyl-Stabilized Phosphorus Ylides to Pentafluorobenzonitrile and Acetonitrile To Give Platinum(II) Complexes Containing Iminophosphorane and/or N-Bonded β-Imino Phosphorus Ylide Ligands. Crystal and Molecular Structures of trans-[PtCl2{E-NHC(C6F5)C(PPh3)C(O)Me}2] and trans-[PtCl2{E-N(PPh3)C(C6F5)CHCO2Et}{E-NHC(C6F5)C(PPh3)CO2Et}]","Inorganic Chemistry","1996","35","","6592","6598","10.1021/ic951666a","","","0.71073","MoKα","","0.0399","0.0246","","0.1493","0.0557","","","","1.066","1.06","1.06","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323952","16.474","","8.899","","17.058","","90","","110.409","","90","","2343.76","","293","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H31 B N6 O P Rh -","- C19 H31 B N6 O P Rh -","- C76 H124 B4 N24 O4 P4 Rh4 -","4","1","","V. Chauby; C. Serra Le Berre; Ph. Kalck; J.-C. Daran; G. Commenges","η2-Bonded Hydrotris(3,5-dimethylpyrazolyl)borate in [Rh(HB(Me2pz)3)(CO)(PMe3)]. X-ray Crystal Structure and Dynamic Exchange in Solution","Inorganic Chemistry","1996","35","","6354","6355","10.1021/ic9602198","","","0.71069","MoKα","","","0.0276","","","0.0293","","","","","1.7708","1.7708","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4323953","8.865","0.001","22.803","0.002","19.711","0.001","90","","93.46","0.01","90","","3977.3","0.6","293","2","293","2","","","","","","","Methanol/Methylenchloride","6","P 1 21/n 1","-P 2yn","14","","Hydrotris-(3-cumyl-5-methyl-pyrazol-1-yl)-borato-zink-hydroxid","","- C40 H51 B N6 O2 Zn -","- C40 H51 B N6 O2 Zn -","- C160 H204 B4 N24 O8 Zn4 -","4","1","","Michael Ruf; Heinrich Vahrenkamp","Small Molecule Chemistry of the Pyrazolylborate-Zinc Unit TpCum,MeZn","Inorganic Chemistry","1996","35","","6571","6578","10.1021/ic960335a","","","0.71073","MoKα","","0.1785","0.0618","","0.2046","0.14","","","","1.068","1.064","1.064","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323954","11.704","0.001","13.407","0.001","13.983","0.004","74.83","0.01","86.12","0.01","70.5","0.01","1995.8","0.6","293","2","293","2","","","","","","","Acetonitrile","6","P -1","-P 1","2","","Hydrotris-(3-cumyl-5-methyl-pyrazol-1-yl)-borato-zink-hydrogensylfid","","- C39 H47 B N6 S Zn -","- C39 H47 B N6 S Zn -","- C78 H94 B2 N12 S2 Zn2 -","2","1","","Michael Ruf; Heinrich Vahrenkamp","Small Molecule Chemistry of the Pyrazolylborate-Zinc Unit TpCum,MeZn","Inorganic Chemistry","1996","35","","6571","6578","10.1021/ic960335a","","","0.71069","MoKα","","0.2324","0.0704","","0.22","0.1392","","","","1.093","1.132","1.132","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323955","12.297","0.002","13.991","0.002","14.617","0.002","72.36","0.01","65.31","0.01","81.33","0.01","2176.6","0.6","293","2","293","2","","","","","","","Benzene","6","P -1","-P 1","2","","Hydrobis(3-cumyl-5-methyl-pyrazol-1-yl)-(5-cumyl-3-methyl-pyrazol-1-yl)borato- zink-hydrogensulfid","","- C45 H53 B N6 S Zn -","- C45 H53 B N6 S Zn -","- C90 H106 B2 N12 S2 Zn2 -","2","1","","Michael Ruf; Heinrich Vahrenkamp","Small Molecule Chemistry of the Pyrazolylborate-Zinc Unit TpCum,MeZn","Inorganic Chemistry","1996","35","","6571","6578","10.1021/ic960335a","","","0.71073","MoKα","","0.272","0.0685","","0.1979","0.1238","","","","1.11","1.126","1.126","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323956","23.293","0.014","13.369","0.003","26.745","0.008","90","","104.61","0.04","90","","8059","6","293","2","293","2","","","","","","","Methanol","6","C 1 2/c 1","-C 2yc","15","","Bis[Hydrobis(3-cumyl-5-methyl-pyrazol-1-yl)-(5-cumyl-3-methyl-pyrazol-1-yl) borato-zink]-oxid","","- C79 H98 B2 N12 O3 Zn2 -","- C80 H92 B2 N12 O4 Zn2 -","- C320 H368 B8 N48 O16 Zn8 -","4","0.5","","Michael Ruf; Heinrich Vahrenkamp","Small Molecule Chemistry of the Pyrazolylborate-Zinc Unit TpCum,MeZn","Inorganic Chemistry","1996","35","","6571","6578","10.1021/ic960335a","","","0.71073","MoKα","","0.2018","0.079","","0.3688","0.2019","","","","1.098","1.081","1.081","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323957","21.114","0.002","15.378","0.001","23.424","0.002","90","","105.23","0.01","90","","7338.4","1.1","293","2","293","2","","","","","","","Benzene","6","P 1 21/n 1","-P 2yn","14","","Bis[Hydro-tris(3-cumyl-5-methyl-pyrazol-1-yl)-borato-zink]-sulfid","","- C78 H92 B2 N12 S Zn2 -","- C78 H92 B2 N12 S Zn2 -","- C312 H368 B8 N48 S4 Zn8 -","4","1","","Michael Ruf; Heinrich Vahrenkamp","Small Molecule Chemistry of the Pyrazolylborate-Zinc Unit TpCum,MeZn","Inorganic Chemistry","1996","35","","6571","6578","10.1021/ic960335a","","","0.71073","MoKα","","0.2264","0.0548","","0.1733","0.1076","","","","1.073","1.079","1.079","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323958","8.794","0.005","22.329","0.007","20.001","0.008","90","","93.44","0.04","90","","3920","3","293","2","293","2","","","","","","","Methanol","6","P 1 21/n 1","-P 2yn","14","","Hydro-tris(3-cumyl-5-methyl-pyrazol-1-yl)-borato-zink-methylcarbonat","","- C41 H49 B N6 O3 Zn -","- C41 H49 B N6 O3 Zn -","- C164 H196 B4 N24 O12 Zn4 -","4","1","","Michael Ruf; Heinrich Vahrenkamp","Small Molecule Chemistry of the Pyrazolylborate-Zinc Unit TpCum,MeZn","Inorganic Chemistry","1996","35","","6571","6578","10.1021/ic960335a","","","0.71073","MoKα","","0.048","0.048","","0.1189","0.1188","","","","1.123","1.123","1.123","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323959","9.42","0.002","22.423","0.004","20.144","0.004","90","","92.9","0.03","90","","4249.5","1.5","293","2","293","2","","","","","","","Ethanol/Dichlormethane","7","P 1 21/n 1","-P 2yn","14","","Hydrotris(3-cumyl-5-methyl-pyrazol-1-yl) borato-zink-ethylxanthogenat","","- C42 H51 B N6 O S2 Zn -","- C42 H51 B N6 O S2 Zn -","- C168 H204 B4 N24 O4 S8 Zn4 -","4","1","","Michael Ruf; Heinrich Vahrenkamp","Small Molecule Chemistry of the Pyrazolylborate-Zinc Unit TpCum,MeZn","Inorganic Chemistry","1996","35","","6571","6578","10.1021/ic960335a","","","0.71073","MoKα","","0.1034","0.0409","","0.1216","0.0925","","","","1.108","1.075","1.075","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323960","21.212","0.004","13.996","0.002","17.789","0.003","90","","112.79","0.013","90","","4869","1.5","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51.75 H42.5 N O4 P2 Pt S2 cl1.5 -","- C51 H41 N O4 P2 Pt S2 -","- C204 H164 N4 O16 P8 Pt4 S8 -","4","1","","Alan Shaver; Hélène Boily; Anne-Marie Lebuis","Modeling the Claus Reaction: Preparation of trans-Pt(PPh3)2(phthalimido)S(O)2SR","Inorganic Chemistry","1996","35","","6356","6357","10.1021/ic960617a","","","0.7093","Molybdemunkα","","0.1333","0.0629","","0.1281","0.1075","","","","0.887","1.07","1.07","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323961","29.187","0.006","20.008","0.004","13.274","0.003","90","","90.82","0.02","90","","7751","3","423","2","423","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C60 H84 Li6 N6 S6 -","- C60 H84 Li6 N6 S6 -","- C240 H336 Li24 N24 S24 -","4","1","","Maurits D. Janssen; Evelien Rijnberg; Corine A. de Wolf; Marinus P. Hogerheide; Dennis Kruis; Huub Kooijman; Anthony L. Spek; David M. Grove; Gerard van Koten","Structural Aspects of Lithium Arenethiolate Complexes with Intramolecular Coordinating Amine Donors","Inorganic Chemistry","1996","35","","6735","6741","10.1021/ic960075x","","","0.71073","MoKa","","0.1923","0.093","","0.2356","0.198","","","","0.772","1.144","1.144","","","","","has coordinates","269108","2021-09-13","08:22:43",""
"4323962","17.577","0.002","18.532","0.002","31.285","0.003","90","","105.433","0.01","90","","9823.2","1.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H57 Li3 N6 S3 -","- C36 H57 Li3 N6 S3 -","- C288 H456 Li24 N48 S24 -","8","1","","Maurits D. Janssen; Evelien Rijnberg; Corine A. de Wolf; Marinus P. Hogerheide; Dennis Kruis; Huub Kooijman; Anthony L. Spek; David M. Grove; Gerard van Koten","Structural Aspects of Lithium Arenethiolate Complexes with Intramolecular Coordinating Amine Donors","Inorganic Chemistry","1996","35","","6735","6741","10.1021/ic960075x","","","0.71073","MoKa","","0.2856","0.1119","","0.2843","0.2299","","","","0.79","1.348","1.348","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323963","17.7963","0.0009","8.1281","0.0007","17.134","0.001","90","","108.288","0.005","90","","2353.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Li2 N2 O2 S2 -","- C22 H32 Li2 N2 O2 S2 -","- C88 H128 Li8 N8 O8 S8 -","4","1","","Maurits D. Janssen; Evelien Rijnberg; Corine A. de Wolf; Marinus P. Hogerheide; Dennis Kruis; Huub Kooijman; Anthony L. Spek; David M. Grove; Gerard van Koten","Structural Aspects of Lithium Arenethiolate Complexes with Intramolecular Coordinating Amine Donors","Inorganic Chemistry","1996","35","","6735","6741","10.1021/ic960075x","","","0.71073","MoKa","","0.0658","0.0471","","0.1381","0.1288","","","","1.061","1.15","1.15","","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4323964","13.0346","0.001","11.523","0.003","16.127","0.003","90","","94.682","0.01","90","","2414.2","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H35 I Li2 N2 O2 S -","- C20 H35 I Li2 N2 O2 S -","- C80 H140 I4 Li8 N8 O8 S4 -","4","1","","Maurits D. Janssen; Evelien Rijnberg; Corine A. de Wolf; Marinus P. Hogerheide; Dennis Kruis; Huub Kooijman; Anthony L. Spek; David M. Grove; Gerard van Koten","Structural Aspects of Lithium Arenethiolate Complexes with Intramolecular Coordinating Amine Donors","Inorganic Chemistry","1996","35","","6735","6741","10.1021/ic960075x","","","0.71073","MoKa","","0.0657","0.0594","","0.1703","0.1647","","","","1.028","1.055","1.055","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323965","16.754","0.002","14.395","0.002","17.89","0.003","90","","110.38","0.01","90","","4044.5","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H28 Cl2 N4 Si Ti -","- C13 H28 Cl2 N4 Si Ti -","- C104 H224 Cl16 N32 Si8 Ti8 -","8","2","","Hans Fuhrmann; Simon Brenner; Perdita Arndt; Rhett Kempe","Octahedral Group 4 Metal Complexes That Contain Amine, Amido, and Aminopyridinato Ligands: Synthesis, Structure, and Application in α-Olefin Oligo- and Polymerization","Inorganic Chemistry","1996","35","","6742","6745","10.1021/ic960182r","","","0.71069","MoKα","","0.0848","0.0414","","0.1131","0.0991","","","","0.885","1.022","1.022","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323966","10.125","0.001","16.331","0.001","15.276","0.002","90","","93.9","0.01","90","","2520.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H36 Cl2 N4 Si Zr -","- C17 H36 Cl2 N4 Si Zr -","- C68 H144 Cl8 N16 Si4 Zr4 -","4","1","","Hans Fuhrmann; Simon Brenner; Perdita Arndt; Rhett Kempe","Octahedral Group 4 Metal Complexes That Contain Amine, Amido, and Aminopyridinato Ligands: Synthesis, Structure, and Application in α-Olefin Oligo- and Polymerization","Inorganic Chemistry","1996","35","","6742","6745","10.1021/ic960182r","","","0.71069","MoKα","","0.0752","0.0536","","0.157","0.1473","","","","0.998","1.129","1.129","","","","","has coordinates,has disorder","179342","2020-10-21","18:00:00",""
"4323967","11.111","0.001","10.964","0.001","13.128","0.001","90","","92.324","0.006","90","","1598","0.2","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Ag N3 O6 -","- C16 H14 Ag N3 O6 -","- C64 H56 Ag4 N12 O24 -","4","1","","Chris M. Hartshorn; Peter J. Steel","Self-Assembly and X-ray Structure of a Dimetalloparacyclophane Incorporating a π-π Stacked Subunit","Inorganic Chemistry","1996","35","","6902","6903","10.1021/ic960425f","","","0.71073","MoKa","","0.0323","0.0257","","0.0632","0.0619","","","","0.94","1.023","1.023","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323968","17.556","0.003","14.988","0.003","25.699","0.007","90","","93.98","0.07","90","","6746","3","293","","293","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C62 Cl3 F3 N2 O4 P4 Re2 S -","- C65 H59 Cl3 F3 N3 O4 P4 Re2 S -","- C260 H236 Cl12 F12 N12 O16 P16 Re8 S4 -","4","1","","Wengan Wu; J. Anand Subramony; Phillip E. Fanwick; Richard A. Walton","Reactions of the Dirhenium(II) Complexes Re~2~X~4~(μ-dppm)~2~ (X = Cl, Br; dppm = Ph~2~PCH~2~PPh~2~) with Isocyanides. 11.1 A Triply Bonded Dirhenium Complex Containing a Labile Acetonitrile Ligand. Synthesis, Structural Characterization, and Reactivity of [(XylNC)(CH~3~CN)ClRe(μ-dppm)~2~ReCl~2~(CO)]O~3~SCF~3~","Inorganic Chemistry","1996","35","","6784","6788","10.1021/ic9604831","","","0.71073","Mo-Kα","","0.136","0.041","","","0.049","","","","","0.341","0.341","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323969","11.842","0.003","11.891","0.002","16.486","0.004","72.62","0.02","79.17","0.02","68.14","0.02","2048.4","0.9","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H52 Cu F6 P5 -","- C36 H52 Cu F6 P5 -","- C72 H104 Cu2 F12 P10 -","2","1","","Igor V. Kourkine; Stanislav V. Maslennikov; Robert Ditchfield; David S. Glueck; Glenn P. A. Yap; Louise M. Liable-Sands; Arnold L. Rheingold","Metal Complexes of Mesitylphosphine: Synthesis, Structure, and Spectroscopy","Inorganic Chemistry","1996","35","","6708","6716","10.1021/ic960529q","","","0.71073","MoKα","","0.0967","0.0594","","0.1211","0.0759","","","","1.96","1.68","1.68","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323970","18.584","0.004","11.506","0.002","18.965","0.004","90","","115.84","0.05","90","","3650","2","293","2","252","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Ni P4 -","- C36 H44 Ni P4 -","- C144 H176 Ni4 P16 -","4","1","","Igor V. Kourkine; Stanislav V. Maslennikov; Robert Ditchfield; David S. Glueck; Glenn P. A. Yap; Louise M. Liable-Sands; Arnold L. Rheingold","Metal Complexes of Mesitylphosphine: Synthesis, Structure, and Spectroscopy","Inorganic Chemistry","1996","35","","6708","6716","10.1021/ic960529q","","","0.71073","MoKα","","0.1489","0.09","","0.2671","0.1064","","","","1.97","1.56","1.56","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323971","19.78","0.003","13.853","0.002","18.743","0.004","90","","90.2","0.01","90","","5135.8","1.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H50 Cu F6 P5 -","- C52 H50 Cu F6 P5 -","- C208 H200 Cu4 F24 P20 -","4","1","","Igor V. Kourkine; Stanislav V. Maslennikov; Robert Ditchfield; David S. Glueck; Glenn P. A. Yap; Louise M. Liable-Sands; Arnold L. Rheingold","Metal Complexes of Mesitylphosphine: Synthesis, Structure, and Spectroscopy","Inorganic Chemistry","1996","35","","6708","6716","10.1021/ic960529q","","","0.71073","MoKα","","0.1861","0.0894","","0.1854","0.1496","","","","1.294","1.614","1.614","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323972","9.587","0.001","11.528","0.001","22.194","0.002","102.315","0.007","90.921","0.009","114.15","0.01","2171.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H52 Ni P4 -","- C50 H52 Ni P4 -","- C100 H104 Ni2 P8 -","2","1","","Igor V. Kourkine; Stanislav V. Maslennikov; Robert Ditchfield; David S. Glueck; Glenn P. A. Yap; Louise M. Liable-Sands; Arnold L. Rheingold","Metal Complexes of Mesitylphosphine: Synthesis, Structure, and Spectroscopy","Inorganic Chemistry","1996","35","","6708","6716","10.1021/ic960529q","","","0.71073","MoKα","","0.0558","0.0414","","0.1121","0.1075","","","","1.204","1.318","1.318","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323973","14.228","0.003","18.386","0.004","13.085","0.002","90","","90","","90","","3423","1.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 Cl4 Fe2 N7 O2 -","- C27 H28 Cl4 Fe2 N7 O5 -","- C108 H112 Cl16 Fe8 N28 O20 -","4","1","","Jianping Wang; Mark S. Mashuta; Ziming Sun; John F. Richardson; David N. Hendrickson; Robert M. Buchanan","Syntheses, Crystal Structures, and Properties of Unsymmetrical (μ-Oxo)diiron(III) Complexes Containing Polyimidazole Ligands","Inorganic Chemistry","1996","35","","6642","6643","10.1021/ic9607494","","","0.7107","MoKα","","","0.049","","","0.056","","","","","2.67","2.67","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323974","21.581","0.006","24.03","0.007","10.137","0.003","90","","90","","90","","5257","3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H57 Cl3 Fe2 N14 O15 -","- C38 H57 Cl3 Fe2 N14 O15 -","- C152 H228 Cl12 Fe8 N56 O60 -","4","1","","Jianping Wang; Mark S. Mashuta; Ziming Sun; John F. Richardson; David N. Hendrickson; Robert M. Buchanan","Syntheses, Crystal Structures, and Properties of Unsymmetrical (μ-Oxo)diiron(III) Complexes Containing Polyimidazole Ligands","Inorganic Chemistry","1996","35","","6642","6643","10.1021/ic9607494","","","0.7107","MoKα","","","0.057","","","0.06","","","","","1.792","1.792","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323975","7.7515","0.0005","7.7515","0.0005","3.6262","0.0006","90","","90","","120","","188.69","0.04","293","2","293","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Fe Te2 Zr6 -","- Fe Te2 Zr6 -","- Fe Te2 Zr6 -","1","0.0833333","","Chwanchin Wang; Timothy Hughbanks","New Zr6MTe2 (M = Mn, Fe, Co, Ni, Ru, Pt), Zr6Fe0.6Se2.4, and Zr6Fe0.57S2.43 Intermetallics: Structural Links between Binary (Zr,Hf)3M Alloys and Porous Metal-Rich Tellurides","Inorganic Chemistry","1996","35","","6987","6994","10.1021/ic960610t","","","0.71073","MoKα","","0.0237","0.0218","","0.057","0.0565","","","","1.257","1.271","1.271","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323976","12.737","0.002","15.78","0.002","3.5809","0.0006","90","","90","","90","","719.72","0.19","293","2","293","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Fe0.6 Se2.4 Zr6 -","- Fe0.61 Se2.39 Zr6 -","- Fe2.44 Se9.56 Zr24 -","4","0.5","","Chwanchin Wang; Timothy Hughbanks","New Zr6MTe2 (M = Mn, Fe, Co, Ni, Ru, Pt), Zr6Fe0.6Se2.4, and Zr6Fe0.57S2.43 Intermetallics: Structural Links between Binary (Zr,Hf)3M Alloys and Porous Metal-Rich Tellurides","Inorganic Chemistry","1996","35","","6987","6994","10.1021/ic960610t","","","0.71073","MoKα","","0.0572","0.0377","","0.0782","0.0716","","","","1.086","1.143","1.143","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323977","12.519","0.004","15.436","0.002","3.4966","0.0006","90","","90","","90","","675.7","0.3","293","2","293","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Fe0.57 S2.43 Zr6 -","- Fe0.57 S2.43 Zr6 -","- Fe2.28 S9.72 Zr24 -","4","0.5","","Chwanchin Wang; Timothy Hughbanks","New Zr6MTe2 (M = Mn, Fe, Co, Ni, Ru, Pt), Zr6Fe0.6Se2.4, and Zr6Fe0.57S2.43 Intermetallics: Structural Links between Binary (Zr,Hf)3M Alloys and Porous Metal-Rich Tellurides","Inorganic Chemistry","1996","35","","6987","6994","10.1021/ic960610t","","","0.71073","MoKα","","0.1004","0.0523","","0.1236","0.1039","","","","1.075","1.139","1.139","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323978","13.351","0.0013","4.41","0.0005","24.449","0.003","90","","90","","90","","1439.5","0.3","223","2","223","2","","","","","","","Rxn. of BaO, La, Sb, Sn at 900 C","3","P n m a","-P 2ac 2n","62","Barium tin antimonide","Dibarium hexaantimonidotristannate","","- Ba2 Sb6 Sn3 -","- Ba2 Sb6 Sn3 -","- Ba8 Sb24 Sn12 -","4","0.5","","Robert Lam; Arthur Mar","Synthesis and Structure of Ba2Sn3Sb6, a Zintl Phase Containing Channels and Chains","Inorganic Chemistry","1996","35","","6959","6963","10.1021/ic960716o","","","0.71073","MoKα","","0.0986","0.0562","","0.105","0.0903","","","","1.015","1.084","1.084","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323979","6.405","0.001","8.2384","0.001","18.955","0.004","90","","96.93","0.03","90","","992.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Co5BP3O14","","- B Co5 O14 P3 -","- B Co5 O14 P3 -","- B4 Co20 O56 P12 -","4","1","","Ranko P. Bontchev; Slavi C. Sevov","Co5BP3O14: The First Borophosphate with Planar BO3 Groups Connected to PO4 Tetrahedra","Inorganic Chemistry","1996","35","","6910","6911","10.1021/ic960808d","","","0.71073","MoKα","","0.0575","0.0384","","0.0779","0.0688","","","","1.123","1.132","1.132","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323980","11.708","0.024","15.779","0.031","12.156","0.023","90","","116.69","0.14","90","","2006","7","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C27 H63 Cd I O9 Ti2 -","- C27 Cd I O9 Ti2 -","- C54 Cd2 I2 O18 Ti4 -","2","0.5","","Michael Veith; Sanjay Mathur; Volker Huch","Synthesis and Spectroscopic Characterization of Novel Heterotermetallic Isopropoxides: X-ray Crystal Structures of ICd{M2(OPri)9} and [{Cd(OPri)3}Ba{M2(OPri)9}]2 (M = Ti, Hf)","Inorganic Chemistry","1996","35","","7295","7303","10.1021/ic960116p","","","0.71073","MoKα","","0.0616","0.0514","","0.149","0.1392","","","","1.249","1.302","1.302","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323981","9.825","0.002","11.428","0.002","20.619","0.003","95.619","0.012","99.915","0.011","111.347","0.011","2091.3","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H63 Cd Hf2 I O9 -","- C29 Cd Hf2 I O7 -","- C58 Cd2 Hf4 I2 O14 -","2","1","","Michael Veith; Sanjay Mathur; Volker Huch","Synthesis and Spectroscopic Characterization of Novel Heterotermetallic Isopropoxides: X-ray Crystal Structures of ICd{M2(OPri)9} and [{Cd(OPri)3}Ba{M2(OPri)9}]2 (M = Ti, Hf)","Inorganic Chemistry","1996","35","","7295","7303","10.1021/ic960116p","","","0.71073","MoKα","","0.0605","0.0531","","0.1445","0.138","","","","1.261","1.316","1.316","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323982","22.677","0.02","12.603","0.011","18.996","0.02","90","","96.83","0.08","90","","5390","9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C79 H176 Ba2 Cd2 O24 Ti4 -","- C78 Ba2 Cd2 O24 Ti4 -","- C156 Ba4 Cd4 O48 Ti8 -","2","0.5","","Michael Veith; Sanjay Mathur; Volker Huch","Synthesis and Spectroscopic Characterization of Novel Heterotermetallic Isopropoxides: X-ray Crystal Structures of ICd{M2(OPri)9} and [{Cd(OPri)3}Ba{M2(OPri)9}]2 (M = Ti, Hf)","Inorganic Chemistry","1996","35","","7295","7303","10.1021/ic960116p","","","0.71073","MoKα","","0.1113","0.088","","0.2216","0.2069","","","","1.28","1.416","1.416","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323983","10.399","0.0007","16.491","0.002","17.654","0.002","90","0.007","91.542","0.006","90","0.007","3026.4","0.5","293","2","293","2","","","","","","","reaction of (Ph4P)4[Zr6Cl18H5] with py","6","P 1 21/c 1","-P 2ybc","14","","(tetraphenylphosphnium)[pentachloro-pyridine-zirconium]","","- C29 H25 Cl5 N P Zr -","- C29 H25 Cl5 N P Zr -","- C116 H100 Cl20 N4 P4 Zr4 -","4","1","","Linfeng Chen; F. Albert Cotton","Synthesis, Structure, and Reactivity of [Zr6Cl18H5]2-, the First Paramagnetic Species of Its Class","Inorganic Chemistry","1996","35","","7364","7369","10.1021/ic960454q","","","1.54184","CuKα","","0.0929","0.0672","","0.1767","0.1551","","","","1.028","1.078","1.078","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323984","28.546","0.003","28.546","0.003","27.679","0.002","90","","90","","120","","19533","3","293","2","293","2","","","","","","","reaction of [Ph4P]4[Zr6Cl18H5] with TiCl4","5","R -3 :H","-R 3","148","","bis(tetraphenylphosphonium) dodecakis-/m-chloro-hexachloro- hexahydrido-hexa-zirconium","","- C48 H46 Cl18 P2 Zr6 -","- C48.01 H42.5 Cl18 P2 Zr6 -","- C576.12 H510 Cl216 P24 Zr72 -","12","0.666667","","Linfeng Chen; F. Albert Cotton","Synthesis, Structure, and Reactivity of [Zr6Cl18H5]2-, the First Paramagnetic Species of Its Class","Inorganic Chemistry","1996","35","","7364","7369","10.1021/ic960454q","","","0.7093","MoKa","","0.1568","0.0496","","0.1211","0.0938","","","","1.032","1.178","1.178","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323985","11.375","0.003","13.357","0.003","11.336","0.003","106.07","0.01","114.77","0.01","88.5","0.01","1494.8","0.7","213","2","213","2","","","","","","","reaction of (Ph4P)3[Zr6Cl18H5] with excess of TiCl4","6","P -1","-P 1","2","","bis(tetraphenylphosphonium)[octachloro-dizirconium-dititanium]","","- C48 H40 Cl16 P2 Ti2 Zr2 -","- C48 H40 Cl16 P2 Ti2 Zr2 -","- C48 H40 Cl16 P2 Ti2 Zr2 -","1","0.5","","Linfeng Chen; F. Albert Cotton","Synthesis, Structure, and Reactivity of [Zr6Cl18H5]2-, the First Paramagnetic Species of Its Class","Inorganic Chemistry","1996","35","","7364","7369","10.1021/ic960454q","","","0.71073","MoKα","","0.074","0.053","","0.147","0.1199","","","","1.007","1.035","1.035","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323986","12.38","0.005","12.883","0.005","11","0.004","110.39","0.07","98.29","0.07","73.12","0.04","1571.8","1.3","213","2","213","2","","","","","","","reaction of [Ph4P]3[Zr6Cl18H5] with TiCl4 and [Ph4P]2[ZrCl6]","5","P -1","-P 1","2","","tetraphenylphosphonium tris-μ-chloro-hexachloro-di- zirconium","","- C24 H20 Cl9 P Zr2 -","- C24 H20 Cl9 P Zr2 -","- C48 H40 Cl18 P2 Zr4 -","2","1","","Linfeng Chen; F. Albert Cotton","Synthesis, Structure, and Reactivity of [Zr6Cl18H5]2-, the First Paramagnetic Species of Its Class","Inorganic Chemistry","1996","35","","7364","7369","10.1021/ic960454q","","","0.71073","MoKα","","0.0652","0.0502","","0.1232","0.1119","","","","1.065","1.094","1.094","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323987","9.595","0.001","19.566","0.003","15.049","0.001","90","","98.5","0.01","90","","2794.2","0.6","213","2","213","2","","","","","","","reaction of [Ph4P]3[Zr6Cl18H5] with H+, crystallized from MeCN-Et2O","6","P 1 21/c 1","-P 2ybc","14","","bis(tetraphenylphosphnium) hexachloro-zirconium(IV) tetrakis(acetonitrile solvate)","","- C56 H52 Cl6 N4 P2 Zr -","- C56 H52 Cl6 N4 P2 Zr -","- C112 H104 Cl12 N8 P4 Zr2 -","2","0.5","","Linfeng Chen; F. Albert Cotton","Synthesis, Structure, and Reactivity of [Zr6Cl18H5]2-, the First Paramagnetic Species of Its Class","Inorganic Chemistry","1996","35","","7364","7369","10.1021/ic960454q","","","0.71073","MoKα","","0.0863","0.0815","","0.1482","0.1454","","","","1.11","1.124","1.124","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323988","11.259","0.007","13.902","0.008","14.049","0.004","90","","96.21","0.03","90","","2186","2","203","","203","","","","","","","","recrystallization from Et2O","6","P 1 21/n 1","-P 2yn","14","","[CpFe(CO)2]2AlAr","","- C23 H22 Al Fe2 N O4 -","- C23 H22 Al Fe2 N O4 -","- C92 H88 Al4 Fe8 N4 O16 -","4","1","","Holger Braunschweig; Jens Müller; Beate Ganter","Molecular Structure of [CpFe(CO)2]2AlAr (Ar = 2-[(Dimethylamino)methyl]phenyl): An Alanediyl Complex with Two Fe-Al Bonds","Inorganic Chemistry","1996","35","","7443","7444","10.1021/ic960471f","","","0.71073","Mo-Kα","","0.039","0.032","","","0.039","","","","","1.042","1.042","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323989","15.245","0.002","15.245","0.002","21.832","0.002","90","","90","","90","","5074","1","293","2","293","2","","","","","","","synthesis","5","P 4/n c c :2","-P 4a 2ac","130","","tetra(μ-diphenylformamidinate)chloro ditechnetium (II,III) toluene solvate","","- C59 H52 Cl N8 Tc2 -","- C59 H44 Cl N8 Tc2 -","- C236 H176 Cl4 N32 Tc8 -","4","0.25","","F. Albert Cotton; Steven C. Haefner; Alfred P. Sattelberger","Metal-Metal Multiply Bonded Complexes of Technetium. 5.1 Tris and Tetrakis(formamidinato) Complexes of Ditechnetium","Inorganic Chemistry","1996","35","","7350","7357","10.1021/ic960535m","","","1.5406","Cu","","0.1269","0.0482","","0.1592","0.1246","","","","1.089","1.283","1.283","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323990","16.1853","0.0015","15.6371","0.0015","17.8116","0.0011","90","","110.142","0.005","90","","4232.3","0.6","293","2","293","2","","","","","","","synthesis","5","P 1 21/n 1","-P 2yn","14","","Dichloro tris(μ-di-p-tolylformamidinate) ditechnetium (II,III)","","- C45 H45 Cl2 N6 Tc2 -","- C45 H45 Cl2 N6 Tc2 -","- C180 H180 Cl8 N24 Tc8 -","4","1","","F. Albert Cotton; Steven C. Haefner; Alfred P. Sattelberger","Metal-Metal Multiply Bonded Complexes of Technetium. 5.1 Tris and Tetrakis(formamidinato) Complexes of Ditechnetium","Inorganic Chemistry","1996","35","","7350","7357","10.1021/ic960535m","","","1.5406","Cu","","0.0665","0.0452","","0.1274","0.1171","","","","1.102","1.148","1.148","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323991","8.3839","0.0005","14.45","0.003","16.079","0.001","90","","102.951","0.005","90","","1898.4","0.4","298","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 Cs F9 O9 Ru -","- C9 Cs F9 O9 Ru -","- C36 Cs4 F36 O36 Ru4 -","4","1","","Giuseppe Fachinetti; Tiziana Funaioli; Lorenzo Lecci; Fabio Marchetti","Ru3(CO)12 in Acidic Media. Intermediates of the Acid-Cocatalyzed Water-Gas Shift Reaction (WGSR)","Inorganic Chemistry","1996","35","","7217","7224","10.1021/ic960630v","","","0.71073","MoKα","","0.0727","0.0526","","0.1863","0.1278","","","","1.029","1.061","1.061","","","","","has coordinates,has disorder","179342","2020-10-21","18:00:00",""
"4323992","12.486","0.002","10.228","0.002","12.286","0.002","90","","107.76","0.02","90","","1494.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 F6 O8 Ru -","- C10 F6 O8 Ru -","- C40 F24 O32 Ru4 -","4","1","","Giuseppe Fachinetti; Tiziana Funaioli; Lorenzo Lecci; Fabio Marchetti","Ru3(CO)12 in Acidic Media. Intermediates of the Acid-Cocatalyzed Water-Gas Shift Reaction (WGSR)","Inorganic Chemistry","1996","35","","7217","7224","10.1021/ic960630v","","","0.71073","MoKα","","0.1633","0.089","","0.2865","0.22","","","","1.069","1.143","1.143","","","","","has coordinates,has disorder","179342","2020-10-21","18:00:00",""
"4323993","9.7604","0.0006","9.7604","0.0009","64.244","0.008","90","","90","","120","","5300.3","0.9","293","2","293","2","","","","","","","","6","P 65","P 65","170","","","","- C41 H36 B N3 O2 Ru -","- C41 H36 B N3 O2 Ru -","- C246 H216 B6 N18 O12 Ru6 -","6","1","","Giuseppe Fachinetti; Tiziana Funaioli; Lorenzo Lecci; Fabio Marchetti","Ru3(CO)12 in Acidic Media. Intermediates of the Acid-Cocatalyzed Water-Gas Shift Reaction (WGSR)","Inorganic Chemistry","1996","35","","7217","7224","10.1021/ic960630v","","","1.54178","CuKα","","0.0735","0.0343","","0.0886","0.0764","","","","1.108","1.066","1.066","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323994","11.635","0.004","19.544","0.003","11.48","0.003","100.69","0.02","109.7","0.01","95.08","0.02","2382.6","1.1","173","2","293","2","","","","","","","reduction of TiCl4 with HSnBu3 followed by addition of [PPh4]Cl and then PMe2Ph","5","P -1","-P 1","2","","(tetraphenylphosphonium) tetrachloro-tri-μ-chloro- bis(dimethylphenylphosphine)-dititanium","","- C41 H44 Cl9 P3 Ti2 -","- C41 H44 Cl9 P3 Ti2 -","- C82 H88 Cl18 P6 Ti4 -","2","1","","Linfeng Chen; F. Albert Cotton; Kim R. Dunbar; Xuejun Feng; Robert A. Heintz; Calvin Uzelmeir","Preparation, Molecular and Electronic Structures, and Magnetic Properties of Face-Sharing Bioctahedral Titanium(III) Compounds: [PPh4][Ti2(μ-Cl)3Cl4(PR3)2]","Inorganic Chemistry","1996","35","","7358","7363","10.1021/ic960636k","","","0.71073","MoKα","","0.0607","0.0496","","0.1363","0.1202","","","","1.095","1.095","1.095","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323995","12.461","0.001","20.301","0.008","11.507","0.005","91.44","0.01","113.27","0.01","104.27","0.02","2567","1.6","213","2","213","2","","","","","","","reduction of TiCl4 with HSnBu3 followed by addition of [PPh4]Cl and then PEt3","5","P -1","-P 1","2","","(tetraphenylphosphonium) [tetrachloro-tri-μ-chloro-bis(triethylphosphine)- dititanium bis(dichloromethane solvate)","","- C38 H54 Cl11 P3 Ti2 -","- C38 H54 Cl11 P3 Ti2 -","- C76 H108 Cl22 P6 Ti4 -","2","1","","Linfeng Chen; F. Albert Cotton; Kim R. Dunbar; Xuejun Feng; Robert A. Heintz; Calvin Uzelmeir","Preparation, Molecular and Electronic Structures, and Magnetic Properties of Face-Sharing Bioctahedral Titanium(III) Compounds: [PPh4][Ti2(μ-Cl)3Cl4(PR3)2]","Inorganic Chemistry","1996","35","","7358","7363","10.1021/ic960636k","","","0.71073","MoKα","","0.0747","0.0611","","0.1621","0.1441","","","","1.064","1.052","1.052","","","","","has coordinates,has disorder","179342","2020-10-21","18:00:00",""
"4323996","6.7725","0.0014","10.646","0.002","11.517","0.002","64.74","0.03","79.79","0.03","81.94","0.03","737.1","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C11 H17 B Cu F4 N3 O3 -","- C11 H17 B Cu F4 N3 O3 -","- C22 H34 B2 Cu2 F8 N6 O6 -","2","1","","Qin Lu; Joseph H. Reibenspies; Arthur E. Martell; Ramunas J. Motekaitis","Copper(II) Complexes of the Hexaaza Macrocyclic Ligand 3,6,9,16,19,22-Hexaaza-27,28-dioxatricyclo[22.2.1.111,14]octacosa- 1(26),11,13,24-tetraene and Their Interaction with Oxalate, Malonate, and Pyrophosphate Anions","Inorganic Chemistry","1996","35","","7462","7462","10.1021/ic960914f","","","0.71073","MoKα","","0.192","0.0799","","0.2723","0.1918","","","","1.014","1.127","1.127","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323997","10.541","0.003","17.647","0.005","10.965","0.003","90","","96.38","0.02","90","","2027","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Ferrocenyl(eta6-boratabenzol)(eta5-cyclopentadienyl)cobalt-hexafluorophosphat;","Ferrocenyl(eta6-boratabenzol)(eta5-cyclopentadienyl)cobalt-hexafluorophosphat","","- C20 H19 B Co F6 Fe P -","- C20 H19 B Co F6 Fe P -","- C80 H76 B4 Co4 F24 Fe4 P4 -","4","1","","Ute Hagenau; Jürgen Heck; Eric Hendrickx; André Persoons; Thomas Schuld; Hans Wong","(1-Ferrocenyl-η6-borabenzene)(η5-cyclopentadienyl)cobalt(1+): A New Heterobimetallic Basic NLO Chromophore,","Inorganic Chemistry","1996","35","","7863","7866","10.1021/ic960443x","","","0.71073","MoKα","","0.0805","0.0588","","0.1579","0.1397","","","","1.115","1.144","1.144","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323999","13.764","0.004","21.544","0.004","7.682","0.005","90","0","90","0","90","0","2278","1.7","299","","299","","","","","","","","Local laboratory","5","P 21 21 21","P 2ac 2ab","19","","{N,N'-di-3-ethoxysalicylidene-(R,R)-2,4-pentanediamine}oxovanadium(IV)","","- C23 H30 N2 O6 V -","- C23 H28 N2 O6 V -","- C92 H112 N8 O24 V4 -","4","1","","Ryuichi Kasahara; Masanobu Tsuchimoto; Shigeru Ohba; Kiyohiko Nakajima; Hiroyuki Ishida; Masaaki Kojima","Interconversion between Polymeric and Monomeric Forms of Oxovanadium(IV) Complexes with Tetradentate Schiff Base Ligands Derived from (R,R)-2,4-Pentanediamine","Inorganic Chemistry","1996","35","","7661","7665","10.1021/ic960531h","","","0.71073","MoKα","","","0.0643","","","0.0535","","","","","1.37","1.37","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324000","10.393","0.002","22.278","0.002","9.886","0.002","90","0","90","0","90","0","2289","0.7","299","","299","","","","","","","","Local laboratory","5","P 21 21 21","P 2ac 2ab","19","","{N,N'-di-3-ethoxysalicylidene-(R,R)-2,4-pentanediamine}oxovanadium(IV)","","- C23 H28 N2 O5 V -","- C23 H28 N2 O5 V -","- C92 H112 N8 O20 V4 -","4","1","","Ryuichi Kasahara; Masanobu Tsuchimoto; Shigeru Ohba; Kiyohiko Nakajima; Hiroyuki Ishida; Masaaki Kojima","Interconversion between Polymeric and Monomeric Forms of Oxovanadium(IV) Complexes with Tetradentate Schiff Base Ligands Derived from (R,R)-2,4-Pentanediamine","Inorganic Chemistry","1996","35","","7661","7665","10.1021/ic960531h","","","0.71073","MoKα","","","0.0551","","","0.0558","","","","","1.41","1.41","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324001","14.36","0.0009","21.5898","0.0013","21.585","0.002","90","","90.846","0.012","90","","6691.3","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C74 H46 Ag F20 O P3 Pt2 -","- C74 H45 Ag F20 O P3 Pt2 -","- C296 H180 Ag4 F80 O4 P12 Pt8 -","4","1","","José María Casas; Larry R. Falvello; Juan Forniés; Antonio Martín","Direct Ag-Pt2 Interactions in Pentafluorophenyl A-Frame Complexes Containing Halide or OH-and Bis(diphenylphosphino)methane (dppm) as Bridging Ligands. Crystal Structures of [(C6F5)2Pt(μ-OH)(μ-dppm){Ag(PPh3)}Pt(C6F5)2].C7H8 and [(C6F5)2Pt(μ-SC4H8)(μ-dppm)Pt(C6F5)2].1/2C6H14","Inorganic Chemistry","1996","35","","7867","7872","10.1021/ic9605332","","","0.71073","MoKα","","0.119","0.0546","","0.1032","0.0846","","","","1.046","1.081","1.081","","","","","has coordinates,has disorder","179343","2020-10-21","18:00:00",""
"4324002","22.258","0.006","11.351","0.003","22.268","0.005","90","","106.21","0.03","90","","5402","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H37 F20 P2 Pt2 S -","- C56 H37 F20 P2 Pt2 S -","- C224 H148 F80 P8 Pt8 S4 -","4","1","","José María Casas; Larry R. Falvello; Juan Forniés; Antonio Martín","Direct Ag-Pt2 Interactions in Pentafluorophenyl A-Frame Complexes Containing Halide or OH-and Bis(diphenylphosphino)methane (dppm) as Bridging Ligands. Crystal Structures of [(C6F5)2Pt(μ-OH)(μ-dppm){Ag(PPh3)}Pt(C6F5)2].C7H8 and [(C6F5)2Pt(μ-SC4H8)(μ-dppm)Pt(C6F5)2].1/2C6H14","Inorganic Chemistry","1996","35","","7867","7872","10.1021/ic9605332","","","0.71073","MoKα","","0.0761","0.0444","","0.1174","0.103","","","","1.06","1.117","1.117","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324003","9.585","0.002","10.151","0.002","10.555","0.004","92.32","0.03","93.21","0.03","98.84","0.02","1011.9","0.5","153.2","","153.2","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H5 N O9 Ru3 S -","- C15 H5 N O9 Ru3 S -","- C30 H10 N2 O18 Ru6 S2 -","2","1","","Wen-Yann Yeh; Stern; Duward F. Shriver","Syntheses, Characterization, and Structures of Tri- and Tetraruthenium Clusters Containing Sulfido, Phenylimido, and (Phenylimino)thio Ligands","Inorganic Chemistry","1996","35","","7857","7862","10.1021/ic960697i","","","0.7107","MoKalpha","","","0.0263","","","0.0304","","","","","2.981","2.981","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324004","8.986","0.007","13.968","0.003","19.232","0.009","90","","103.06","0.05","90","","2351","2","153.2","","153.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H5 N O11 Ru4 S2 -","- C17 H5 N O11 Ru4 S2 -","- C68 H20 N4 O44 Ru16 S8 -","4","1","","Wen-Yann Yeh; Stern; Duward F. Shriver","Syntheses, Characterization, and Structures of Tri- and Tetraruthenium Clusters Containing Sulfido, Phenylimido, and (Phenylimino)thio Ligands","Inorganic Chemistry","1996","35","","7857","7862","10.1021/ic960697i","","","0.7107","MoKalpha","","","0.0254","","","0.025","","","","","1.552","1.552","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324005","10.319","0.004","23.354","0.006","23.329","0.007","90","","100.43","0.03","90","","5529","3","153.2","","153.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H20 N4 O22 Ru8 S2 -","- C46 H20 N4 O22 Ru8 S2 -","- C184 H80 N16 O88 Ru32 S8 -","4","1","","Wen-Yann Yeh; Stern; Duward F. Shriver","Syntheses, Characterization, and Structures of Tri- and Tetraruthenium Clusters Containing Sulfido, Phenylimido, and (Phenylimino)thio Ligands","Inorganic Chemistry","1996","35","","7857","7862","10.1021/ic960697i","","","0.7107","MoKalpha","","","0.0511","","","0.0396","","","","","1.267","1.267","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324006","10.2168","0.0007","30.74","0.002","8.3403","0.0006","90","","105.96","0.002","90","","2518.4","0.3","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 Cl2 Cu N5 O10 -","- C20 H23 Cl2 Cu N5 O10 -","- C80 H92 Cl8 Cu4 N20 O40 -","4","1","","Craig J. Matthews; Troy A. Leese; William Clegg; Mark R. J. Elsegood; Lynne Horsburgh; Joyce C. Lockhart","A Route to Bis(benzimidazole) Ligands with Built-In Asymmetry: Potential Models of Protein Binding Sites Having Histidines of Different Basicity","Inorganic Chemistry","1996","35","","7563","7571","10.1021/ic960777m","","","0.71073","MoKα","","0.0598","0.0528","","0.136","0.1306","","","","1.077","1.114","1.114","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324007","8.3348","0.0011","18.165","0.002","14.14","0.002","90","","91.646","0.003","90","","2139.9","0.5","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 Br2 Cu N5 O2 -","- C20 H23 Br2 Cu N5 O2 -","- C80 H92 Br8 Cu4 N20 O8 -","4","1","","Craig J. Matthews; Troy A. Leese; William Clegg; Mark R. J. Elsegood; Lynne Horsburgh; Joyce C. Lockhart","A Route to Bis(benzimidazole) Ligands with Built-In Asymmetry: Potential Models of Protein Binding Sites Having Histidines of Different Basicity","Inorganic Chemistry","1996","35","","7563","7571","10.1021/ic960777m","","","0.71073","MoKα","","0.0646","0.0375","","0.0869","0.0766","","","","1.026","1.06","1.06","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324008","8.7241","0.001","18.172","0.002","14.506","0.002","90","","97.376","0.002","90","","2280.7","0.5","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Br2 Cu N6 O5 -","- C19 H22 Br2 Cu N6 O5 -","- C76 H88 Br8 Cu4 N24 O20 -","4","1","","Craig J. Matthews; Troy A. Leese; William Clegg; Mark R. J. Elsegood; Lynne Horsburgh; Joyce C. Lockhart","A Route to Bis(benzimidazole) Ligands with Built-In Asymmetry: Potential Models of Protein Binding Sites Having Histidines of Different Basicity","Inorganic Chemistry","1996","35","","7563","7571","10.1021/ic960777m","","","0.71073","MoKα","","0.0734","0.0438","","0.106","0.0919","","","","1.07","1.126","1.126","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324009","14.325","0.002","13.919","0.002","18.837","0.002","90","","90","","90","","3755.9","0.9","160","2","160","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H18 Br2 Cu N4 O2 -","- C17 H18 Br2 Cu N4 O2 -","- C136 H144 Br16 Cu8 N32 O16 -","8","1","","Craig J. Matthews; Troy A. Leese; William Clegg; Mark R. J. Elsegood; Lynne Horsburgh; Joyce C. Lockhart","A Route to Bis(benzimidazole) Ligands with Built-In Asymmetry: Potential Models of Protein Binding Sites Having Histidines of Different Basicity","Inorganic Chemistry","1996","35","","7563","7571","10.1021/ic960777m","","","0.71073","MoKα","","0.0652","0.0402","","0.0933","0.0817","","","","1.045","1.075","1.075","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324010","7.312","0.0011","9.946","0.0015","15.189","0.002","87.476","0.004","89.093","0.004","68.673","0.003","1028","0.3","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 Br2 Cu N4 O2 -","- C19 H22 Br2 Cu N4 O2 -","- C38 H44 Br4 Cu2 N8 O4 -","2","1","","Craig J. Matthews; Troy A. Leese; William Clegg; Mark R. J. Elsegood; Lynne Horsburgh; Joyce C. Lockhart","A Route to Bis(benzimidazole) Ligands with Built-In Asymmetry: Potential Models of Protein Binding Sites Having Histidines of Different Basicity","Inorganic Chemistry","1996","35","","7563","7571","10.1021/ic960777m","","","0.71073","MoKα","","0.0642","0.0514","","0.1184","0.1084","","","","1.167","1.153","1.153","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324011","7.313","0.0009","15.861","0.002","14.846","0.002","90","","98.318","0.003","90","","1703.9","0.4","160","2","160","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Br2 Cu N3 O S -","- C16 H13 Br2 Cu N3 O S -","- C64 H52 Br8 Cu4 N12 O4 S4 -","4","1","","Craig J. Matthews; Troy A. Leese; William Clegg; Mark R. J. Elsegood; Lynne Horsburgh; Joyce C. Lockhart","A Route to Bis(benzimidazole) Ligands with Built-In Asymmetry: Potential Models of Protein Binding Sites Having Histidines of Different Basicity","Inorganic Chemistry","1996","35","","7563","7571","10.1021/ic960777m","","","0.71073","MoKα","","0.0517","0.0386","","0.0826","0.0752","","","","1.192","1.187","1.187","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324012","7.811","0.006","34.67","0.03","7.481","0.006","90","","90","","90","","2026","3","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H20 Cl2 Mn O8 -","- C18 H20 Cl2 Mn O8 -","- C72 H80 Cl8 Mn4 O32 -","4","0.5","","Vasilis Tangoulis; George Psomas; Catherine Dendrinou-Samara; Catherine P. Raptopoulou; Aris Terzis; Dimitris P. Kessissoglou","A Two-Dimensional Manganese(II) Carboxylato Polymer. Structure, Magnetism, and EPR Study","Inorganic Chemistry","1996","35","","7655","7660","10.1021/ic9608051","","","0.71073","MoKα","","0.0729","0.0409","","0.1114","0.091","","","","1.098","1.127","1.127","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324013","13.54","0.002","12.774","0.003","16.873","0.003","90","","90","","90","","2918.4","1","293","","293","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C23 H32 Cl2 F6 P Rh S4 -","- C23 H32 Cl2 F6 P Rh S4 -","- C92 H128 Cl8 F24 P4 Rh4 S16 -","4","0.5","","Niranjan Goswami; Roger Alberto; Charles L. Barnes; Silvia Jurisson","Rhodium(III) Complexes with Acyclic Tetrathioether Ligands. Effects of Backbone Chain Length on the Conformation of the Rh(III) Complex","Inorganic Chemistry","1996","35","","7546","7555","10.1021/ic960952z","","","0.7093","MolybdenumKα","","0.039","0.039","","0.047","0.047","","","","","1.29","1.29","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324014","14.365","0.002","13.2","0.003","15.736","0.002","90","","115.571","0.004","90","","2691.6","0.8","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl2 F6 P Rh S4 -","- C20 H26 Cl2 F6 P Rh S4 -","- C80 H104 Cl8 F24 P4 Rh4 S16 -","4","1","","Niranjan Goswami; Roger Alberto; Charles L. Barnes; Silvia Jurisson","Rhodium(III) Complexes with Acyclic Tetrathioether Ligands. Effects of Backbone Chain Length on the Conformation of the Rh(III) Complex","Inorganic Chemistry","1996","35","","7546","7555","10.1021/ic960952z","","","0.7093","MolybdenumKα","","0.048","0.048","","0.057","0.057","","","","","1.62","1.62","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324015","10.937","0.003","19.055","0.002","13.734","0.004","90","","103.596","0.013","90","","2782","1.2","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 Cl2 F6 P Rh S4 -","- C21 H28 Cl2 F6 P Rh S4 -","- C84 H112 Cl8 F24 P4 Rh4 S16 -","4","1","","Niranjan Goswami; Roger Alberto; Charles L. Barnes; Silvia Jurisson","Rhodium(III) Complexes with Acyclic Tetrathioether Ligands. Effects of Backbone Chain Length on the Conformation of the Rh(III) Complex","Inorganic Chemistry","1996","35","","7546","7555","10.1021/ic960952z","","","0.7093","MolybdenumKα","","0.037","0.037","","0.046","0.046","","","","","1.3","1.3","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324016","7.732","0.002","13.046","0.003","15.72","0.004","67.62","0.02","79.63","0.03","78.6","0.03","1427.7","0.7","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H30 Cl2 F6 P Rh S4 -","- C22 H30 Cl2 F6 P Rh S4 -","- C44 H60 Cl4 F12 P2 Rh2 S8 -","2","1","","Niranjan Goswami; Roger Alberto; Charles L. Barnes; Silvia Jurisson","Rhodium(III) Complexes with Acyclic Tetrathioether Ligands. Effects of Backbone Chain Length on the Conformation of the Rh(III) Complex","Inorganic Chemistry","1996","35","","7546","7555","10.1021/ic960952z","","","0.7093","MolybdenumKα","","0.049","0.049","","0.061","0.061","","","","","1.68","1.68","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324030","6.96","0.002","7.718","0.002","9.693","0.002","90.61","0.02","91.72","0.02","90.17","0.02","520.4","0.2","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 Cd N7 Ni -","- C20 H12 Cd N6 Ni -","- C20 H12 Cd N6 Ni -","1","0.5","","Hidetaka Yuge; Yohsuke Noda; Toschitake Iwamoto","Variations in Catenation Behavior in Aromatic Guest Clathrates Containing Rigid Host Entitiesp-Xylylenediamine (p-xda) and Tetracyanonickelate(II) Linking Octahedral Cadmium(II) in [Cd(p-xda)nNi(CN)4] Host (n= 1, 1.5, or 2) and the Related Complex [Cd(C6H5NH2)2(p-xda)Ni(CN)4]","Inorganic Chemistry","1996","35","","1842","1848","10.1021/ic950382n","","","0.70926","MoKα","","","0.0298","","","0.048","","","","","0.884","0.884","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324031","8.149","0.002","9.577","0.001","9.865","0.002","81.03","0.01","94.08","0.02","106.08","0.02","730.4","0.3","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H33 Cd N9 Ni -","- C27 H24 Cd N9 Ni -","- C27 H24 Cd N9 Ni -","1","0.5","","Hidetaka Yuge; Yohsuke Noda; Toschitake Iwamoto","Variations in Catenation Behavior in Aromatic Guest Clathrates Containing Rigid Host Entitiesp-Xylylenediamine (p-xda) and Tetracyanonickelate(II) Linking Octahedral Cadmium(II) in [Cd(p-xda)nNi(CN)4] Host (n= 1, 1.5, or 2) and the Related Complex [Cd(C6H5NH2)2(p-xda)Ni(CN)4]","Inorganic Chemistry","1996","35","","1842","1848","10.1021/ic950382n","","","0.70926","MoKα","","","0.049","","","0.0567","","","","","1.178","1.178","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324032","8.615","0.003","17.568","0.002","9.95","0.002","90","","105.3","0.02","90","","1452.5","0.6","293","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C26 H32 Cd N8 Ni O2 -","- C26 H30 Cd N8 Ni O2 -","- C52 H60 Cd2 N16 Ni2 O4 -","2","0.5","","Hidetaka Yuge; Yohsuke Noda; Toschitake Iwamoto","Variations in Catenation Behavior in Aromatic Guest Clathrates Containing Rigid Host Entitiesp-Xylylenediamine (p-xda) and Tetracyanonickelate(II) Linking Octahedral Cadmium(II) in [Cd(p-xda)nNi(CN)4] Host (n= 1, 1.5, or 2) and the Related Complex [Cd(C6H5NH2)2(p-xda)Ni(CN)4]","Inorganic Chemistry","1996","35","","1842","1848","10.1021/ic950382n","","","0.70926","MoKα","","","0.0519","","","0.052","","","","","1.304","1.304","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324033","8.505","0.001","17.737","0.001","10.106","0.001","90","","102.64","0.01","90","","1487.6","0.3","293","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C29 H31 Cd N9 Ni -","- C29 H31 Cd N9 Ni -","- C58 H62 Cd2 N18 Ni2 -","2","0.5","","Hidetaka Yuge; Yohsuke Noda; Toschitake Iwamoto","Variations in Catenation Behavior in Aromatic Guest Clathrates Containing Rigid Host Entitiesp-Xylylenediamine (p-xda) and Tetracyanonickelate(II) Linking Octahedral Cadmium(II) in [Cd(p-xda)nNi(CN)4] Host (n= 1, 1.5, or 2) and the Related Complex [Cd(C6H5NH2)2(p-xda)Ni(CN)4]","Inorganic Chemistry","1996","35","","1842","1848","10.1021/ic950382n","","","0.70926","MoKα","","","0.0422","","","0.0474","","","","","1.379","1.379","","","","","has coordinates","201171","2020-10-21","18:00:00",""
"4324034","19.82","0.002","7.738","0.002","31.213","0.001","90","","109.138","0.005","90","","4522.5","1.3","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H46 Cd2 N16 Ni2 -","- C40 H46 Cd2 N16 Ni2 -","- C160 H184 Cd8 N64 Ni8 -","4","0.5","","Hidetaka Yuge; Yohsuke Noda; Toschitake Iwamoto","Variations in Catenation Behavior in Aromatic Guest Clathrates Containing Rigid Host Entitiesp-Xylylenediamine (p-xda) and Tetracyanonickelate(II) Linking Octahedral Cadmium(II) in [Cd(p-xda)nNi(CN)4] Host (n= 1, 1.5, or 2) and the Related Complex [Cd(C6H5NH2)2(p-xda)Ni(CN)4]","Inorganic Chemistry","1996","35","","1842","1848","10.1021/ic950382n","","","0.70926","MoKα","","","0.048","","","0.0508","","","","","1.261","1.261","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324035","22.24","0.001","9.254","0.001","16.241","0.001","90","","130.668","0.003","90","","2535.3","0.4","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Cd N8 Ni -","- C24 H26 Cd N8 Ni -","- C96 H104 Cd4 N32 Ni4 -","4","0.5","","Hidetaka Yuge; Yohsuke Noda; Toschitake Iwamoto","Variations in Catenation Behavior in Aromatic Guest Clathrates Containing Rigid Host Entitiesp-Xylylenediamine (p-xda) and Tetracyanonickelate(II) Linking Octahedral Cadmium(II) in [Cd(p-xda)nNi(CN)4] Host (n= 1, 1.5, or 2) and the Related Complex [Cd(C6H5NH2)2(p-xda)Ni(CN)4]","Inorganic Chemistry","1996","35","","1842","1848","10.1021/ic950382n","","","0.70926","MoKα","","","0.0389","","","0.0444","","","","","1.174","1.174","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324036","7.392","0.003","7.921","0.002","6.247","0.001","90.89","0.02","101.49","0.02","70.92","0.02","338.27","0.18","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 N6 Ni -","- C12 H14 N6 Ni -","- C12 H14 N6 Ni -","1","0.5","","Hidetaka Yuge; Yohsuke Noda; Toschitake Iwamoto","Variations in Catenation Behavior in Aromatic Guest Clathrates Containing Rigid Host Entitiesp-Xylylenediamine (p-xda) and Tetracyanonickelate(II) Linking Octahedral Cadmium(II) in [Cd(p-xda)nNi(CN)4] Host (n= 1, 1.5, or 2) and the Related Complex [Cd(C6H5NH2)2(p-xda)Ni(CN)4]","Inorganic Chemistry","1996","35","","1842","1848","10.1021/ic950382n","","","0.70926","MoKα","","","0.0507","","","0.0456","","","","","2.171","2.171","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324037","16.178","0.005","12.784","0.004","10.427","0.002","90","","90","","90","","2156.5","1","270","1","270","1","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C17 H30 Cl16 O8 Sb2 Ti -","- C17 H30 Cl16 O8 Sb2 Ti -","- C34 H60 Cl32 O16 Sb4 Ti2 -","2","0.5","","Piotr Sobota; Sławomir Szafert","Ionization of TiCl4 and MgCl2 during the Formation of a High-Activity α-Olefin Polymerization Catalyst. Crystal Structures of [cis-{C2H4(CO2Et)2}2Cl2Ti][SbCl6]2.CH2Cl2 and [Mg{C2H4(CO2Et)2}3][MgCl4].2CH2Cl2","Inorganic Chemistry","1996","35","","1778","1781","10.1021/ic9504093","","","0.71073","MoKα","","","0.0361","","","0.0859","","","","","1.17","1.17","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324038","26.121","0.006","10.086","0.002","17.947","0.004","90","","116.76","0.03","90","","4221.9","1.9","180","1","180","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H46 Cl8 Mg2 O12 -","- C26 H46 Cl8 Mg2 O12 -","- C104 H184 Cl32 Mg8 O48 -","4","0.5","","Piotr Sobota; Sławomir Szafert","Ionization of TiCl4 and MgCl2 during the Formation of a High-Activity α-Olefin Polymerization Catalyst. Crystal Structures of [cis-{C2H4(CO2Et)2}2Cl2Ti][SbCl6]2.CH2Cl2 and [Mg{C2H4(CO2Et)2}3][MgCl4].2CH2Cl2","Inorganic Chemistry","1996","35","","1778","1781","10.1021/ic9504093","","","0.71073","MoKα","","","0.0583","","","0.127","","","","","1.055","1.055","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324039","11.256","0.002","26.712","0.002","20.048","0.005","90","","90.45","0.02","90","","6027.7","1.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H48 O13 P2 Rh2 Ru2 -","- C64 H48 O13 P2 Rh1.818 Ru2.178 -","- C256 H192 O52 P8 Rh7.272 Ru8.712 -","4","1","","Alessandro Fumagalli; Davide Italia; Maria Carlotta Malatesta; Gianfranco Ciani; Massimo Moret; Angelo Sironi","Mixed Ruthenium-Rhodium Carbonyl Clusters. Synthesis and Crystal Structure of the [PPh4]+ Salts of the Anions [Ru2Rh2(CO)7(μ-CO)5]2-, [Ru2Rh2(CO)9(μ-CO)3(μ-H)]-, and [Ru2Rh2(CO)7(μ-CO)5(μ3-AuPPh3)]-","Inorganic Chemistry","1996","35","","1765","1772","10.1021/ic950728u","","","0.71073","MoKα","","0.0483","0.0482","","0.1085","0.107","","","","1.067","1.067","1.067","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324040","12.453","0.002","24.074","0.003","13.174","0.002","90","","90.67","0.01","90","","3949.2","1","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C36 H21 O12 P Rh2 Ru2 -","- C36 H21 O12 P Rh2.0566 Ru1.9398 -","- C144 H84 O48 P4 Rh8.2264 Ru7.7592 -","4","1","","Alessandro Fumagalli; Davide Italia; Maria Carlotta Malatesta; Gianfranco Ciani; Massimo Moret; Angelo Sironi","Mixed Ruthenium-Rhodium Carbonyl Clusters. Synthesis and Crystal Structure of the [PPh4]+ Salts of the Anions [Ru2Rh2(CO)7(μ-CO)5]2-, [Ru2Rh2(CO)9(μ-CO)3(μ-H)]-, and [Ru2Rh2(CO)7(μ-CO)5(μ3-AuPPh3)]-","Inorganic Chemistry","1996","35","","1765","1772","10.1021/ic950728u","","","0.71073","MoKα","","0.0393","0.0389","","0.0978","0.0961","","","","1.04","1.04","1.04","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324041","11.72","0.002","13.133","0.003","35.614","0.002","90","","95.7","0.01","90","","5454.6","1.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H35 Au O12 P2 Rh2 Ru2 -","- C54 H35 Au O12 P2 Rh2 Ru2 -","- C216 H140 Au4 O48 P8 Rh8 Ru8 -","4","1","","Alessandro Fumagalli; Davide Italia; Maria Carlotta Malatesta; Gianfranco Ciani; Massimo Moret; Angelo Sironi","Mixed Ruthenium-Rhodium Carbonyl Clusters. Synthesis and Crystal Structure of the [PPh4]+ Salts of the Anions [Ru2Rh2(CO)7(μ-CO)5]2-, [Ru2Rh2(CO)9(μ-CO)3(μ-H)]-, and [Ru2Rh2(CO)7(μ-CO)5(μ3-AuPPh3)]-","Inorganic Chemistry","1996","35","","1765","1772","10.1021/ic950728u","","","0.71073","MoKα","","0.0539","0.0522","","0.1268","0.1156","","","","1.074","1.074","1.074","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324042","7.675","0.002","8.819","0.002","9.459","0.002","115.72","0.03","96.89","0.03","94.02","0.03","567.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 B2 N4 Ni -","- C24 H28 B2 N4 Ni -","- C24 H28 B2 N4 Ni -","1","0.5","","Thomas G. Hodgkins; Douglas R. Powell","Derivatives of the Dimethylbis(2-pyridyl)borate(1-) Ion: Synthesis and Structure","Inorganic Chemistry","1996","35","","2140","2148","10.1021/ic950775m","","","0.71073","MoKα","","0.0349","0.0308","","0.0767","0.0748","","","","1.046","1.063","1.063","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324043","8.836","0.002","7.1825","0.0005","9.2789","0.0011","90","","99.812","0.015","90","","580.27","0.16","295","2","295","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C12 H15 B N2 -","- C12 H15 B N2 -","- C24 H30 B2 N4 -","2","0.5","","Thomas G. Hodgkins; Douglas R. Powell","Derivatives of the Dimethylbis(2-pyridyl)borate(1-) Ion: Synthesis and Structure","Inorganic Chemistry","1996","35","","2140","2148","10.1021/ic950775m","","","0.71073","MoKα","","0.0442","0.038","","0.1126","0.1062","","","","1.093","1.132","1.132","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324044","8.0334","0.0012","10.9169","0.0009","22.981","0.002","90","","94.653","0.009","90","","2008.8","0.4","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 B2 N2 -","- C24 H24 B2 N2 -","- C96 H96 B8 N8 -","4","1","","Thomas G. Hodgkins; Douglas R. Powell","Derivatives of the Dimethylbis(2-pyridyl)borate(1-) Ion: Synthesis and Structure","Inorganic Chemistry","1996","35","","2140","2148","10.1021/ic950775m","","","1.54178","CuKα","","0.0556","0.046","","0.1302","0.1221","","","","1.071","1.103","1.103","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324045","8.01","0.002","31.256","0.003","18.753","0.003","90","","90.83","0.02","90","","4694.5","1.5","148","2","148","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H28 B2 N4 Zn -","- C24 H28 B2 N4 Zn -","- C192 H224 B16 N32 Zn8 -","8","2","","Thomas G. Hodgkins; Douglas R. Powell","Derivatives of the Dimethylbis(2-pyridyl)borate(1-) Ion: Synthesis and Structure","Inorganic Chemistry","1996","35","","2140","2148","10.1021/ic950775m","","","0.71073","MoKα","","0.0889","0.0667","","0.1958","0.1744","","","","1.045","1.04","1.04","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324046","9.4478","0.0011","24.2995","0.0011","18.231","0.001","90","","90","","90","","4185.4","0.6","295","2","296","2","","","","","","","slow evaporation of a CH2Cl2/heptane solution","6","C 2 2 21","C 2c 2","20","Ditechnetium tetrachloro tetra(dimethylphenyl)phosphine hexafluorophosphate","Ditechnetium tetrachloro tetra(dimethylphenyl)phosphine hexafluorophosphate","","- C32 H44 Cl4 F6 P5 Tc2 -","- C32 H44 Cl4 F6 P5 Tc2 -","- C128 H176 Cl16 F24 P20 Tc8 -","4","0.5","","F. Albert Cotton; Steven C. Haefner; Alfred P. Sattelberger","Metal-Metal Multiply-Bonded Complexes of Technetium. 3.1 Preparation and Characterization of Phosphine Complexes of Technetium Possessing a Metal-Metal Bond Order of 3.5","Inorganic Chemistry","1996","35","","1831","1838","10.1021/ic9508583","","","1.54184","CuKα","","0.0325","0.0309","","0.0825","0.0812","","","","1.107","1.107","1.107","","","","","has coordinates,has disorder","179343","2020-10-21","18:00:00",""
"4324047","12.799","0.004","18.254","0.002","17.945","0.005","90","","96.393","0.013","90","","4166.5","1.8","296","2","296","2","","","","","","","Chemical oxidation of Tc2Cl4(PMe2Ph)4","6","P 1 21/n 1","-P 2yn","14","Ditechnetium tetrachloro tetra(dimethylphenylhosphine) hexafluorophsphate","Ditechnetium tetrachloro tetra(dimethylphenylhosphine) hexafluorophsphate","","- C32 H44 Cl4 F6 P5 Tc2 -","- C32 H44 Cl4 F6 P5 Tc2 -","- C128 H176 Cl16 F24 P20 Tc8 -","4","1","","F. Albert Cotton; Steven C. Haefner; Alfred P. Sattelberger","Metal-Metal Multiply-Bonded Complexes of Technetium. 3.1 Preparation and Characterization of Phosphine Complexes of Technetium Possessing a Metal-Metal Bond Order of 3.5","Inorganic Chemistry","1996","35","","1831","1838","10.1021/ic9508583","","","0.71073","MoKα","","0.1017","0.049","","0.1493","0.1239","","","","1.017","1.073","1.073","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324048","10.58","0.003","33.327","0.003","13.861","0.003","90","","111.04","0.02","90","","4561.5","1.8","293","2","293","2","","","","","","","cold CH3CN solution with 4:1 diethyl ether and thf","7","P 1 21/c 1","-P 2ybc","14","Ditechnetium tetrachloro tetra(dimethylphenylphosphine) hexafluorophosphate","Ditechnetium tetrachloro tetra(dimethylphenylphosphine) hexafluorophosphate","","- C34 H48 Cl4 F6 O0.5 P5 Tc2 -","- C34 H48 Cl4 F6 O0.5 P5 Tc2 -","- C136 H192 Cl16 F24 O2 P20 Tc8 -","4","1","","F. Albert Cotton; Steven C. Haefner; Alfred P. Sattelberger","Metal-Metal Multiply-Bonded Complexes of Technetium. 3.1 Preparation and Characterization of Phosphine Complexes of Technetium Possessing a Metal-Metal Bond Order of 3.5","Inorganic Chemistry","1996","35","","1831","1838","10.1021/ic9508583","","","1.54184","CuKα","","0.0681","0.0504","","0.1545","0.1412","","","","1.079","1.111","1.111","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324049","11.134","0.0014","14.4057","0.0013","19.501","0.003","90","","98.144","0.006","90","","3096.3","0.7","295","2","293","2","","","","","","","chemical oxidation of Tc2Cl4(PMe2Ph)4 in the presence of Cl-","5","P 1 21/c 1","-P 2ybc","14","1,3,6-ditechnetium pentachloro tris(dimethylphenylphosphine)","1,3,6-ditechnetium pentachloro tris(dimethylphenylphosphine)","","- C24 H33 Cl5 P3 Tc2 -","- C24 H33 Cl5 P3 Tc1.9994 -","- C96 H132 Cl20 P12 Tc7.9976 -","4","1","","F. Albert Cotton; Steven C. Haefner; Alfred P. Sattelberger","Metal-Metal Multiply-Bonded Complexes of Technetium. 3.1 Preparation and Characterization of Phosphine Complexes of Technetium Possessing a Metal-Metal Bond Order of 3.5","Inorganic Chemistry","1996","35","","1831","1838","10.1021/ic9508583","","","0.7093","MoKα","","0.0435","0.0261","","0.0806","0.0659","","","","1.103","1.067","1.067","","","","","has coordinates,has disorder","179343","2020-10-21","18:00:00",""
"4324050","13.246","0.003","10.043","0.002","14.102","0.003","90","","104.37","0.03","90","","1817.3","0.7","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 F5 N O2.5 W -","- C16 H15 F5 N O2.5 W -","- C64 H60 F20 N4 O10 W4 -","4","1","","Katrin Köhler; Herbert W. Roesky; Axel Herzog; Heinz Gornitzka; Alexander Steiner; Isabel Usón","Syntheses, Structures, and Reactivity of a Series of (Pentamethylcyclopentadienyl)molybdenum(V) and -tungsten(V) Imido Complexes","Inorganic Chemistry","1996","35","","1773","1777","10.1021/ic950919x","","","0.71073","MoKa","","0.0316","0.0295","","0.0765","0.0735","","","","1.055","1.064","1.064","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324051","15.171","0.003","7.615","0.002","14.758","0.003","90","","90.29","0.03","90","","1704.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 Cl2 N W -","- C14 H24 Cl2 N W -","- C56 H96 Cl8 N4 W4 -","4","1","","Katrin Köhler; Herbert W. Roesky; Axel Herzog; Heinz Gornitzka; Alexander Steiner; Isabel Usón","Syntheses, Structures, and Reactivity of a Series of (Pentamethylcyclopentadienyl)molybdenum(V) and -tungsten(V) Imido Complexes","Inorganic Chemistry","1996","35","","1773","1777","10.1021/ic950919x","","","0.71073","MoKα","","0.153","0.0615","","0.2478","0.1841","","","","1.089","1.089","1.089","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324052","8.604","0.001","12.049","0.001","17.02","0.002","90","","90","","90","","1764.5","0.3","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 Cl2 Mo N -","- C14 H24 Cl2 Mo N -","- C56 H96 Cl8 Mo4 N4 -","4","1","","Katrin Köhler; Herbert W. Roesky; Axel Herzog; Heinz Gornitzka; Alexander Steiner; Isabel Usón","Syntheses, Structures, and Reactivity of a Series of (Pentamethylcyclopentadienyl)molybdenum(V) and -tungsten(V) Imido Complexes","Inorganic Chemistry","1996","35","","1773","1777","10.1021/ic950919x","","","0.71073","MoKα","","0.0217","0.0213","","0.057","0.0561","","","","1.057","1.055","1.055","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324053","10.4502","0.0007","10.6897","0.0011","15.9145","0.0016","90","","94.342","0.008","90","","1772.7","0.3","153","2","153","2","","","","","","","(Me5Cp)MoCl4 + H2NC6F5","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Cl2 F5 Mo N -","- C16 H15 Cl2 F5 Mo N -","- C64 H60 Cl8 F20 Mo4 N4 -","4","1","","Katrin Köhler; Herbert W. Roesky; Axel Herzog; Heinz Gornitzka; Alexander Steiner; Isabel Usón","Syntheses, Structures, and Reactivity of a Series of (Pentamethylcyclopentadienyl)molybdenum(V) and -tungsten(V) Imido Complexes","Inorganic Chemistry","1996","35","","1773","1777","10.1021/ic950919x","","","0.71073","MoKa","","0.0239","0.0194","","0.0753","0.044","","","","1.052","1.065","1.065","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324054","7.3843","0.001","11.529","0.002","11.558","0.002","77.376","0.015","80.147","0.015","79.877","0.015","936.2","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H15 Cl3 F5 N W -","- C16 H15 Cl3 F5 N W -","- C32 H30 Cl6 F10 N2 W2 -","2","1","","Katrin Köhler; Herbert W. Roesky; Axel Herzog; Heinz Gornitzka; Alexander Steiner; Isabel Usón","Syntheses, Structures, and Reactivity of a Series of (Pentamethylcyclopentadienyl)molybdenum(V) and -tungsten(V) Imido Complexes","Inorganic Chemistry","1996","35","","1773","1777","10.1021/ic950919x","","","0.71073","MoKa","","0.0211","0.0206","","0.0548","0.0542","","","","1.063","1.063","1.063","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324055","7.862","0.001","14.152","0.002","19.975","0.003","90","","91.79","0.01","90","","2221.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 B N8 O4 Re -","- C18 H22 B N8 O4 Re -","- C72 H88 B4 N32 O16 Re4 -","4","1","","António Paulo; Ângela Domingos; Isabel Santos","Coordination of Tetrakis(pyrazolyl)borate in Rhenium Complexes Containing the [ReVO]3+ Core","Inorganic Chemistry","1996","35","","1798","1807","10.1021/ic950972l","","","0.71069","MoKα","","0.0677","0.0357","","0.1013","0.0782","","","","1.123","1.153","1.153","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324056","13.547","0.002","9.959","0.001","15.878","0.002","90","","102","0.01","90","","2095.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 B2 N16 O7 Re2 -","- C34 H38 B2 N16 O7 Re2 -","- C68 H76 B4 N32 O14 Re4 -","2","0.5","","António Paulo; Ângela Domingos; Isabel Santos","Coordination of Tetrakis(pyrazolyl)borate in Rhenium Complexes Containing the [ReVO]3+ Core","Inorganic Chemistry","1996","35","","1798","1807","10.1021/ic950972l","","","0.71069","MoKα","","0.1666","0.0565","","0.1631","0.1103","","","","1.119","1.225","1.225","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324057","11.086","0.002","15.269","0.001","12.133","0.001","90","","93.51","0.01","90","","2049.9","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H32 B2 Cl2 N20 O3 Re2 -","- C31 H30 B2 Cl2 N20 O3 Re2 -","- C62 H60 B4 Cl4 N40 O6 Re4 -","2","1","","António Paulo; Ângela Domingos; Isabel Santos","Coordination of Tetrakis(pyrazolyl)borate in Rhenium Complexes Containing the [ReVO]3+ Core","Inorganic Chemistry","1996","35","","1798","1807","10.1021/ic950972l","","","0.71069","MoKα","","0.0371","0.0299","","0.0843","0.0741","","","","1.074","1.066","1.066","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324058","15.551","0.006","9.7024","0.0012","17.32","0.006","90","","91.081","0.011","90","","2612.8","1.4","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 Fe O3 P2 -","- C29 H26 Fe O3 P2 -","- C116 H104 Fe4 O12 P8 -","4","1","","Rainer Glaser; Paul E. Haney; Charles L. Barnes","Crystal Structures and Packing of the Tricarbonylbis(phosphine)iron(0) Complexes trans-Fe(CO)3L2 (L = PPh2Me, PPh3). Interplay between Arene-Arene Interactions and Phosphine Conformations","Inorganic Chemistry","1996","35","","1758","1764","10.1021/ic9509894","","","0.7093","MolybdenumKα","","0.067","0.045","","0.057","0.054","","","","","1.42","1.42","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324059","23.906","0.005","7.0493","0.0006","17.024","0.004","90","","105.929","0.009","90","","2758.7","0.9","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H32 I O10 P4 Re -","- C20 H32 I O10 P4 Re -","- C80 H128 I4 O40 P16 Re4 -","4","0.5","","V. Sreenivasa Reddy; Douglas E. Berning; Kattesh Katti; Charles L. Barnes; Wynn A. Volkert; A.R. Kettring","Chemistry in Environmentally Benign Media. 3.1 Synthesis and Characterization of Rhenium(V) Complexes Derived from Novel Water-Soluble (Hydroxymethyl)phosphines. Crystal Structures of [Re(O)2{(HOH2C)2PC6H4P(CH2OH)2}2]I and [Re(O)2{(HOH2C)2PCH2CH2P(CH2OH)2}2]Cl","Inorganic Chemistry","1996","35","","1753","1757","10.1021/ic9510167","","","0.7093","MolybdenumKα","","0.019","0.019","","0.027","0.027","","","","","1.21","1.21","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324060","6.493","0.001","9.488","0.002","10.577","0.002","104.43","0.01","96.4","0.01","109.54","0.01","581","0.2","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H32 Cl2 O10 P4 Re -","- C12 H32 Cl2 O10 P4 Re -","- C12 H32 Cl2 O10 P4 Re -","1","0.5","","V. Sreenivasa Reddy; Douglas E. Berning; Kattesh Katti; Charles L. Barnes; Wynn A. Volkert; A.R. Kettring","Chemistry in Environmentally Benign Media. 3.1 Synthesis and Characterization of Rhenium(V) Complexes Derived from Novel Water-Soluble (Hydroxymethyl)phosphines. Crystal Structures of [Re(O)2{(HOH2C)2PC6H4P(CH2OH)2}2]I and [Re(O)2{(HOH2C)2PCH2CH2P(CH2OH)2}2]Cl","Inorganic Chemistry","1996","35","","1753","1757","10.1021/ic9510167","","","1.54056","CopperKα","","0.045","0.045","","0.06","0.06","","","","","1.89","1.89","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324061","7.84","0.001","13.6206","0.0009","14.246","0.001","77.141","0.006","86.539","0.009","86.465","0.009","1478.6","0.2","296","","296","","","","","","","","","5","P -1","-P 1","2","","trans-6,13-diammonio-6,13-diethyl-1,8-diaza-4,11-diazoniocyclotetradecane perchlorate dihydrate","","- C14 H42 Cl4 N6 O18 -","- C14 H42 Cl4 N6 O18 -","- C28 H84 Cl8 N12 O36 -","2","1","","Paul V. Bernhardt; Karl A. Byriel; Colin H. L. Kennard; Philip C. Sharpe","The Potentially Hexadentate Isomeric Macrocycles trans- and cis-6,13-Diethyl-1,4,8,11-tetraazacyclotetradecane-6,13-diamine and Their Cobalt(III) Complexes: Unexpected Conformational Behavior","Inorganic Chemistry","1996","35","","2045","2052","10.1021/ic951260y","","","0.71073","MoKα","","0.0395","0.0349","","0.097","0.0933","","","","1.05","1.078","1.078","","","","","has coordinates,has Fobs","179343","2020-10-21","18:00:00",""
"4324062","14.461","0.006","11.58","0.002","15.865","0.005","90","","111.96","0.01","90","","2464","1.4","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","trans-6,13-diethyl-1,4,8,11-tetraazacyclotetradecane-6,13-diamine cobalt(III) perchlorate","","- C14 H34 Cl3 Co N6 O12 -","- C14 H34 Cl3 Co N6 O12 -","- C56 H136 Cl12 Co4 N24 O48 -","4","0.5","","Paul V. Bernhardt; Karl A. Byriel; Colin H. L. Kennard; Philip C. Sharpe","The Potentially Hexadentate Isomeric Macrocycles trans- and cis-6,13-Diethyl-1,4,8,11-tetraazacyclotetradecane-6,13-diamine and Their Cobalt(III) Complexes: Unexpected Conformational Behavior","Inorganic Chemistry","1996","35","","2045","2052","10.1021/ic951260y","","","0.71073","MoKα","","0.0755","0.0586","","0.1706","0.1543","","","","1.046","1.084","1.084","","","","","has coordinates,has disorder,has Fobs","179343","2020-10-21","18:00:00",""
"4324063","16.421","0.002","19.353","0.002","12.397","0.003","90","","91.16","0.02","90","","3938.9","1.1","195","","195","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 B2 Cl6 F8 Pd2 Se6 -","- C19.21 H36 B2 Cl6.29 F8 Pd2 Se6 -","- C76.84 H144 B8 Cl25.16 F32 Pd8 Se24 -","4","1","","Raymond J. Batchelor; Frederick W. B. Einstein; Ian D. Gay; Jian Gu; B. Mario Pinto; Xuemin Zhou","Stereochemical Analysis of Palladium(II) Complexes of the Selenium Coronands 1,5,9,13-Tetraselenacyclohexadecane and 1,5,9,13,17,21-Hexaselenacyclotetracosane","Inorganic Chemistry","1996","35","","3667","3674","10.1021/ic951151j","","","0.7093","MolybdenumKα","","","0.037","","","0.047","","","","","1.49","1.49","","","","","has coordinates","192276","2020-10-21","18:00:00",""
"4324064","12.356","0.001","10.937","0.001","16.233","0.002","90","","90","","90","","2193.7","0.4","295","","295","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H24 B2 F8 Pd Se4 -","- C12 H24 B2 F8 Pd Se4 -","- C48 H96 B8 F32 Pd4 Se16 -","4","0.5","","Raymond J. Batchelor; Frederick W. B. Einstein; Ian D. Gay; Jian Gu; B. Mario Pinto; Xuemin Zhou","Stereochemical Analysis of Palladium(II) Complexes of the Selenium Coronands 1,5,9,13-Tetraselenacyclohexadecane and 1,5,9,13,17,21-Hexaselenacyclotetracosane","Inorganic Chemistry","1996","35","","3667","3674","10.1021/ic951151j","","","0.7093","MolybdenumKα","","","0.036","","","0.047","","","","","1.52","1.52","","","","","has coordinates","192276","2020-10-21","18:00:00",""
"4324065","7.2377","0.0004","10.7784","0.0007","12.9523","0.0009","76.607","0.006","86.02","0.006","85.186","0.005","978.17","0.11","295","","295","","","","","","","","","7","P -1","-P 1","2","","","","- C12 H24 B Cl F4 Pd Se4 -","- C12 H24 B Cl F4 Pd Se4 -","- C24 H48 B2 Cl2 F8 Pd2 Se8 -","2","1","","Raymond J. Batchelor; Frederick W. B. Einstein; Ian D. Gay; Jian Gu; B. Mario Pinto; Xuemin Zhou","Stereochemical Analysis of Palladium(II) Complexes of the Selenium Coronands 1,5,9,13-Tetraselenacyclohexadecane and 1,5,9,13,17,21-Hexaselenacyclotetracosane","Inorganic Chemistry","1996","35","","3667","3674","10.1021/ic951151j","","","0.7093","MolybdenumKα","","","0.022","","","0.027","","","","","1.55","1.55","","","","","has coordinates,has disorder","192276","2020-10-21","18:00:00",""
"4324066","10.41","0.002","12.083","0.002","9.036","0.004","103.05","0.02","99.09","0.02","72.98","0.01","1053.6","0.5","293.2","","293.2","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 N O P2 -","- C24 H21 N O P2 -","- C48 H42 N2 O2 P4 -","2","1","","Pravat Bhattacharyya; Alexandra M. Z. Slawin; Martin B. Smith; J. Derek Woollins","Palladium(II) and Platinum(II) Complexes of the Heterodifunctional Ligand Ph2PNHP(O)Ph2","Inorganic Chemistry","1996","35","","3675","3682","10.1021/ic951247d","","","1.5418","CuKalpha","","","0.061","","","0.048","","","","","8.09","8.09","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324067","13.113","0.004","15.996","0.004","13.011","0.004","102.65","0.03","117.39","0.02","101.03","0.02","2225.9","1.4","293.2","","293.2","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H42 Br2 N2 O2 P4 Pt -","- C48 H42 Br2 N2 O2 P4 Pt -","- C96 H84 Br4 N4 O4 P8 Pt2 -","2","1","","Pravat Bhattacharyya; Alexandra M. Z. Slawin; Martin B. Smith; J. Derek Woollins","Palladium(II) and Platinum(II) Complexes of the Heterodifunctional Ligand Ph2PNHP(O)Ph2","Inorganic Chemistry","1996","35","","3675","3682","10.1021/ic951247d","","","1.5418","CuKalpha","","","0.039","","","0.031","","","","","1.941","1.941","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324068","17.6","0.01","13.5","0.01","18.641","0.009","90","","105","","90","","4278","4","293.2","","293.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C48 H40 N2 O2 P4 Pt -","- C48 H40 N2 O2 P4 Pt -","- C192 H160 N8 O8 P16 Pt4 -","4","1","","Pravat Bhattacharyya; Alexandra M. Z. Slawin; Martin B. Smith; J. Derek Woollins","Palladium(II) and Platinum(II) Complexes of the Heterodifunctional Ligand Ph2PNHP(O)Ph2","Inorganic Chemistry","1996","35","","3675","3682","10.1021/ic951247d","","","1.5418","CuKalpha","","","0.041","","","0.036","","","","","1.61","1.61","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324069","14.686","0.002","18.735","0.002","9.018","0.003","91.71","0.02","102.27","0.02","68.541","0.009","2253.3","0.9","293.2","","293.2","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H45 Cl N2 O2 P4 Pt -","- C49 H45 Cl N2 O2 P4 Pt -","- C98 H90 Cl2 N4 O4 P8 Pt2 -","2","1","","Pravat Bhattacharyya; Alexandra M. Z. Slawin; Martin B. Smith; J. Derek Woollins","Palladium(II) and Platinum(II) Complexes of the Heterodifunctional Ligand Ph2PNHP(O)Ph2","Inorganic Chemistry","1996","35","","3675","3682","10.1021/ic951247d","","","1.5418","CuKalpha","","","0.0413","","","0.0445","","","","","5.819","5.819","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324070","14.1","0.002","19.002","0.001","9.145","0.002","90","","90","","90","","2450.2","0.7","293.2","","293.2","","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C48 H42 B2 F8 N2 O2 P4 Pt -","- C48 H42 B2 F8 N2 O2 P4 Pt -","- C96 H84 B4 F16 N4 O4 P8 Pt2 -","2","0.5","","Pravat Bhattacharyya; Alexandra M. Z. Slawin; Martin B. Smith; J. Derek Woollins","Palladium(II) and Platinum(II) Complexes of the Heterodifunctional Ligand Ph2PNHP(O)Ph2","Inorganic Chemistry","1996","35","","3675","3682","10.1021/ic951247d","","","1.5418","CuKalpha","","","0.052","","","0.057","","","","","4.23","4.23","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324071","8.6078","0.0011","14.459","0.002","15.936","0.002","90","","104.096","0.002","90","","1923.7","0.4","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 Bi Br3 O3 -","- C12 H24 Bi Br3 O3 -","- C48 H96 Bi4 Br12 O12 -","4","1","","Claire J. Carmalt; William Clegg; Mark R. J. Elsegood; R. John Errington; Joanne Havelock; Philip Lightfoot; Nicholas C. Norman; Andrew J. Scott","Tetrahydrofuran Adducts of Bismuth Trichloride and Bismuth Tribromide","Inorganic Chemistry","1996","35","","3709","3712","10.1021/ic951635f","","","0.71073","MoKα","","0.0486","0.0406","","0.1069","0.1004","","","","1.125","1.14","1.14","","","","","has coordinates,has disorder,has Fobs","179343","2020-10-21","18:00:00",""
"4324072","8.018","0.002","9.038","0.002","18.701","0.003","90","","98.7","0.03","90","","1339.6","0.5","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 Bi Cl3 O2 -","- C8 H16 Bi Cl3 O2 -","- C32 H64 Bi4 Cl12 O8 -","4","1","","Claire J. Carmalt; William Clegg; Mark R. J. Elsegood; R. John Errington; Joanne Havelock; Philip Lightfoot; Nicholas C. Norman; Andrew J. Scott","Tetrahydrofuran Adducts of Bismuth Trichloride and Bismuth Tribromide","Inorganic Chemistry","1996","35","","3709","3712","10.1021/ic951635f","","","0.71073","MoKα","","0.0521","0.0395","","0.1208","0.1088","","","","1.047","1.051","1.051","","","","","has coordinates,has disorder,has Fobs","179343","2020-10-21","18:00:00",""
"4327710","10.191","0.002","12.55","0.003","15.038","0.004","85.36","0.02","75.73","0.03","89.88","0.02","1857.5","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H30 Au2 P2 S5 -","- C39 H30 Au2 P2 S5 -","- C78 H60 Au4 P4 S10 -","2","1","","Elena Cerrada; Peter G. Jones; Antonio Laguna; Mariano Laguna","Synthesis and Reactivity of Heteroleptic Complexes of Gold with 2-Thioxo-1,3-dithiole-4,5-dithiolate (dmit). X-ray Structure of [Au~2~(μ-dmit)(PPh~3~)~2~], NBu~4~[Au(dmit)(PPh~3~)] and PPN[Au(dmit)(C~6~F~5~)~2~]","Inorganic Chemistry","1996","35","","2995","3000","10.1021/ic950893+","","","0.71073","MoKα","","0.0336","0.0245","","0.0629","0.0571","","","","1.042","1.04","1.04","","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327711","17.134","0.004","30.08","0.005","17.048","0.004","90","","115.76","0.02","90","","7913","3","178","2","178","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C37 H51 Au N P S5 -","- C37 H51 Au N P S5 -","- C296 H408 Au8 N8 P8 S40 -","8","2","","Elena Cerrada; Peter G. Jones; Antonio Laguna; Mariano Laguna","Synthesis and Reactivity of Heteroleptic Complexes of Gold with 2-Thioxo-1,3-dithiole-4,5-dithiolate (dmit). X-ray Structure of [Au~2~(μ-dmit)(PPh~3~)~2~], NBu~4~[Au(dmit)(PPh~3~)] and PPN[Au(dmit)(C~6~F~5~)~2~]","Inorganic Chemistry","1996","35","","2995","3000","10.1021/ic950893+","","","0.71073","MoKα","","0.0648","0.0411","","0.1028","0.0898","","","","1.01","1.001","1.001","","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327712","12.911","0.003","34.194","0.007","11.657","0.003","90","","110.71","0.02","90","","4814","2","178","2","178","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H30 Au F10 N P2 S5 -","- C51 H30 Au F10 N P2 S5 -","- C204 H120 Au4 F40 N4 P8 S20 -","4","1","","Elena Cerrada; Peter G. Jones; Antonio Laguna; Mariano Laguna","Synthesis and Reactivity of Heteroleptic Complexes of Gold with 2-Thioxo-1,3-dithiole-4,5-dithiolate (dmit). X-ray Structure of [Au~2~(μ-dmit)(PPh~3~)~2~], NBu~4~[Au(dmit)(PPh~3~)] and PPN[Au(dmit)(C~6~F~5~)~2~]","Inorganic Chemistry","1996","35","","2995","3000","10.1021/ic950893+","","","0.71073","MoKα","","0.0605","0.0338","","0.087","0.0723","","","","1.019","1.009","1.009","","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327713","9.1464","0.0014","20.254","0.005","10.142","0.0015","90","","104.455","0.012","90","","1819.3","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Mg2 N4 S4 -","- C36 H48 Mg2 N4 S4 -","- C72 H96 Mg4 N8 S8 -","2","0.5","","Maurits D. Janssen; Remco van der Rijst; Anthony L. Spek; David M. Grove; Gerard van Koten","Synthesis and Characterization of Bis(arenethiolato)magnesium Complexes with Intramolecular Coordination. X-ray Structure of [Mg{S(C6H4-2-CH2NMe2)}2]2","Inorganic Chemistry","1996","35","","3436","3439","10.1021/ic951288+","","","0.71073","MoKa","","0.14","0.066","","0.1494","0.1264","","","","0.946","1.119","1.119","","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327714","18.376","0.006","11.786","0.004","20.473","0.007","90","","102.88","0.06","90","","4322","3","150","","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H45 F15 N2 O Pt -","- C44 H45 F15 N2 O Pt -","- C176 H180 F60 N8 O4 Pt4 -","4","1","","José María Casas; Larry R. Falvello; Juan Forniés; Antonio Martín; Alan J. Welch","Pentafluorophenyl Complexes of Platinum Containing Intramolecular Pt...H Hydrogen Bridging Interactions. Crystal Structures of [NBu4][Pt(C6F5)3(8-hydroxyquinaldine)] and [NBu4][Pt(C6F5)3(8-methylquinoline)]","Inorganic Chemistry","1996","35","","6009","6014","10.1021/ic960118+","","","0.71073","MoKα","","0.0505","0.0358","","0.092","0.0808","","","","1.054","1.047","1.047","","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327715","15.522","0.004","17.881","0.005","16.898","0.003","90","","91.15","0.02","90","","4689","2","293","2","293","2","","","","","","","synthesized","6","P 1 21/a 1","-P 2yab","14","","Bis[dichloroμ-bis(diphenylphosphino)amine)molybdenum(II)]","","- C48 H42 Cl4 Mo2 N2 P4 -","- C48 H42 Cl4 Mo2 N2 P4 -","- C192 H168 Cl16 Mo8 N8 P16 -","4","1","","Deirdre I. Arnold; F. Albert Cotton; Fritz E. Kühn","Preparation and Characterization of Bis[dihalo(μ-bis(diphenylphosphino)amine)molybdenum(II)] Complexes","Inorganic Chemistry","1996","35","","5764","5769","10.1021/ic960325+","","","0.7093","MoKα","","0.0812","0.0369","","0.0995","0.0845","","","","1.022","1.054","1.054","","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327716","8.978","0.002","13.629","0.003","15.369","0.003","79.34","0.02","86.31","0.02","72.43","0.01","1761.8","0.7","150","0.2","150","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H61 Ir N4 Os P2 -","- C32 H61 Ir N4 Os P2 -","- C64 H122 Ir2 N8 Os2 P4 -","2","1","","Miguel A. Esteruelas; Fernando J. Lahoz; Ana M. López; Enrique Oñate; Luis A. Oro; Natividad Ruiz; Eduardo Sola; José I. Tolosa","Quantum Mechanical Exchange Coupling in Trihydridoosmium Complexes Containing Azole Ligands","Inorganic Chemistry","1996","35","","7811","7817","10.1021/ic960446+","","","0.71073","MoKα","","0.0266","0.0237","","0.0361","0.0274","","","","","1.314","1.314","","","","","has coordinates","190778","2020-10-21","18:00:00",""
"4327717","19.654","0.002","19.865","0.002","14.792","0.001","90","","90","","90","","5775.2","0.9","293","2","293","2","","","","","","","synthesized","7","P 21 21 21","P 2ac 2ab","19","","Bis[dibromo(μ-bis(diphenylphosphino)amine)molybdenum(II)]","","- C56 H58 Br4 Mo2 N2 O2 P4 -","- C56 H42 Br4 Mo2 N2 O2 P4 -","- C224 H168 Br16 Mo8 N8 O8 P16 -","4","1","","Deirdre I. Arnold; F. Albert Cotton; Fritz E. Kühn","Preparation and Characterization of Bis[dihalo(μ-bis(diphenylphosphino)amine)molybdenum(II)] Complexes","Inorganic Chemistry","1996","35","","5764","5769","10.1021/ic960325+","","","1.54184","CuKα","","0.1043","0.0451","","0.1124","0.0932","","","","1.069","1.086","1.086","","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4331412","17.725","","5.822","","14.624","","90","","102.12","","90","","1475.48","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Cs (Au (S O3 F)4)","","- Au Cs F4 O12 S4 -","- Au Cs F4 O12 S4 -","- Au4 Cs4 F16 O48 S16 -","4","0.5","","Trotter, J.; Zhang, D.; Rettig, S.J.; Aubke, F.","Superacid anions: Crystal and molecular structures of (H3 O) (Sb2 F11), Cs (S O3 F), Cs (H (S O3 F)2), Cs (Au (S O3 F)4), Cs2 (Pt (S O3 F)6), and Cs (Sb (S O3 F)6)","Inorganic Chemistry","1996","35","","6113","6130","10.1021/ic960525l","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331439","14.389","","14.389","","9.915","","90","","90","","120","","1777.81","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Zr6 B Cl1.27 I10.73","","- B Cl1.27 I10.73 Zr6 -","- B Cl1.272 I10.728 Zr6 -","- B3 Cl3.816 I32.184 Zr18 -","3","0.166667","","Corbett, J.D.; Koeckerling, M.; Qi, R.-Y.","The first mixed-halide zirconium cluster compounds: Zr6 Cl1.6 I10.4 Be, Zr6 Cl1.3 I10.7 B, and Zr6 Cl11.5 I1.5 B. Matrix effects and halogen substitution in compact network structures","Inorganic Chemistry","1996","35","","1437","1443","10.1021/ic950889y","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331441","12.03","","12.03","","7.4991","","90","","90","","90","","1085.28","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","Zr6 B Cl11.47 I1.53","","- B Cl11.47 I1.53 Zr6 -","- B Cl11.472 I1.528 Zr6 -","- B2 Cl22.944 I3.056 Zr12 -","2","0.125","","Qi, R.-Y.; Koeckerling, M.; Corbett, J.D.","The first mixed-halide zirconium cluster compounds: Zr6 Cl1.6 I10.4 Be, Zr6 Cl1.3 I10.7 B, and Zr6 Cl11.5 I1.5 B. Matrix effects and halogen substitution in compact network structures","Inorganic Chemistry","1996","35","","1437","1443","10.1021/ic950889y","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331449","22.547","","6.614","","11.288","","90","","103.25","","90","","1638.52","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Cs2 K2 B10 O17","","- B10 Cs2 K2 O17 -","- B10 Cs2 K2 O17 -","- B40 Cs8 K8 O68 -","4","0.5","","Tu, J.-M.; Keszler, D.A.","New layered polyborates Cs2 M2 B10 O17 (M = Na, K)","Inorganic Chemistry","1996","35","","463","466","10.1021/ic950306k","","","","","","","","","","","","","","","","","","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331450","21.643","","6.558","","11.072","","90","","105.43","","90","","1514.86","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Cs2 Na2 (B10 O17)","","- B10 Cs2 Na2 O17 -","- B10 Cs2 Na2 O17 -","- B40 Cs8 Na8 O68 -","4","0.5","","Keszler, D.A.; Tu, J.-M.","New layered polyborates Cs2 M2 B10 O17 (M = Na, K)","Inorganic Chemistry","1996","35","","463","466","10.1021/ic950306k","","","","","","","","","","","","","","","","","","","","","has coordinates","179417","2020-10-21","18:00:00",""
"5000012","9.493","0.002","5.201","0.002","14.831","0.003","90","","99.84","0.02","90","","721.48","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H11 N O2 S -","- C5 H11 N O2 S -","- C20 H44 N4 O8 S4 -","4","2","","Dalhus, Bjørn; Görbitz, Carl Henrik","Crystal Structures of Hydrophobic Amino Acids. I. Redeterminations of L-Methionine and L-Valine at 120 K","Acta Chemica Scandinavica","1996","50","","544","548","10.3891/acta.chem.scand.50-0544","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000033","14.397","0.008","7.818","0.004","10.506","0.006","90","","99.7","0.03","90","","1165.6","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Shankland, Norman; Florence, Alastair J.; Cox, Philip J.; Sheen, David B.; Love, Steve W.; Stewart, Neil S.; Wilson, Chick C.","Crystal morphology of ibuprofen predicted from single-crystal pulsed neutron diffraction data","Chemical Communications","1996","","7","855","856","10.1039/CC9960000855","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000156","12.706","0.007","7.26","0.004","3.6077","0.0009","90","","121.01","0.04","90","","285.23","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C H6 N4 O3 -","- C H12 N6 O5 -","- C2 H24 N12 O10 -","2","0.5","","Katrusiak, A.; Szafrański, M.","Structural phase transitions in guanidinium nitrate","Journal of Molecular Structure","1996","378","3","205","223","10.1016/0022-2860(95)09172-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000161","16.882","0.003","17.619","0.002","8.497","0.001","90","","90","","90","","2527.38","","","","228","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Cholic acid acrylonitrile clathrate","","- C27 H43 N O5 -","- C27 H43 N O5 -","- C108 H172 N4 O20 -","4","1","","Nakano, Kazunori; Sada, Kazuki; Miyata, Mikiji","Novel additive effect of inclusion crystals on polymorphs‒cholic acid crystals having different hydrogen-bonded networks with the same organic guest","Chemical Communications","1996","","8","989","990","10.1039/CC9960000989","","","","","","","8.8","","","8.8","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000227","10.251","0.003","13.447","0.004","4.764","0.001","90","","104.98","0.01","90","","634.4","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Cobalt iron nickel arsenate hydrate (2.01/0.74/0.25/2/8)","Erythrite","?","- As2 Co2.01 Fe0.7401 H32 Ni0.2499 O16 -","- As4 Co4.02 Fe1.4802 H64 Ni0.4998 O32 -","2","0.25","","Wildner, M; Giester, G; Lengauer, C L; McCammon, C A","","European Journal of Mineralogy (1,1989-)","1996","8","","187","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"5000249","8.156","0.001","9.904","0.001","26.557","0.003","90","","90","","90","","2145.2","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O5 -","- C22 H30 O5 -","- C88 H120 O20 -","4","1","","Coval, Stephen J.; Patton, Robert W.; Petrin, Joanne M.; James, Linda; Rothofsky, Marnie L.; Lin, Stanley L.; Patel, Mahesh; Reed, John K.; McPhail, Andrew T.; Robert Bishop, W.","A cembranolide diterpene farnesyl protein transferase inhibitor from the marine soft coral Lobophytum cristagalli","Bioorganic & Medicinal Chemistry Letters","1996","6","7","909","912","10.1016/0960-894X(96)00142-4","","","","","","","","","","","","","","","","","","","","","has coordinates","175443","2020-10-21","18:00:00",""
"5000310","22.189","0.004","32.402","0.006","22.521","0.004","90","","115.6","0.004","90","","14602.4","4.6","108","2","108","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C123 H199.5 Cl9.5 Mn8 N8 O44.75 -","- C132.02 H120.08 Cl9.44 Mn8 N8 O40 -","- C528.08 H480.32 Cl37.76 Mn32 N32 O160 -","4","0.5","","Knapp, Michael J.; Hendrickson, David N.; Grillo, Vincent A.; Bollinger, John C.; Christou, George","Bis(bipyridine) Ligands in Manganese Carboxylate Cluster Chemistry: Self-Assembly of a Cluster Complex with Two Butterfly-Like [Mn~4~(μ3^-^O)~2~]^8+^ Cores","Angewandte Chemie, International Edition","1996","35","16","1818","1820","10.1002/anie.199618181","","","0.71073","MoKα","","0.1635","0.0914","","0.2025","0.1777","","","","1.49","1.824","1.824","","","","","has coordinates,has disorder","277867","2022-09-15","08:51:10",""
"6000525","13.794","","23.9","","8.4168","","90","","90","","90","","2774.82","","","","","","","","","","","","","3","P c c 2","","","","","","- Al O4 P -","","","","","","Mora, A. J.; Fitch, A. N.; Cole, M.; Goyal, R.; Jones, R. H.; Jobic, H.; Carr, S. W.","The structure of the calcined aluminophosphate AlPO(4)-5 determined by high-resolution X-ray and neutron powder diffraction","Journal of Materials Chemistry","1996","6","","1831","1835","10.1039/jm9960601831","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000529","15.3496","","15.3496","","15.3496","","90","","90","","90","","3616.52","","","","","","","","","","","","","4","I 2 3","","","","","","- Ge7 H7.2 K3 O19.1 -","","","","","","Roberts, M. A.; Fitch, A. N.","The crystal structures of hydrated and partially dehydrated M(3)HGe(7)O(16).nH(2)O, (M=K, Rb, Cs), determined from powder diffraction data using synchrotron radiation","Zeitschrift für Kristallographie","1996","211","6","378","387","10.1524/zkri.1996.211.6.378","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000530","15.46","","15.46","","15.46","","90","","90","","90","","3695.1","","","","","","","","","","","","","4","I 2 3","","","","","","- Ge7 H7.2 O19.1 Rb3 -","","","","","","Roberts, M. A.; Fitch, A. N.","The crystal structures of hydrated and partially dehydrated M(3)HGe(7)O(16).nH(2)O, (M=K, Rb, Cs), determined from powder diffraction data using synchrotron radiation","Zeitschrift für Kristallographie","1996","211","6","378","387","10.1524/zkri.1996.211.6.378","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000531","15.5666","","15.5666","","15.5666","","90","","90","","90","","3772.08","","","","","","","","","","","","","4","I 2 3","","","","","","- Cs3 Ge7 H5.6 O18.3 -","","","","","","Roberts, M. A.; Fitch, A. N.","The crystal structures of hydrated and partially dehydrated M(3)HGe(7)O(16).nH(2)O, (M=K, Rb, Cs), determined from powder diffraction data using synchrotron radiation","Zeitschrift für Kristallographie","1996","211","6","378","387","10.1524/zkri.1996.211.6.378","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000532","7.6699","","7.6699","","7.6699","","90","","90","","90","","451.2","","","","","","","","","","","","","4","P -4 3 m","","","","","","- Ge7 H2.38 O16.69 Rb3 -","","","","","","Roberts, M. A.; Fitch, A. N.","The crystal structures of hydrated and partially dehydrated M(3)HGe(7)O(16).nH(2)O, (M=K, Rb, Cs), determined from powder diffraction data using synchrotron radiation","Zeitschrift für Kristallographie","1996","211","6","378","387","10.1524/zkri.1996.211.6.378","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000533","7.7335","","7.7335","","7.7335","","90","","90","","90","","462.51","","","","","","","","","","","","","4","P -4 3 m","","","","","","- Cs3 Ge7 H3.4 O16.7 -","","","","","","Roberts, M. A.; Fitch, A. N.","The crystal structures of hydrated and partially dehydrated M(3)HGe(7)O(16).nH(2)O, (M=K, Rb, Cs), determined from powder diffraction data using synchrotron radiation","Zeitschrift für Kristallographie","1996","211","6","378","387","10.1524/zkri.1996.211.6.378","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000563","6.685","","11.6004","","12.8271","","90","","99.974","","90","","979.69","","","","","","","","","","","","","2","P 1 21/c 1","","","","","","- O22 Pr12 -","","","","","","Zhang, J.; von Dreele, R. B.; Eyring, L.","Structures in the oxygen-deficient fluorite-related R(n)O(2n-2) homologous series: Pr12O22","Journal of Solid State Chemistry","1996","122","","53","58","10.1006/jssc.1996.0081","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000595","4.206","","4.206","","13.673","","90","","90","","90","","241.88","","","","","","","","","","","","","3","I 4/m m m","","","","","","- Cu F4 Tl2 -","","","","","","Nunez, P.; Moralesescobar, M.; Roisnel, T.; Kiat, J. M.; Saezpuche, R.; Guengard, H.; Grannec, J.; Tressaud, A.","Structural and magnetic phase transitions of the 2D ferromagnetic fluoride Tl2CuF4","Journal of Solid State Chemistry","1996","122","","87","94","10.1006/jssc.1996.0086","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000596","4.182","","4.183","","13.492","","90","","94.564","","90","","235.27","","","","","","","","","","","","","3","I2/m","","","","","","- Cu F4 Tl2 -","","","","","","Nunez, P.; Moralesescobar, M.; Roisnel, T.; Kiat, J. M.; Saezpuche, R.; Guengard, H.; Grannec, J.; Tressaud, A.","Structural and magnetic phase transitions of the 2D ferromagnetic fluoride Tl2CuF4","Journal of Solid State Chemistry","1996","122","","87","94","10.1006/jssc.1996.0086","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000667","12.8646","","10.4374","","7.0676","","90","","90","","90","","948.99","","","","","","","","","","","","","3","P c a m","","","","","","- O23 P6 Th4 -","","","","","","Benard, P.; Brandel, V.; Dacheux, N.; Jaulmes, S.; Launay, S.; Lindecker, C.; Genet, M.; Louer, D.; Quarton, M.","Th-4(PO4)(4)P2O7, a new thorium phosphate: Synthesis, characterization, and structure determination","Chemistry of Materials","1996","8","","181","188","10.1021/cm950302d","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000688","3.373","","3.373","","17.6756","","90","","90","","120","","174.16","","","","","","","","","","","","","3","R -3 m","","","","","","- N2 Sr Zr -","","","","","","Gregory, D. H.; Barker, M. G.; Edwards, P. P.; Siddons, D. J.","Synthesis and structure of two new layered ternary nitrides, SrZrN2 and SrHfN2","Inorganic Chemistry","1996","35","","7608","7613","10.1021/ic9607649","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000689","3.3448","","3.3448","","17.6779","","90","","90","","120","","171.28","","","","","","","","","","","","","3","R -3 m","","","","","","- Hf N2 Sr -","","","","","","Gregory, D. H.; Barker, M. G.; Edwards, P. P.; Siddons, D. J.","Synthesis and structure of two new layered ternary nitrides, SrZrN2 and SrHfN2","Inorganic Chemistry","1996","35","","7608","7613","10.1021/ic9607649","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000690","7.0878","","9.0362","","12.702","","90","","90","","90","","813.52","","","","","","","","","","","","","3","C m c a","","","","","","- O9 P2 U2 -","","","","","","Benard, P.; Louer, D.; Dacheux, N.; Brandel, V.; Genet, M.","Synthesis, ab initio structure determination from powder diffraction and spectroscopic properties of a new diuranium oxide phosphate","Anales de Quimica International Edition","1996","92","","79","87","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000700","11.05","","8.977","","17.859","","90","","100.877","","90","","1739.71","","","","","","","","","","","","","5","C 1 c 1","","","","","","- Ce H8 N5 O19 Rb2 -","","","","","","Audebrand, N.; Auffredic, J. P.; Louer, M.; Guillou, N.; Louer, D.","Temperature-dependent X-ray diffraction and crystal structure of CeRb2(NO3)(5).4H(2)O","Solid State Ionics","1996","84","","323","333","10.1016/0167-2738(96)00082-3","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000706","7.519","0.002","10.054","0.003","8.244","0.003","90","","105.86","0.03","90","","599.49","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- H3 O8 P2 V -","- O8 P2 V -","- O32 P8 V4 -","4","1","","Elbadraoui, A.; Pivan, J. Y.; Maunaye, M.; Louer, M.; Louer, D.","Hydrothermal synthesis, structure refinement and properties of the new vanadium(III) diphosphate H3OVP2O7","Journal of Alloys and Compounds","1996","245","","47","53","10.1016/S0925-8388(96)02482-6","","","","","","","","","","","","","","","","","","","","","has coordinates","203576","2020-10-21","18:00:00",""
"6000715","9.572","","9.599","","10.307","","100.75","","109.04","","101.76","","843.03","","","","","","","","","","","","","3","P -1","","","","","","- C10 H7 Br -","","","","","","Sane, J.; Rius, J.; Louer, D.; Chanh, N. B.","Phase transitions in 2-bromonaphthalene. The structure of the low temperature phase from X-ray powder diffraction","Journal of Physics and Chemistry of Solids","1996","57","","1251","1257","10.1016/0022-3697(95)00312-6","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000728","6.7778","","11.3673","","6.5843","","90","","90.644","","90","","507.26","","","","","","","","","","","","","4","P 1 21/m 1","","","","","","- H8 La N3 O13 -","","","","","","Gobichon, A. E.; Louer, M.; Auffredic, J. P.; Louer, D.","Structure determination of two polymorphic phases of La(NO3)(3).4H(2)O from X-ray powder diffraction","Journal of Solid State Chemistry","1996","126","","127","134","10.1006/jssc.1996.0320","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000729","11.834","","12.973","","13.531","","90","","90","","90","","2077.31","","","","","","","","","","","","","4","P b c a","","","","","","- H8 La N3 O13 -","","","","","","Gobichon, A. E.; Louer, M.; Auffredic, J. P.; Louer, D.","Structure determination of two polymorphic phases of La(NO3)(3).4H(2)O from X-ray powder diffraction","Journal of Solid State Chemistry","1996","126","","127","134","10.1006/jssc.1996.0320","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000748","6.639","","12.839","","13.266","","90","","90","","90","","1130.77","","","","","","","","","","","","","3","P c c n","","","","","","- Fe2 O7 Se2 -","","","","","","Giester, G.","Crystal structure of Fe2O(SeO3)(2), a new oxoselenite compound with ferric iron in distorted tetrahedral coordination","Zeitschrift für Kristallographie","1996","211","9","603","606","10.1524/zkri.1996.211.9.603","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000784","4.127","","4.127","","9.239","","90","","90","","90","","157.36","","","","","","","","","","","","","3","P 4/m m m","","","","","","- La N O4 -","","","","","","Gobichon, A. E.; Auffredic, J. P.; Louer, D.","Thermal decomposition of neutral and basic lanthanum nitrates studied with temperature-dependent powder diffraction and thermogravimetric analysis","Solid State Ionics","1996","93","","51","64","10.1016/S0167-2738(96)00498-5","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000785","10.6946","","19.584","","7.102","","90","","98.48","","90","","1471.2","","","","","","","","","","","","","5","P21 or P21/m","","","","","","- C28 H20 Cl4 Cu2 O10 -","","","","","","Dearmas, H. N.; Quevedo, A. P.; Velar, R. C.; Rizo, J. C.; Hernandez, R. P.","Precise lattice parameters determination of the dihydrated copper complex Cu-2(C7H4ClO2)(4)X2H(2)O, from X-ray powder diffraction","Revista Mexicana de Fisica","1996","42","","73","81","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7209374","12.1549","","10.7375","","18.517","","90","","92.326","","90","","2414.72","","","","","","","","","","","","","3","P 1 c 1","P -2yc","7","","Ag8 (Ge3 O10)","","- Ag8 Ge3 O10 -","- Ag8 Ge3 O10 -","- Ag64 Ge24 O80 -","8","4","","Jansen, M.; Linke, C.","Darstellung, Kristallstruktur und physikalische Eigenschaften von Oktasilbertrigermanat, Ag8 Ge3 O10","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","1591","1597","","","","","","","","","","","","","","","","","","","","","","has coordinates","180424","2020-10-21","18:00:00",""
"7209384","7.552","","4.722","","8.423","","90","","90","","90","","300.369","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Eu Au In","","- Au Eu In -","- Au Eu In -","- Au4 Eu4 In4 -","4","0.5","","Poettgen, R.","Metamagnetism in Eu Pd In and Eu Au In","Journal of Materials Chemistry","1996","6","","63","67","10.1039/jm9960600063","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209397","4.195","","4.195","","3.972","","90","","90","","120","","60.535","","","","","","","","","","","","","3","P -6 m 2","P -6 2","187","","U Au Si","","- Au Si U -","- Au Si U -","- Au Si U -","1","0.0833333","","Troc, R.; Poettgen, R.; Hoffmann, R.D.; Kaczorowski, D.; Tran, V.H.","Crystal structure and physical properties of U Au Si and U Au2","Journal of Materials Chemistry","1996","6","","429","434","10.1039/jm9960600429","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209402","5.9868","","5.9868","","10.043","","90","","90","","90","","359.959","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","Ca (Au2 O4)","","- Au2 Ca O4 -","- Au2 Ca O4 -","- Au8 Ca4 O16 -","4","0.25","","Louzikova, A.; Range, K.J.","Hochdrucksynthese und Einkristall-Strukturverfeinerung von Calciumaurat(III), Ca Au2 O4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","747","750","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209407","11.922","","6.1242","","11.917","","90","","90","","90","","870.092","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Gd4 Au2 O9","","- Au2 Gd4 O9 -","- Au2 Gd4 O9 -","- Au8 Gd16 O36 -","4","0.5","","Steiner, C.; Range, K.J.; Andratschke, M.","Hochdrucksynthese und Kristallstruktur von Nd4 Au2 O9 und Gd4 Au2 O9","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","811","816","","","","","","","","","","","","","","","","","","","","","","has coordinates","180425","2020-10-21","18:00:00",""
"7209410","11.938","","6.126","","11.928","","90","","90","","90","","872.321","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Nd4 Au2 O9","","- Au2 Nd4 O9 -","- Au2 Nd4 O9 -","- Au8 Nd16 O36 -","4","0.5","","Range, K.J.; Steiner, C.; Andratschke, M.","Hochdrucksynthese und Kristallstruktur von Nd4 Au2 O9 und Gd4 Au2 O9","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","811","816","","","","","","","","","","","","","","","","","","","","","","has coordinates","180425","2020-10-21","18:00:00",""
"7209431","9.2507","","12.4167","","3.0524","","90","","90","","90","","350.608","","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","","Co5 Mn (B O3)2 O4","","- B2 Co5 Mn O10 -","- B2 Co5 Mn O10 -","- B4 Co10 Mn2 O20 -","2","0.25","","Bluhm, K.; Utzolino, A.","Synthese und roentgenographische Charakterisierung von zwei neuen Verbindungen des Ludwigit-Strukturtyps: Co5 Sn (B O3)2 O4 und Co5 Mn (B O3)2 O4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","305","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209432","9.444","","12.338","","3.1054","","90","","90","","90","","361.841","","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","","Co5 Sn (B O3)2 O4","","- B2 Co5 O10 Sn -","- B2 Co5 O10 Sn -","- B4 Co10 O20 Sn2 -","2","0.25","","Bluhm, K.; Utzolino, A.","Synthese und roengenographische Charakterisierung von zwei neuen Verbindungen des Ludwigit-Strukturtyps: Co5 Sn (B O3)2 O4 und Co5 Mn (B O3)2 O4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","305","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209436","3.1897","","6.198","","9.367","","104.47","","90.6","","91.98","","179.167","","","","","","","","","","","","","4","P -1","-P 1","2","","Mn Mg (B2 O5)","","- B2 Mg Mn O5 -","- B2 Mg Mn O5 -","- B4 Mg2 Mn2 O10 -","2","1","","Bluhm, K.; Utzolino, A.","Synthese und Kristallstruktur von manganhaltigen Pyroboraten: Mn Co (B2 O5) und Mn Mg (B2 O5)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","912","916","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209456","3.2094","","6.192","","9.39","","104.38","","90.76","","92.046","","180.595","","","","","","","","","","","","","4","P -1","-P 1","2","","Mn Co (B2 O5)","","- B2 Co Mn O5 -","- B2 Co Mn O5 -","- B4 Co2 Mn2 O10 -","2","1","","Bluhm, K.; Utzolino, A.","Synthese und Kristallstruktur von manganhaltigen Pyroboraten: Mn Co (B2 O5) und Mn Mg (B2 O5)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","912","916","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209468","11.075","","3.1104","","5.4293","","90","","95.1","","90","","186.286","","","","","","","","","","","","","4","P 1 2/m 1","-P 2y","10","","Mn2 Sr (B O3) O2","","- B Mn2 O5 Sr -","- B Mn2 O5 Sr -","- B2 Mn4 O10 Sr2 -","2","0.5","","Utzolino, A.; Bluhm, K.","Neue Einsichten zur Stabilisierung des Hulsit-Strukturtyps am Beispiel von Mn(II)2 Mn(III) (B O3) O2 und Mn(II) Sr Mn(III) (B O3) O2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","1433","1438","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209469","9.26","","12.415","","3.0496","","90","","90","","90","","350.591","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Mn2 Mn (B O3) O2","","- B Mn3 O5 -","- B Mn3 O5 -","- B4 Mn12 O20 -","4","0.5","","Utzolino, A.; Bluhm, K.","Neue Einsichten zur Stabilisierung des Hulsit-Strukturtyps am Beispiel von Mn(II)2 Mn(III) (B O3) O2 und Mn(II) Sr Mn(III) (B O3) O2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","1433","1438","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209482","8.7452","","7.614","","9.5001","","90","","92.798","","90","","631.819","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ce Zn (B5 O10)","","- B5 Ce O10 Zn -","- B5 Ce O10 Zn -","- B20 Ce4 O40 Zn4 -","4","1","","Bluhm, K.; Busche, S.","Synthese und Kristallstruktur von Lanthanoidzinkboraten Ln Zn (B5 O10) mit Ln = Ce, Nd, Tb","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","671","676","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209487","8.686","","7.609","","9.46","","90","","92.99","","90","","624.377","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Nd Zn (B5 O10)","","- B5 Nd O10 Zn -","- B5 Nd O10 Zn -","- B20 Nd4 O40 Zn4 -","4","1","","Busche, S.; Bluhm, K.","Synthese und Kristallstruktur von Lanthanoidzinkboraten Ln Zn (B5 O10) mit Ln = Ce, Nd, Tb","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","671","676","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209488","8.582","","7.605","","9.393","","90","","93.561","","90","","611.861","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tb Zn (B5 O10)","","- B5 O10 Tb Zn -","- B5 O10 Tb Zn -","- B20 O40 Tb4 Zn4 -","4","1","","Bluhm, K.; Busche, S.","Synthese und Kristallstruktur von Lanthanoidzinkboraten Ln Zn (B5 O10) mit Ln = Ce, Nd, Tb","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","671","676","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209489","7.072","","7.072","","16.738","","90","","90","","120","","724.968","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Ba2 Co (B3 O6)2","","- B6 Ba2 Co O12 -","- B6 Ba2 Co O12 -","- B18 Ba6 Co3 O36 -","3","0.166667","","Utzolino, A.; Bluhm, K.","Die Synthese und Kristallstruktur von: Ba2 Mn (B3 O6)2 und Ba2 Co (B3 O6)2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","907","911","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209490","7.1101","","7.1101","","16.949","","90","","90","","120","","742.038","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Ba2 Mn (B3 O6)2","","- B6 Ba2 Mn O12 -","- B6 Ba2 Mn O12 -","- B18 Ba6 Mn3 O36 -","3","0.166667","","Utzolino, A.; Bluhm, K.","Die Synthese und Kristallstruktur von: Ba2 Mn (B3 O6)2 und Ba2 Co (B3 O6)2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","907","911","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209491","7.155","","7.205","","11.789","","78.96","","85.45","","60.12","","517.113","","","","","","","","","","","","","4","P -1","-P 1","2","","Ba2 Zn (B3 O6)2","","- B6 Ba2 O12 Zn -","- B6 Ba2 O12 Zn -","- B12 Ba4 O24 Zn2 -","2","1","","Bluhm, K.; Busche, S.","Zur Synthese und Kristallstruktur von Dibariumzink-bis(cyclo-triborat) Ba2 Zn (B3 O6)2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","309","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209498","7.052","","7.125","","18.803","","93.43","","90.72","","119.57","","819.277","","","","","","","","","","","","","5","P -1","-P 1","2","","Ba2 K Zn3 (B3 O6) (O (B3 O6)2)","","- B9 Ba2 K O19 Zn3 -","- B9 Ba2 K O19 Zn3 -","- B18 Ba4 K2 O38 Zn6 -","2","1","","Bluhm, K.; Busche, S.","Zur Synthese und Kristallstruktur von Dibariumkaliumtrizinkborat Ba2KZn3(B3O6)(B6O13)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","319","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209504","4.51","","7.248","","9.388","","90","","91.386","","90","","306.79","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ni Ho2 (B2 O5)2","","- B4 Ho2 Ni O10 -","- B4 Ho2 Ni O10 -","- B8 Ho4 Ni2 O20 -","2","0.5","","Wiesch, A.; Bluhm, K.","Synthese und Kristallstruktur von NiHo2(B2O5)2, das erste Nickellanthanoidborat mit einem infinity2(B2O5)4‒Anion","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","677","680","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7222529","6.809","","7.104","","12.399","","95.29","","98.05","","85.31","","589.871","","","","","","","","","","","","","3","P -1","-P 1","2","","(Te4) (Ta Br6)2","","- Br12 Ta2 Te4 -","- Br12 Ta2 Te4 -","- Br12 Ta2 Te4 -","1","0.5","","Beck, J.; Bock, G.","The (Te4)2+ polycation in the structures of Te4 (Nb Cl6)2, Te4 (Ta Cl6)2, Te4 (Ta Br6)2 and Te4 (Ta2O Br10)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","119","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","162180","2020-10-21","18:00:00",""
"7222530","6.922","","8.772","","9.17","","81.91","","86.39","","74.23","","530.332","","","","","","","","","","","","","4","P -1","-P 1","2","","(Te4) ((Ta Br5)2 O)","","- Br10 O Ta2 Te4 -","- Br10 O Ta2 Te4 -","- Br10 O Ta2 Te4 -","1","0.5","","Beck, J.; Bock, G.","The (Te4)2+ polycation in the structures of Te4 (Nb Cl6)2, Te4 (Ta Cl6)2, Te4 (Ta Br6)2 and Te4 (Ta2O Br10)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","119","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222531","6.512","","7.472","","11.065","","100.33","","102.29","","89.24","","517.358","","","","","","","","","","","","","3","P -1","-P 1","2","","(Te4) (Ta Cl6)2","","- Cl12 Ta2 Te4 -","- Cl12 Ta2 Te4 -","- Cl12 Ta2 Te4 -","1","0.5","","Beck, J.; Bock, G.","The (Te4)2+ polycation in the structures of Te4 (Nb Cl6)2, Te4 (Ta Cl6)2, Te4 (Ta Br6)2 and Te4 (Ta2O Br10)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","119","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","162190","2020-10-21","18:00:00",""
"7222633","4.708","","16.223","","7.563","","90","","90","","90","","577.646","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","(P (N H2)4) Cl","","- Cl H8 N4 P -","- Cl H8 N4 P -","- Cl4 H32 N16 P4 -","4","0.5","","Horstmann, S.; Schnick, W.","Synthese, Kristallstruktur und Eigenschaften von Tetraaminophosphoniumchlorid (P(NH2)4)Cl","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","127","132","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222706","6.5463","","6.5463","","6.5463","","90","","90","","90","","280.535","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Eu Pt Ge","","- Eu Ge Pt -","- Eu Ge Pt -","- Eu4 Ge4 Pt4 -","4","0.333333","","Poettgen, R.; Muellmann, R.; Kremer, R.K.; Mosel, B.D.; Schnelle, W.","Magnetic, electrical and 151Eu Moessbauer properties of Eu Pt Ge","Journal of Materials Chemistry","1996","6","","635","638","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103399","6.085","","13.92","","24.33","","90","","90","","90","","2060.83","","","","","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","Rb2 Ag (Nb Se4)","","- Ag Nb Rb2 Se4 -","- Ag Nb Rb2 Se4 -","- Ag8 Nb8 Rb16 Se32 -","8","0.25","","Bensch, W.; Weidlich, C.; Duerichen, P.","Crystal structure of dirubidium silver niobium tetrasulfide, Rb2 Ag Nb S4","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","932","932","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103414","12.595","","12.595","","9.119","","90","","90","","120","","1252.78","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","Ag8 I4 (V2 O7)","","- Ag8 I4 O7 V2 -","- Ag8.004 I4 O7 V2 -","- Ag24.012 I12 O21 V6 -","3","0.25","","Adams, S.","Crystal structure and Ag+ conductivity of the solid electrolyte Ag8 I4 V2 O7","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","770","776","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103422","17.43","","4.587","","9.044","","90","","113.33","","90","","663.961","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","K (Ag3 Te2)","","- Ag3 K Te2 -","- Ag3 K Te2 -","- Ag12 K4 Te8 -","4","0.5","","Klepp, K.O.; Sparlinek, W.","Crystal structure of potassium telluro triargentate(I), K Ag3 Te2","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","393","393","10.1524/zkri.1996.211.6.393","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103428","6.782","","8.332","","6.744","","90","","90","","90","","381.087","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Rb (Au Se)","","- Au Rb Se -","- Au Rb Se -","- Au4 Rb4 Se4 -","4","0.25","","Klepp, K.O.; Weithaler, C.","Crystal structure of rubidiumselenoaurate(I), Rb Au Se","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","549","549","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103435","4.375","","4.375","","8.343","","90","","90","","90","","159.69","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Eu Au1.862 Ga5.138","","- Au1.862 Eu Ga5.138 -","- Au1.862 Eu Ga5.138 -","- Au1.862 Eu Ga5.138 -","1","0.0625","","Friedrich, T.; Cordier, G.; Dietrich, C.","Crystal structures of europium digold pentagallide, Eu Au2 Ga5 and strontium digold pentagallide, Sr Au2 Ga5","Zeitschrift fuer Kristallographie - New Crystal Structures","1996","211","","627","628","10.1524/zkri.1996.211.9.627","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103438","8.109","","8.109","","21.055","","90","","90","","120","","1199","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Yb Au3 Ga7","","- Au3 Ga7 Yb -","- Au3 Ga7 Yb -","- Au18 Ga42 Yb6 -","6","0.166667","","Cordier, G.; Dietrich, C.","Crastal structure of ytterbium gold gallium, Yb Au3 Ga7 in the Sc Rh3 Si7-type","Zeitschrift fuer Kristallographie - New Crystal Structures","1996","211","","118","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103441","17.506","","15.162","","3.968","","90","","90","","90","","1053.21","","","","","","","","","","","","","4","P 21 m a","P -2a 2a","26","","K3 (Nb3 O6 (B O3)2)","","- B2 K3 Nb3 O12 -","- B2 K3 Nb3 O12 -","- B8 K12 Nb12 O48 -","4","1","","Held, P.; Becker, P.; Bohaty, L.","Crystal growth of ferroelectric and ferroelastic K3 (Nb3 O6 (B O3)2) and crystal structure of the room temperature modification","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","449","452","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8103449","7.456","","7.456","","7.456","","90","","90","","90","","414.493","","","","","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","Li1 Sr4 (B N2)3","","- B3 Li N6 Sr4 -","- B3 Li N6 Sr4 -","- B6 Li2 N12 Sr8 -","2","0.0208333","","Peters, K.; von Schnering, H.G.; Curda, J.; Herterich, U.; Somer, M.","Crystal structure of lithium tetrastrontium tris(dinitridoborate), Li Sr4 (B N2)3","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","54","54","10.1524/zkri.1996.211.1.54","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103464","37.384","","12.568","","6.2","","90","","90","","90","","2913.02","","","","","","","","","","","","","5","P n n m","-P 2 2n","58","","Mg1.2456 Mn1.567 Sb0.1875 O2 B O3","","- B Mg1.2456 Mn1.567 O5 Sb0.1875 -","- B Mg1.24563 Mn1.56687 O5 Sb0.1875 -","- B32 Mg39.86 Mn50.14 O160 Sb6 -","32","4","","Thomasson, R.; Sotofte, I.; Sjoevall, R.; Bovin, J.O.; Norrestam, R.; Carlsson, A.","The crystal structure of a blatterite mineral, Mg1.33 Mn1.44 Fe0.05Sb0.17 O2 B O3, a combined single crystal X-ray and HREM study","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","440","448","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103491","8.7099","","8.6861","","12.314","","90","","90","","90","","931.616","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Mn3 (B7 O13 Br)","","- B7 Br Mn3 O13 -","- B7 Br Mn3 O13 -","- B28 Br4 Mn12 O52 -","4","1","","Kubel, F.; Crottaz, O.","Crystal structure of manganese bromine boracite, Mn3 B7 O13 Br","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","924","924","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103840","10.3458","","10.3458","","10.3458","","90","","90","","90","","1107.37","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Li2 (Zn Cl4)","","- Cl4 Li2 Zn -","- Cl4 Li2 Zn -","- Cl32 Li16 Zn8 -","8","0.0416667","","Sassmannshausen, M.; Lutz, H.D.; Solinas, I.","Crystal structure of dilithium zinc tetrachloride, Li2 Zn Cl4 with spinel- and olivine-type structure","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","819","820","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103841","8.3043","","8.3043","","8.3043","","90","","90","","90","","572.676","","","","","","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","","Ca Yb2 S4","","- Ca S4 Yb2 -","- Ca0.99 S4 Yb2.01 -","- Ca3.96 S16 Yb8.04 -","4","0.0833333","","Li, P.-Y.; Range, K.J.; Lange, K.G.; Andratschke, M.","Crystal Structure of calcium ytterbium sulfide (1/2/4), high pressure modification , Ca Yb2 S","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","814","814","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103848","9.987","","8.6653","","13.816","","90","","90.198","","90","","1195.63","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Cs Ba2 Br5","","- Ba2 Br5 Cs -","- Ba2 Br5 Cs -","- Ba8 Br20 Cs4 -","4","1","","Schilling, G.; Meyer, G.","Crystal structure of cesium dibarium pentabromide, Cs Ba2 Br5 and didysprosium(II) pentabromide, Li Dy2 Br5","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","255","256","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103849","16.434","","6.958","","7.686","","90","","95.65","","90","","874.607","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Li Dy2 Br5","","- Br5 Dy2 Li -","- Br5 Dy2 Li -","- Br20 Dy8 Li4 -","4","0.5","","Schilling, G.; Meyer, G.","Crystal structure of cesium dibarium pentabromide, Cs Ba2 Br5 and didysprosium(II) pentabromide, Li Dy2 Br5","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","255","256","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103854","9.269","","9.269","","6.882","","90","","90","","120","","512.048","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Pr4 N S3 Cl3","","- Cl3 N Pr4 S3 -","- Cl3 N Pr4 S3 -","- Cl6 N2 Pr8 S6 -","2","0.166667","","Schleid, T.; Meyer, M.","Cystal structure of tetrapraseodymium(III) nitride trisulfide trichloride , Pr4 N S3 Cl3","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","187","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103855","10.099","","10.099","","4.843","","90","","90","","90","","493.937","","","","","","","","","","","","","3","P 4 b m","P 4 -2ab","100","","Pr3 (Si6 N11)","","- N11 Pr3 Si6 -","- N11 Pr3 Si6 -","- N22 Pr6 Si12 -","2","0.25","","Schlieper, T.; Schnick, W.","Crystal structure of tripraseodymium hexasiliconundeanitride, Pr3 Si6 N11","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","254","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","161456","2020-10-21","18:00:00",""
"8103858","7.3226","","7.3226","","17.9982","","90","","90","","120","","835.777","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs3 (Ti2 Cl9)","","- Cl9 Cs3 Ti2 -","- Cl9 Cs3 Ti2 -","- Cl18 Cs6 Ti4 -","2","0.0833333","","Gloger, T.; Hinz, D.J.; Meyer, G.; Lachgar, A.","The crystal structure of tricesium nonachlorodititanate(III), Cs3 ti2 Cl9","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","821","821","","","","","","","","","","","","","","","","","","","","","","has coordinates","161494","2020-10-21","18:00:00",""
"8103864","24.426","","8.4636","","8.5007","","90","","90","","90","","1757.37","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Ce5 B4 C5","","- C5 B4 Ce5 -","- C5 B4 Ce5 -","- C40 B32 Ce40 -","8","2","","Gougeon, P.; Bauer, J.; Halet, J.F.; Ansel, D.","Crystal structure of pentacerium tetraboride pentacarbide, Ce5 B4 C5","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","822","822","","","","","","","","","","","","","","","","","","","","","","has coordinates","161609","2020-10-21","18:00:00",""
"8103865","8.695","","11.313","","5.836","","76.02","","92.45","","71.81","","524.86","","","","","","","","","","","","","4","P -1","-P 1","2","","Na9 (Ga (O H)6)2 (O H)3 (H2 O)6","","- Ga2 H27 Na9 O21 -","- Ga2 Na9 O21 -","- Ga2 Na9 O21 -","1","0.5","","Loeper, M.; Gessner, W.; Schneider, M.; Reck, G.","Crystal structure of nonasodium bis(hexahydroxogallate) trihydroxide hexahydrate, Na9 (Ga (O H)6)2 (O H)3 (H2 O)6","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","709","710","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103866","8.4785","","8.4785","","25.35","","90","","90","","90","","1822.28","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Ce10 B9 C12","","- C12 B9 Ce10 -","- C12 B9 Ce10 -","- C48 B36 Ce40 -","4","0.5","","Gougeon, P.; Ansel, D.; Halet, J.F.; Bauer, J.","Crystal structure of decacerium nonaboride dodecaboride, Ce10 B9 C12","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","825","825","","","","","","","","","","","","","","","","","","","","","","has coordinates","161614","2020-10-21","18:00:00",""
"8103867","8.671","","8.656","","19.953","","90","","94.45","","90","","1493.08","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","La15 B14 C19","","- C19 B14 La15 -","- C19 B14 La15 -","- C38 B28 La30 -","2","0.5","","Gougeon, P.; Ansel, D.; Halet, J.F.; Bauer, J.","Crystal structure of pentadecalanthanum tetradecaboride nonadecacarbide, La15 B14 C19","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","823","824","","","","","","","","","","","","","","","","","","","","","","has coordinates","161619","2020-10-21","18:00:00",""
"8103871","7.966","","7.794","","13.42","","90","","90","","90","","833.208","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ag (B F4) (H2 O)","","- Ag B F4 H2 O -","- Ag B F4 H2 O -","- Ag8 B8 F32 H16 O8 -","8","1","","Ludwig, W.; Wartchow, R.","Crystal structure of silver tetrafluoroborate monohydrate, Ag (B F4) (H2 O)","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","631","631","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103874","7.0585","","7.0585","","17.291","","90","","90","","120","","746.063","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","In3 (Ti2 Cl9)","","- Cl9 In3 Ti2 -","- Cl9 In3 Ti2 -","- Cl18 In6 Ti4 -","2","0.0833333","","Bajan, B.; Meyer, H.J.","Crystal structure of triindium nonachloro dititanate, In3 Ti2 Cl9","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","817","817","","","","","","","","","","","","","","","","","","","","","","has coordinates","161774","2020-10-21","18:00:00",""
"8103875","11.898","","6.775","","8.1446","","90","","131.53","","90","","491.482","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Ta Cl4","","- Cl4 Ta -","- Cl4 Ta -","- Cl16 Ta4 -","4","0.5","","Bajan, B.; Meyer, H.J.","Crystal structure of tantalum tetrachloride, Ta Cl4","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","818","818","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103882","15.466","","11.697","","8.105","","90","","90","","90","","1466.24","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4)2 (Sc (N H3) I5)","","- H11 I5 N3 Sc -","- H11 I5 N3 Sc -","- H44 I20 N12 Sc4 -","4","0.5","","Simon, M.; Meyer, G.","Crystal structure of diammonium monoamminopentaiodo-scandat(III), (NH4)2(Sc(NH3)I5)","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","327","327","","","","","","","","","","","","","","","","","","","","","","has coordinates","189061","2020-10-21","18:00:00",""
"8103884","9.247","","9.28","","9.282","","119.71","","95.5","","105.76","","639.993","","","","","","","","","","","","","4","P -1","-P 1","2","","Rb2 Cu2 (Nb6 Cl18)","","- Cl18 Cu2 Nb6 Rb2 -","- Cl18 Cu2 Nb6 Rb2 -","- Cl18 Cu2 Nb6 Rb2 -","1","0.5","","Sitar, J.; Lachgar, A.; Meyer, H.J.","Crystal Structure of dirubidium dicopper octadecachlorohexaniobate(4-), Rb2 Cu2 (Nb6 Cl18)","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","395","395","","","","","","","","","","","","","","","","","","","","","","has coordinates","162009","2020-10-21","18:00:00",""
"8103891","12.383","","14.4","","3.9608","","90","","90","","90","","706.271","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Yb Co2 Al8","","- Al8 Co2 Yb -","- Al8 Co2 Yb -","- Al32 Co8 Yb4 -","4","0.5","","Manyako, M.B.; Bodak, O.I.; Yanson, T.I.; Cerny, R.; Yvon, K.","Crystal structure of ytterbium cobalt aluminium, Yb Co2 Al8","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","216","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103892","15.834","","4.069","","18.18","","90","","112.84","","90","","1079.47","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Yb4 Ni6 Al23","","- Al23 Ni6 Yb4 -","- Al23 Ni6 Yb4 -","- Al46 Ni12 Yb8 -","2","0.25","","Manyako, M.B.; Yanson, T.I.; Yvon, K.; Bodak, O.I.; Cerny, R.","Crystal structure of ytterbium nickel aluminium, Yb4 Ni6 Al23.","Zeitschrift fuer Kristallographie - New Crystal Structures","1996","211","","219","219","","","","","","","","","","","","","","","","","","","","","","has coordinates","162117","2020-10-21","18:00:00",""
"8103905","5.253","","5.253","","12.988","","90","","90","","120","","310.376","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Sr3 As1.08 (B O3)0.92","","- As1.08 B0.92 O2.76 Sr3 -","- As1.08 B0.92 O2.76 Sr3 -","- As2.16 B1.84 O5.52 Sr6 -","2","0.0833333","","Somer, M.; Carillo-Cabrera, W.; Peters, K.; Peters, E.M.; von Schnering, H.G.","Crystal structure of tristrontium arsenide borate, Sr3 As B O3","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","190","190","","","","","","","","","","","","","","","","","","","","","","has coordinates","162213","2020-10-21","18:00:00",""
"8103906","18.5434","","6.3349","","12.276","","90","","90","","90","","1442.07","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Eu6 (P2 (Ga P2)2)","","- Eu6 Ga2 P6 -","- Eu6 Ga2 P6 -","- Eu24 Ga8 P24 -","4","","","Somer, M.; Carrillo-Cabrera, W.; von Schnering, H.G.; Peters, K.; Cordier, G.","Crystal structure of hexaeuropium di-mue-phosphido-bis(diphosphidogallate(III)),Eu6 Ga2 P6","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","257","257","","","","","","","","","","","","","","","","","","","","","","has coordinates","162217","2020-10-21","18:00:00",""
"8103907","9.985","","9.809","","10.016","","90","","110.179","","90","","920.782","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Cs3 (B P As)","","- As B Cs3 P -","- As B Cs3 P -","- As4 B4 Cs12 P4 -","4","0.5","","Somer, M.; Carillo-Cabrera, W.; Peters, E.M.; von Schnering, H.G.; Peters, K.","Crystal structure of tricesium phosphido-arsenidoborate, Cs3 B P As","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","192","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103908","9.373","","9.373","","7.371","","90","","90","","120","","560.808","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Na3 Sr3 (Ga P4)","","- Ga Na3 P4 Sr3 -","- Ga Na3 P4 Sr3 -","- Ga2 Na6 P8 Sr6 -","2","0.166667","","Somer, M.; von Schnering, H.G.; Carillo-Cabrera, W.; Peters, K.; Nuss, J.; Cordier, G.","Crystal structures of trisodium tristrontium tetrapnictidogallates, Na3 Sr3 Ga P4, Na3 Sr3 Ga As4 and Na3 Sr3 Ga Sb4","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","479","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103909","9.603","","9.603","","7.53","","90","","90","","120","","601.367","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Na3 Sr3 Ga As4","","- As4 Ga Na3 Sr3 -","- As4 Ga Na3 Sr3 -","- As8 Ga2 Na6 Sr6 -","2","0.166667","","Somer, M.; Carillo-Cabrera, W.; Peters, K.; Nuss, J.; von Schnering, H.G.; Cordier, G.","Crystal structures of trisodium tristrontium tetrapnictidogallates, Na3 Sr3 Ga P4, Na3 Sr3 Ga As4 and Na3 Sr3 Ga Sb4","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","479","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103912","9.399","","9.399","","7.21","","90","","90","","120","","551.606","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Na3 Ca3 (Al As4)","","- Al As4 Ca3 Na3 -","- Al As4 Ca3 Na3 -","- Al2 As8 Ca6 Na6 -","2","0.166667","","Somer, M.; Carrillo-Cabrera, W.; von Schnering, H.G.; Peters, K.; Cordier, G.","Crystal structure of trisodium tetraarsenidoaluminate, Na3 Ca3 Al As4","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","550","550","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103915","13.84","","4.601","","14.45","","90","","90","","90","","920.145","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ba3 (In As3)","","- As3 Ba3 In -","- As3 Ba3 In -","- As12 Ba12 In4 -","4","0.5","","Somer, M.; Carrillo-Cabrera, W.; Peters, K.; von Schnering, H.G.; Cordier, G.","Crystal structure of tribarium triarsenidoindate Ba3 In As3","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","632","632","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103917","4.417","","4.417","","7.13","","90","","90","","90","","139.106","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Na Mg As","","- As Mg Na -","- As Mg Na -","- As2 Mg2 Na2 -","2","0.125","","Somer, M.; Carrillo-Cabrera, W.; Peters, E.M.; von Schnering, H.G.; Peters, K.","Crystal structure of sodium magnesium arsenide, Na Mg As","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","633","633","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103919","4.54","","4.76","","5.807","","90","","124.9","","90","","102.922","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Li Be N","","- Be Li N -","- Be Li N -","- Be4 Li4 N4 -","4","1","","Somer, M.; Carrillo-Cabrera, W.; Peters, E.M.; Peters, K.; von Schnering, H.G.","Crystal structure of lithium beryllium nitride, Li Be N","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","635","635","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103929","14.635","","14.635","","12.071","","90","","90","","90","","2585.41","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","Ce2 Br3 N","","- Br3 Ce2 N -","- Br3 Ce2 N -","- Br48 Ce32 N16 -","16","1","","Mattausch, H.J.; Simon, A.","Crystal structure of dicerium tribromide nitride Ce2 Br3 N","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","398","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103930","8.266","","8.288","","10.255","","106.97","","103.72","","98.61","","634.412","","","","","","","","","","","","","3","P -1","-P 1","2","","Gd2 Br3 N","","- Br3 Gd2 N -","- Br3 Gd2 N -","- Br12 Gd8 N4 -","4","2","","Mattausch, H.J.; Simon, A.","Crystal structure of digadolinium tribromide nitride Gd2 Br3 N","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","399","399","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103932","11.112","","11.724","","17.02","","90","","90","","90","","2217.32","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ce3 Br6 N","","- Br6 Ce3 N -","- Br6 Ce3 N -","- Br48 Ce24 N8 -","8","1","","Mattausch, H.J.; Simon, A.","Crystal structure of tricerium hexabromide nitride, Ce3 Br6 N","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","397","397","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103934","6.56","","9.59","","8.53","","90","","99.9","","90","","528.635","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Mg (H2 O)6) (Ge F6)","","- F6 Ge H12 Mg O6 -","- F6 Ge H12 Mg O6 -","- F12 Ge2 H24 Mg2 O12 -","2","0.5","","Stepen'-Damm, Yu.; Hrabanski, R.; Lukaszewicz, K.","Crystal structure of low temperature form of hexaaqua magnesium hexafluorogermanate, (Mg (H2 O)6) Ge F6","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","936","936","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103936","4.426","","12.772","","16.082","","90","","100.604","","90","","893.572","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(N H4)2 (B3 P O7 (O H)2)","","- B3 H10 N2 O9 P -","- B3 N2 O9 P -","- B12 N8 O36 P4 -","4","1","","Hauf, C.; Kniep, R.","Crystal structure of catena-(monoboro-mono-dihydrogendiborate monophosphate), (NH4)2(B3PO7(OH)2) O","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","705","706","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103937","7.108","","6.682","","12.276","","90","","95.712","","90","","580.162","","","","","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","K3 ((B O2 (O H))2 B3 P O6 (O H))","","- B5 H3 K3 O13 P -","- B5 H2 K3 O13 P -","- B10 H4 K6 O26 P2 -","2","0.5","","Hauf, C.; Kniep, R.","Crystal structure of catena-(triboro-monohydrogen-phosphate bis(monohydrogenborate)), K3 (B5 P O10 (O H)3)","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","707","708","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103942","9.602","","11.161","","9.773","","90","","90","","90","","1047.35","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rb3 (Sb S4)","","- Rb3 S4 Sb -","- Rb3 S4 Sb -","- Rb12 S16 Sb4 -","4","0.5","","Bensch, W.; Duerichen, P.","Crystal structure of rubidium tetrathioantimonate (V), Rb3 Sb S4","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","636","636","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103944","5.585","","13.132","","23.126","","90","","90","","90","","1696.11","","","","","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","K2 Cu (Nb S4)","","- Cu K2 Nb S4 -","- Cu K2 Nb S4 -","- Cu8 K16 Nb8 S32 -","8","0.25","","Bensch, W.; Duerichen, P.; Weidlich, C.","Crystal structure of dipotassium copper niobium tetrasulfide, K2 Cu Nb S4","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","931","931","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103947","8.485","","8.485","","8.485","","90","","90","","90","","610.879","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Ba Pb0.74 Sb0.2 Bi0.057 O3","","- Ba Bi0.057 O3 Pb0.74 Sb0.2 -","- Ba Bi0.057 O3 Pb0.7405 Sb0.2025 -","- Ba8 Bi0.456 O24 Pb5.924 Sb1.62 -","8","0.166667","","Bente, K.; Moretzki, O.; Steins, M.","Crystal structure of barium lead antimony bismuth oxide Ba Pb0.65 Sb0.3 Bi0.05 O3","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","186","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103962","9.969","","9.75","","19.168","","90","","103.96","","90","","1808.06","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","K2 Mn3 (S O4)4 (H2 O)5","","- H10 K2 Mn3 O21 S4 -","- H10 K2 Mn3 O21 S4 -","- H40 K8 Mn12 O84 S16 -","4","1","","Hidalgo, H.; Keremidchieva, B.; Veintemillas, S.; Balarew, C.; Rodriguez-Clemente, R.; Molins, E.; Spasov, V.","Crystal structure of dipotassium trimanganese tetrakis(sulfate) pentahydrate K2 Mn3 (S O4)4 (H2 O)5","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","153","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"8103975","13.536","","9.291","","8.5832","","90","","90","","90","","1079.45","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4)2 (Br2 (Pr Br3))","","- Br5 H8 N2 Pr -","- Br5 N2 Pr -","- Br20 N8 Pr4 -","4","0.5","","Bohnsack, A.; Meyer, G.","Crystal structure of ammonium catena-di-mu-bromotribromo-praseodymate(III), (N H4)2 Pr Br5","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","326","326","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103977","6.188","","15.543","","6.367","","90","","90","","90","","612.379","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Na (Cl2 (Sc Cl2))","","- Cl4 Na Sc -","- Cl4 Na Sc -","- Cl16 Na4 Sc4 -","4","0.5","","Bohnsack, A.; Meyer, G.; Wickleder, M.S.","Crystal structure of sodium tetrachloroscandate, Na Sc Cl4","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","394","394","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103983","12.309","","12.169","","12.309","","90","","90","","90","","1843.74","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(C H3)2 N H2 Sn Br3","","- C2 H8 Br3 N Sn -","- C2 H8 Br3 N Sn -","- C16 H64 Br24 N8 Sn8 -","8","1","","Thiele, G.; Serr, B.R.","Crastal Structure of dimethylammonium tribromostannate(II), (C H3)2 N H2 Sn Br3","Zeitschrift fuer Kristallographie - New Crystal Structures","1996","211","","47","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103984","6.381","","12.571","","6.513","","90","","96.73","","90","","518.844","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","(C H3)3 N H Sn Br3","","- C3 H10 Br3 N Sn -","- C3 H10 Br3 N Sn -","- C6 H20 Br6 N2 Sn2 -","2","1","","Thiele, G.; Serr, B.R.","Crystal structure of trimethylammonium bromostannate(II), (C H3)3 N H Sn Br3","Zeitschrift fuer Kristallographie - New Crystal Structures","1996","211","","46","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103985","14.637","","8.786","","8.288","","90","","90","","90","","1065.84","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","(C H3)2 N H2 Sn I3","","- C2 H8 I3 N Sn -","- C2 H8 I3 N Sn -","- C8 H32 I12 N4 Sn4 -","4","1","","Thiele, G.; Serr, B.R.","Crastal structure of dimethylammonium triiodostannate(II), (C H3)2 N H2 Sn I3","Zeitschrift fuer Kristallographie - New Crystal Structures","1996","211","","48","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103987","6.9431","","11.4883","","6.8242","","90","","91.444","","90","","544.155","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","K3.5 Rb2.5 ( O (Fe O2)2)","","- Fe2 K3.5 O5 Rb2.5 -","- Fe2 K3.51 O5 Rb2.49 -","- Fe4 K7.02 O10 Rb4.98 -","2","0.25","","Moeller, A.","Crystal structure of potassium rubidium oxoferrate(II), K3.5Rb2.5[Fe2O5]","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","325","325","","","","","","","","","","","","","","","","","","","","","","has coordinates","162862","2020-10-21","18:00:00",""
"8104010","12.46","","7.255","","11.42","","90","","100.51","","90","","1015.02","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ca0.71 Ti1.16 Yb0.66 Zr1.46 O7","","- Ca0.71 O7 Ti1.16 Yb0.66 Zr1.46 -","- Ca0.706 O7 Ti1.16 Yb0.6565 Zr1.4585 -","- Ca5.648 O56 Ti9.28 Yb5.252 Zr11.668 -","8","1","","Calos, N.J.; Forrester, T.S.K.; White, T.J.; Kennard, C.H.L.","Crystal structure of calcium titinium ytterbium zirconium oxide (zirkonolite-2M), Ca0.71 Ti1.16 Yb0.66 Zr1.46 O7","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","703","704","","","","","","","","","","","","","","","","","","","","","","has coordinates","163298","2020-10-21","18:00:00",""
"8104015","7.94","","7.94","","4.676","","90","","90","","120","","255.297","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Na Ba P","","- Ba Na P -","- Ba Na P -","- Ba3 Na3 P3 -","3","0.25","","Carrillo-Cabrera, W.; Somer, M.; Peters, E.M.; von Schnering, H.G.; Peters, K.","Crystal structure of sodium barium phosphide, Na Ba P","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","191","191","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104060","19.05","","3.839","","9.192","","90","","102.94","","90","","655.167","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Tl In5 S8","","- In5 S8 Tl -","- In5 S8 Tl1.018 -","- In10 S16 Tl2.036 -","2","0.25","","Walther, R.; Deiseroth, H.J.","Crystal structure of thallium pentaindium octasulfide Tl In5 S8","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","50","50","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104061","20.258","","3.8259","","12.821","","90","","121.39","","90","","848.258","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Tl In3 S5","","- In3 S5 Tl -","- In3 S5 Tl -","- In12 S20 Tl4 -","4","0.5","","Walther, R.; Deiseroth, H.J.","Crystal structure of thallium triindium pentasulfide, Tl In3 S5","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","49","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104062","9.0981","","3.8938","","17.309","","90","","102.18","","90","","599.389","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Tl In5 S7","","- In5 S7 Tl -","- In5 S7 Tl -","- In10 S14 Tl2 -","2","0.5","","Walther, R.; Deiseroth, H.J.","Crystal structure of thallium pentaindium heptasulfide, Tl In5 S7 and thallium pentaindium heptaselenide, Tl In5 Se7","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","51","52","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104063","9.453","","4.0667","","17.778","","90","","100.99","","90","","670.897","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Tl In5 Se7","","- In5 Se7 Tl -","- In5 Se7 Tl -","- In10 Se14 Tl2 -","2","0.5","","Walther, R.; Deiseroth, H.J.","Crystal structure of thallium pentaindium heptasulfide, Tl In5 S7 and thallium pentaindium heptaselenide, Tl In5 Se7","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","51","52","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104065","2.974","","2.974","","11.4","","90","","90","","120","","87.321","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cu Cr O2","","- Cr Cu O2 -","- Cr Cu O2 -","- Cr2 Cu2 O4 -","2","0.0833333","","Crottaz, O.; Kubel, F.","Crystal structure of copper(I) chromium(III) oxide, 2HCu Cr O2","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","481","481","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104066","2.9734","","2.9734","","17.1","","90","","90","","120","","130.928","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Cu Cr O2","","- Cr Cu O2 -","- Cr Cu O2 -","- Cr3 Cu3 O6 -","3","0.0833333","","Crottaz, O.; Kubel, F.","Crystal structure of copper(I) chromium(III) oxide, 3R Cu Cr O2","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","482","482","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104076","9.193","","9.248","","10.516","","69.74","","70.79","","89.73","","785.98","","","","","","","","","","","","","3","P -1","-P 1","2","","Cu2 (P8 O22)","","- Cu2 O22 P8 -","- Cu2 O22 P8 -","- Cu4 O44 P16 -","2","1","","Olbertz, A.; Stachel, D.; Svoboda, I.; Fuess, H.","Crystal structure of copper ultraphosphate, Cu2 P8 O22","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","551","552","","","","","","","","","","","","","","","","","","","","","","has coordinates","163922","2020-10-21","18:00:00",""
"8104081","8.401","","8.819","","12.802","","90","","100.01","","90","","934.042","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","((N H4)4 (Mo4 O12 (O2)2)) (H2 O)2","","- H20 Mo4 N4 O18 -","- H20 Mo4 N4 O18 -","- H40 Mo8 N8 O36 -","2","0.5","","Olson, S.; Stomberg, R.","Studies on peroxomolybdates XX. Crystal structure of ammonium dodecaoxodiperoxotetramolybdate(VI)-water(1/2), (N H4)4 (Mo4 O12 (O2)2).(H2 O)2","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","895","899","","","","","","","","","","","","","","","","","","","","","","has coordinates","163982","2020-10-21","18:00:00",""
"8104098","25.562","","3.4411","","19.701","","90","","122.25","","90","","1465.58","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Ti8 Se3","","- Se3 Ti8 -","- Se3 Ti8 -","- Se24 Ti64 -","8","1","","Weirich, T.E.; Poettgen, R.; Simon, A.","Crystal structure of octatitanium triselenide, Ti8 Se3","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","929","930","","","","","","","","","","","","","","","","","","","","","","has coordinates","164137","2020-10-21","18:00:00",""
"8104116","19.475","","6.708","","13.017","","90","","90","","90","","1700.52","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Ba6 (P2 (Ga P2)2)","","- Ba6 Ga2 P6 -","- Ba6 Ga2 P6 -","- Ba24 Ga8 P24 -","4","","","Peters, K.; Carrillo-Cabrera, W.; Somer, M.; von Schnering, H.G.","Crystal structure of hexabarium di-mue-phosphidobis(diphosphidogallate(III)), Ba6 (Ga2 P6)","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","53","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","164287","2020-10-21","18:00:00",""
"8104129","14.58","","14.58","","17.761","","90","","90","","120","","3269.74","","","","","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","Na Ga3 Te5","","- Ga3 Na Te5 -","- Ga3 Na Te5 -","- Ga36 Na12 Te60 -","12","0.666667","","Kienle, L.; Deiseroth, H.J.","Crystal structure of sodium trigallium pentatelluride, Na Ga3 Te5","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","629","629","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104144","6.902","","10.994","","11.127","","90","","90","","90","","844.323","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Na3 (Fe2 Se4)","","- Fe2 Na3 Se4 -","- Fe2 Na3 Se4 -","- Fe8 Na12 Se16 -","4","0.5","","Klepp, K.O.; Sparlinek, W.","Crystal structure of trisodium tetraseleno diferrate, Na3 Fe2 Se4","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","626","626","","","","","","","","","","","","","","","","","","","","","","has coordinates","164545","2020-10-21","18:00:00",""
"8104152","13.056","","13.056","","5.09","","90","","90","","90","","867.637","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Zr4 Fe4 Si7","","- Fe4 Si7 Zr4 -","- Fe4 Si7 Zr4 -","- Fe16 Si28 Zr16 -","4","0.125","","Evers, C.B.H.; Jeitschko, W.","Crystal structure of tetrazirconium tetrairon heptasilicide Zr4 Fe4 Si7","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","119","119","","","","","","","","","","","","","","","","","","","","","","has coordinates","164677","2020-10-21","18:00:00",""
"8104158","11.543","","11.543","","13.322","","90","","90","","90","","1775.04","","","","","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","Yb4 S3 (Si2 O7)","","- O7 S3 Si2 Yb4 -","- O7 S3 Si2 Yb4 -","- O56 S24 Si16 Yb32 -","8","0.25","","Range, K.J.; Andratschke, M.; Gietl, A.","Crystal structure of ytterbium(III) trisulfide disilicate, Yb4 S3 (Si2 O7)","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","816","816","","","","","","","","","","","","","","","","","","","","","","has coordinates","164699","2020-10-21","18:00:00",""
"8104170","9.186","","10.102","","7.958","","90","","90","","90","","738.478","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Sc Co Ge2","","- Co Ge2 Sc -","- Co Ge2 Sc -","- Co12 Ge24 Sc12 -","12","1.5","","Kotur, B.Ya.; Stepen'-Damm, Yu.; Bodak, O.I.","Crystal structure of scandium cobalt digermanide, Sc Co Ge2","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","117","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104178","4.711","","4.711","","23.254","","90","","90","","120","","446.945","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","(H3 O) (Al (S O4)2)","","- Al H3 O9 S2 -","- Al O9 S2 -","- Al3 O27 S6 -","3","0.166667","","Fischer, T.; Eisenmann, B.; Kniep, R.","Crystal structure of oxonium bis(sulfato)aluminate, H3 O (Al (S O4)2)","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","465","465","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104179","9.458","","18.25","","5.358","","90","","90","","90","","924.836","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(H5 O2) (Al (H2 O)2 (S O4)2)","","- Al H9 O12 S2 -","- Al O12 S2 -","- Al4 O48 S8 -","4","0.5","","Fischer, T.; Eisenmann, B.; Kniep, R.","Crystal structure of aquaoxonium diaquabis(sulfato)aluminate, H5 O2 (Al (H2 O)2 (S O4)2)","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","466","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104181","5.357","","10.356","","10.643","","70.62","","76.88","","80.76","","540.108","","","","","","","","","","","","","4","P -1","-P 1","2","","Al3 (H S O4) (S O4)4 (H2 O)9","","- Al3 H19 O29 S5 -","- Al3 H16 O29 S5 -","- Al3 H16 O29 S5 -","1","0.5","","Fischer, T.; Eisenmann, B.; Kniep, R.","Crystal structure of trialuminium monohydrogensulfate tetrakis(sulfate) nonahydrate, Al3 (H S O4) (S O4)4 . 9H2 O","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","467","468","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104182","5.4843","","10.7958","","20.8427","","90","","96.44","","90","","1226.26","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Al2 (S O4)3 (H2 O)5","","- Al2 H10 O17 S3 -","- Al2 H10 O17 S3 -","- Al8 H40 O68 S12 -","4","1","","Fischer, T.; Eisenmann, B.; Kniep, R.","Crystal structure of dialuminium tris(sulfate) pentahydrate","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","471","472","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104183","7.37","","22.008","","9.624","","90","","91.62","","90","","1560.38","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Al2 (S O4)3 (H2 O)8","","- Al2 H16 O20 S3 -","- Al2 H16 O20 S3 -","- Al8 H64 O80 S12 -","4","1","","Fischer, T.; Eisenmann, B.; Kniep, R.","Crystal structure of dialuminium tris(sulfate) octahydrate, Al2 (S O4)3 (H2 O)8","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","473","474","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104184","12.4207","","7.2896","","20.239","","90","","97.121","","90","","1818.34","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Al2 (S O4)3 (H2 O)10.5","","- Al2 H21 O22.5 S3 -","- Al2 O22.5 S3 -","- Al8 O90 S12 -","4","1","","Fischer, T.; Kniep, R.; Eisenmann, B.","Crystal structure of dialuminium tris(sulfate) 10.5hydrate, (Al2 (S O4)3 (H2 O)10.5","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","475","476","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104187","14.38","","14.38","","9.758","","90","","90","","120","","1747.47","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Cs Hg4 Ga5 Se12","","- Cs Ga5 Hg4 Se12 -","- Cs Ga5.001 Hg3.999 Se12 -","- Cs3 Ga15.003 Hg11.997 Se36 -","3","0.333333","","Krauss, G.; Keller, E.; Kraemer, V.","Crystal structure of cesium tetramercury pentagallium dodecaselenide, Cs Hg4 Ga5 Se12","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","188","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104197","5.116","","5.116","","17.946","","90","","90","","90","","469.709","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Ba4 O Sb2 -","- Ba4 O Sb2 -","- Ba8 O2 Sb4 -","2","0.0625","","Roehr, C.; George, R.","Crystal structure of barium antimonide oxide, Ba4 Sb2 O","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","478","478","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104209","8.84","","8.84","","12.466","","90","","90","","90","","974.163","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","(Ba3 C2) Ge4","","- C2 Ba3 Ge4 -","- C2 Ba3 Ge4 -","- C8 Ba12 Ge16 -","4","0.125","","von Schnering, H.G.; Curda, J.; Carrillo-Cabrera, W.; Somer, M.; Peters, K.","Crystal structure of tribarium tetragermanide mono-acetylide, Ba3 Ge4 C2","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","634","634","","","","","","","","","","","","","","","","","","","","","","has coordinates","165320","2020-10-21","18:00:00",""
"9001713","6.247","","9.034","","13.401","","90","","90","","90","","756.291","","","","295.15","","","","","","","","","5","P 21 c n","","","","","Hennomartinite","- H8 Mn2 O10 Si2 Sr -","- H8 Mn2 O10 Si2 Sr -","- H32 Mn8 O40 Si8 Sr4 -","4","1","","Libowitzky, E.; Armbruster, T.","Lawsonite-type phase transitions in hennomartinite, SrMn2[Si2O7](OH)2.H2O T = 22 C","American Mineralogist","1996","81","","9","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001714","6.255","","9.067","","13.431","","90","","90","","90","","761.727","","","","518.15","","","","","","","","","5","C m c m","-C 2c 2","63","","","Hennomartinite","- H4 Mn2 O10 Si2 Sr -","- H4 Mn2 O10 Si2 Sr -","- H16 Mn8 O40 Si8 Sr4 -","4","0.25","","Libowitzky, E.; Armbruster, T.","Lawsonite-type phase transitions in hennomartinite, SrMn2[Si2O7](OH)2.H2O T = 245 C","American Mineralogist","1996","81","","9","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001715","11.4597","","11.4597","","11.4597","","90","","90","","90","","1504.94","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Garnet","- Al2 Co3 O12 Si3 -","- Al2 Co3 O12 Si3 -","- Al16 Co24 O96 Si24 -","8","0.0833333","","Ross, C. R.; Keppler, H.; Canil, D.; O'Neill H St C","Structure and crystal-field spectra of Co3Al2(SiO4)3 and (Mg,Ni)3Al2(SiO4)3 garnet Co3Al2(SiO4)3","American Mineralogist","1996","81","","61","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001716","11.4717","","11.4717","","11.4717","","90","","90","","90","","1509.68","","","","","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","Garnet","- Al2 Mg2.55 Ni0.45 O12 Si3 -","- Al2 Mg2.55 Ni0.45 O12 Si3 -","- Al16 Mg20.4 Ni3.6 O96 Si24 -","8","0.0833333","","Ross, C. R.; Keppler, H.; Canil, D.; O'Neill H St C","Structure and crystal-field spectra of Co3Al2(SiO4)3 and (Mg,Ni)3Al2(SiO4)3 garnet (Mg,Ni)3Al2(SiO4)3","American Mineralogist","1996","81","","61","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001717","5.323","","9.214","","21.381","","90","","90","","90","","1048.66","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","","Dozyite","- Mg3 O9 Si2 -","- Mg3 O9 Si2 -","- Mg18 O54 Si12 -","6","1.5","","Banfield, J. F.; Bailey, S. W.","Formation of regularly interstatified serpentine-chlorite minerals by tetrahedral inversion in long-period serpentine polytypes","American Mineralogist","1996","81","","79","91","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001718","9.076","","5.226","","21.41","","90","","99.48","","90","","1001.63","","","","","","","","","","","","","11","C 1 2/c 1","-C 2yc","15","","","Nanpingite","- Al2.34 Cs0.88 F0.2 Fe0.16 H1.8 K0.06 Li0.14 Mg0.2 O11.8 Rb0.01 Si3.16 -","- Al2.34 Cs0.88 F0.2 Fe0.16 H1.8 K0.06 Li0.14 Mg0.2 O11.8 Rb0.01 Si3.16 -","- Al9.36 Cs3.52 F0.8 Fe0.64 H7.2 K0.24 Li0.56 Mg0.8 O47.2 Rb0.04 Si12.64 -","4","0.5","","Ni, Y.; Hughes, J. M.","The crystal structure of nanpingite-2M2, the Cs end-member of muscovite","American Mineralogist","1996","81","","105","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9001719","8.33","","8.33","","10.54","","90","","90","","120","","633.375","","","","","","","","","","","","","4","P -3","-P 3","147","","","Namuwite","- H6 O14 S Zn4 -","- H6 O14 S Zn4 -","- H12 O28 S2 Zn8 -","2","0.333333","","Groat, L. A.","The crystal structure of namuwite, a mineral with Zn in tetrahedral and octahedral coordination, and its relationship to the synthetic basic zinc sulfates Note: U(1,2) for S has been changed to match symmetry constraints.","American Mineralogist","1996","81","","238","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9001720","8.319","","8.319","","7.377","","90","","90","","120","","442.133","","","","","","","","","","","","","6","P -3","-P 3","147","","","Bechererite","- Cu1.002 H19 O21 S Si Zn6.938 -","- Cu1.002 H19 O21 S Si Zn6.938 -","- Cu1.002 H19 O21 S Si Zn6.938 -","1","0.166667","","Giester, G.; Rieck, B.","Bechererite, (Zn,Cu)6Zn2(OH)13[(S,Si)(O,OH)4]2, a novel mineral species from the Tonopah-Belmont mine, Arizonia Note: U(1,2) changed for Si, S, O1, OH1 to match symmetry constraints.","American Mineralogist","1996","81","","244","248","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9001721","4.8168","","10.4317","","5.965","","90","","90","","90","","299.726","","","","","","","","0","","","","","4","P b n m","-P 2c 2ab","62","","","","- Li O4 Sc Si -","- Li O4 Sc Si -","- Li4 O16 Sc4 Si4 -","4","0.5","","Hazen, R. M.; Downs, R. T.; Finger, L. W.","High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic compression Sample: #0, P = 0.0 GPa","American Mineralogist","1996","81","","327","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001722","4.8189","","10.4373","","5.9695","","90","","90","","90","","300.244","","","","","","","","60000","","","","","4","P b n m","-P 2c 2ab","62","","","","- Li O4 Sc Si -","- Li O4 Sc Si -","- Li4 O16 Sc4 Si4 -","4","0.5","","Hazen, R. M.; Downs, R. T.; Finger, L. W.","High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic compression Sample: #1, P = 0.06 GPa","American Mineralogist","1996","81","","327","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001723","4.8198","","10.4378","","5.9699","","90","","90","","90","","300.334","","","","","","","","210000","","","","","4","P b n m","-P 2c 2ab","62","","","","- Li O4 Sc Si -","- Li O4 Sc Si -","- Li4 O16 Sc4 Si4 -","4","0.5","","Hazen, R. M.; Downs, R. T.; Finger, L. W.","High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic compression Sample: #2, P = 0.21 GPa","American Mineralogist","1996","81","","327","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001724","4.819","","10.4333","","5.9672","","90","","90","","90","","300.019","","","","","","","","230000","","","","","4","P b n m","-P 2c 2ab","62","","","","- Li O4 Sc Si -","- Li O4 Sc Si -","- Li4 O16 Sc4 Si4 -","4","0.5","","Hazen, R. M.; Downs, R. T.; Finger, L. W.","High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic compression Sample: #2, P = 0.23 GPa","American Mineralogist","1996","81","","327","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001725","4.804","","10.4117","","5.9533","","90","","90","","90","","297.771","","","","","","","","990000","","","","","4","P b n m","-P 2c 2ab","62","","","","- Li O4 Sc Si -","- Li O4 Sc Si -","- Li4 O16 Sc4 Si4 -","4","0.5","","Hazen, R. M.; Downs, R. T.; Finger, L. W.","High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic compression Sample: #2, P = 0.99 GPa","American Mineralogist","1996","81","","327","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001726","4.7996","","10.3925","","5.9443","","90","","90","","90","","296.501","","","","","","","","1460000","","","","","4","P b n m","-P 2c 2ab","62","","","","- Li O4 Sc Si -","- Li O4 Sc Si -","- Li4 O16 Sc4 Si4 -","4","0.5","","Hazen, R. M.; Downs, R. T.; Finger, L. W.","High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic compression Sample: #1, P = 1.46 GPa","American Mineralogist","1996","81","","327","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001727","4.7918","","10.3784","","5.9365","","90","","90","","90","","295.229","","","","","","","","2170000","","","","","4","P b n m","-P 2c 2ab","62","","","","- Li O4 Sc Si -","- Li O4 Sc Si -","- Li4 O16 Sc4 Si4 -","4","0.5","","Hazen, R. M.; Downs, R. T.; Finger, L. W.","High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic compression Sample: #2, P = 2.17 GPa","American Mineralogist","1996","81","","327","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001728","4.7802","","10.3514","","5.9224","","90","","90","","90","","293.051","","","","","","","","3020000","","","","","4","P b n m","-P 2c 2ab","62","","","","- Li O4 Sc Si -","- Li O4 Sc Si -","- Li4 O16 Sc4 Si4 -","4","0.5","","Hazen, R. M.; Downs, R. T.; Finger, L. W.","High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic compression Sample: #2, P = 3.02 GPa","American Mineralogist","1996","81","","327","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001729","4.7717","","10.332","","5.9128","","90","","90","","90","","291.508","","","","","","","","3720000","","","","","4","P b n m","-P 2c 2ab","62","","","","- Li O4 Sc Si -","- Li O4 Sc Si -","- Li4 O16 Sc4 Si4 -","4","0.5","","Hazen, R. M.; Downs, R. T.; Finger, L. W.","High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic compression Sample: #2, P = 3.72 GPa","American Mineralogist","1996","81","","327","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001730","4.7611","","10.3072","","5.9006","","90","","90","","90","","289.564","","","","","","","","4510000","","","","","4","P b n m","-P 2c 2ab","62","","","","- Li O4 Sc Si -","- Li O4 Sc Si -","- Li4 O16 Sc4 Si4 -","4","0.5","","Hazen, R. M.; Downs, R. T.; Finger, L. W.","High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic compression Sample: #2, P = 4.51 GPa","American Mineralogist","1996","81","","327","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001731","4.7535","","10.2864","","5.8895","","90","","90","","90","","287.975","","","","","","","","5150000","","","","","4","P b n m","-P 2c 2ab","62","","","","- Li O4 Sc Si -","- Li O4 Sc Si -","- Li4 O16 Sc4 Si4 -","4","0.5","","Hazen, R. M.; Downs, R. T.; Finger, L. W.","High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic compression Sample: #2, P = 5.15 GPa","American Mineralogist","1996","81","","327","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001732","9.492","","18.093","","5.292","","90","","102.11","","90","","888.617","","","","140","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","Cummingtonite","- Fe2.559 Mg4.441 O24 Si8 -","- Fe2.559 Mg4.441 O24 Si8 -","- Fe5.118 Mg8.882 O48 Si16 -","2","0.5","","Yang, H.; Smyth, J. R.","Crystal structure of a P2_1/m ferromagnesian cummingtonite at 140 K T = 140 K","American Mineralogist","1996","81","","363","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001733","9.502","","18.126","","5.309","","90","","102.07","","90","","894.172","","","","295","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","Cummingtonite","- Fe2.559 Mg4.441 O24 Si8 -","- Fe2.559 Mg4.441 O24 Si8 -","- Fe5.118 Mg8.882 O48 Si16 -","2","0.25","","Yang, H.; Smyth, J. R.","Crystal structure of a P2_1/m ferromagnesian cummingtonite at 140 K T = 295 K","American Mineralogist","1996","81","","363","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001734","4.581","","6.178","","8.969","","94.29","","99.93","","94.85","","248.102","","","","","","","","","","","","","5","P -1","-P 1","2","","","Medenbachite","- As2 Bi2 Cu0.88 Fe1.12 O12 -","- As2 Bi2 Cu0.88 Fe1.12 O12 -","- As2 Bi2 Cu0.88 Fe1.12 O12 -","1","0.5","","Krause, W.; Bernhardt, H. J.; Gebert, W.; Graetsch, H.; Belendorff, K.; Petitjean, K.","Medenbachite, Bi2Fe(Cu,Fe)(O,OH)2(OH)2(AsO4)2, a new mineral species: Its description and crystal structure Sample: 8.0.376, single Bi atom model","American Mineralogist","1996","81","","505","512","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001735","4.581","","6.178","","8.969","","94.29","","99.93","","94.85","","248.102","","","","","","","","","","","","","5","P -1","-P 1","2","","","Medenbachite","- As2 Bi2 Cu0.88 Fe1.12 O12 -","- As2 Bi2 Cu0.88 Fe1.12 O12 -","- As2 Bi2 Cu0.88 Fe1.12 O12 -","1","0.5","","Krause, W.; Bernhardt, H. J.; Gebert, W.; Graetsch, H.; Belendorff, K.; Petitjean, K.","Medenbachite, Bi2Fe(Cu,Fe)(O,OH)2(OH)2(AsO4)2, a new mineral species: Its description and crystal structure Sample: 8.0.376, split Bi atom model","American Mineralogist","1996","81","","505","512","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001736","7.1535","","8.8933","","6.6674","","90","","113.342","","90","","389.453","","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","Malayaite","- Ca O5 Si Sn -","- Ca O5 Si Sn -","- Ca4 O20 Si4 Sn4 -","4","0.5","","Groat, L. A.; Kek, S.; Bismayer, U.; Schmidt, C.; Krane, H. G.; Meyer, H.; Nistor, L.; Van Tendeloo, G.","A synchrotron radiation, HRTEM, X-ray powder diffraction, and Raman spectroscopic study of malayaite, CaSnSiO5","American Mineralogist","1996","81","","595","602","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001737","8.851","","5.9345","","19.1247","","90","","96.969","","90","","997.127","","","","","","","","","","","","","7","A 1 2/m 1","-A 2y","12","","","Pumpellyite-(Mn2+)","- Al1.97 Ca2 H4 Mg0.178 Mn0.852 O14 Si3 -","- Al1.97 Ca2 H4 Mg0.178 Mn0.852 O14 Si3 -","- Al7.88 Ca8 H16 Mg0.712 Mn3.408 O56 Si12 -","4","0.5","","Artioli, G.; Pavese, A.; Bellotto, M.; Collins, S. P.; Lucchetti, G.","Mn crystal chemistry in pumpellyite: A resonant scattering powder diffraction Rietveld study using synchrotron radiation Sample: SN1","American Mineralogist","1996","81","","603","610","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9001738","8.833","","5.9153","","19.1009","","90","","97.154","","90","","990.249","","","","","","","","","","","","","7","A 1 2/m 1","-A 2y","12","","","Pumpellyite-(Mn2+)","- Al2.236 Ca2 H4 Mg0.29 Mn0.474 O14 Si3 -","- Al2.236 Ca2 H4 Mg0.29 Mn0.474 O14 Si3 -","- Al8.944 Ca8 H16 Mg1.16 Mn1.896 O56 Si12 -","4","0.5","","Artioli, G.; Pavese, A.; Bellotto, M.; Collins, S. P.; Lucchetti, G.","Mn crystal chemistry in pumpellyite: A resonant scattering powder diffraction Rietveld study using synchrotron radiation Sample: SN5","American Mineralogist","1996","81","","603","610","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9001739","17.744","","22.601","","3.633","","90","","90","","90","","1456.95","","","","","","","","","","","","","6","P n a m","-P 2c 2n","62","","","Defernite","- C1.58 H7 Ca6 Cl0.498 O14.679 Si0.84 -","- C1.58 H7 Ca6 Cl0.498 O14.679 Si0.84 -","- C6.32 H28 Ca24 Cl1.992 O58.716 Si3.36 -","4","0.5","","Armbruster, T.; Yang, P.; Liebich, B. W.","Mechanism of the SiO4 for CO3 substitution in defernite, Ca6(CO3)1.58(Si2O7)0.21(OH)7[Cl0.50(OH)0.08(H2O)0.42]: A single-crystal X-ray study at 100 K","American Mineralogist","1996","81","","625","631","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:41:57",""
"9001740","9.7476","","8.9478","","5.2622","","90","","106.056","","90","","441.063","","","","","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.029 Ca0.798 Cr0.071 Fe0.059 K0.073 Mg0.955 Na0.023 O6 Si1.992 -","- Al0.029 Ca0.798 Cr0.071 Fe0.059 K0.073 Mg0.955 Na0.023 O6 Si1.992 -","- Al0.116 Ca3.192 Cr0.284 Fe0.236 K0.292 Mg3.82 Na0.092 O24 Si7.968 -","4","0.5","","Harlow, G. E.","Structure refinement of a natural K-rich diopside: The effect of K on the average structure","American Mineralogist","1996","81","","632","638","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001741","8.896","","5.706","","10.083","","90","","113.88","","90","","468.005","","","","","","","","","","","","","13","P 1 21/m 1","-P 2yb","11","","","Manganiandrosite-(La)","- Al Ca0.64 Ce0.25 Cu0.01 Fe0.1 H La0.25 Mn2.49 Nd0.17 O13 Pr0.05 Si3 Sr0.04 -","- Al Ca0.64 Ce0.25 Cu0.01 Fe0.1 H La0.25 Mn2.49 Nd0.17 O13 Pr0.05 Si3 Sr0.04 -","- Al2 Ca1.28 Ce0.5 Cu0.02 Fe0.2 H2 La0.5 Mn4.98 Nd0.34 O26 Pr0.1 Si6 Sr0.08 -","2","0.5","","Bonazzi, P.; Menchetti, S.; Reinecke, T.","Solid solution between piemontite and androsite-(La), a new mineral of the epidote group from Andros Island, Greece Sample: AND-517 Note: Mineral name changed from androsite-(La)","American Mineralogist","1996","81","","735","742","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001742","8.89","","5.69","","10.135","","90","","114.44","","90","","466.732","","","","","","","","","","","","","17","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al1.71 Ca0.96 Ce0.23 Cu0.13 Fe0.4 Gd0.01 H La0.11 Mg0.16 Mn0.93 Nd0.1 O13 Pr0.03 Si3 Sm0.02 Sr0.19 Th0.02 -","- Al1.71 Ca0.96 Ce0.23 Cu0.13 Fe0.4 Gd0.01 H La0.11 Mg0.16 Mn0.93 Nd0.1 O13 Pr0.03 Si3 Sm0.02 Sr0.19 Th0.02 -","- Al3.42 Ca1.92 Ce0.46 Cu0.26 Fe0.8 Gd0.02 H2 La0.22 Mg0.32 Mn1.86 Nd0.2 O26 Pr0.06 Si6 Sm0.04 Sr0.38 Th0.04 -","2","0.5","","Bonazzi, P.; Menchetti, S.; Reinecke, T.","Solid solution between piemontite and androsite-(La), a new mineral of the epidote group from Andros Island, Greece Sample: VA-1a","American Mineralogist","1996","81","","735","742","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001743","9.865","","9.865","","79.45","","90","","90","","120","","6696.05","","","","","","","","","","","","","8","R -3 :H","-R 3","148","","","Hyttsjoite","- Ba2 Ca5 Cl Fe2 Mn2 O96 Pb18 Si30 -","- Ba2 Ca5 Cl Fe2 Mn2 O96 Pb18 Si30 -","- Ba6 Ca15 Cl3 Fe6 Mn6 O288 Pb54 Si90 -","3","0.166667","","Grew, E. S.; Peacor, D. R.; Rouse, R. C.; Yates, M. G.; Su, S.-C.; Marquez, N.","Hyttsjoite, a new, complex layered plumbosilicate with unique tetrahedral sheets from Langban, Sweden Note: U(1,2) for Ca3 and Fe changed to match symmetry constraints.","American Mineralogist","1996","81","","743","753","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001744","8.797","","5.852","","13.126","","90","","90","","90","","675.727","","","","296.15","","","","100","","","","","5","C c m m","-C 2c 2c","63","","","Lawsonite","- Al2 Ca H4 O10 Si2 -","- Al2 Ca H4 O10 Si2 -","- Al8 Ca4 H16 O40 Si8 -","4","0.25","","Comodi, P.; Zanazzi, P. F.","Effects of temperature and pressure on the structure of lawsonite P = 0.001 kbar, T = 23 C","American Mineralogist","1996","81","","833","841","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:41:57",""
"9001745","8.789","","5.843","","13.127","","90","","90","","90","","674.126","","","","296.15","","","","50000","","","","","4","C c m m","-C 2c 2c","63","","","Lawsonite","- Al2 Ca O10 Si2 -","- Al2 Ca O10 Si2 -","- Al8 Ca4 O40 Si8 -","4","0.25","","Comodi, P.; Zanazzi, P. F.","Effects of temperature and pressure on the structure of lawsonite P = 0.5 kbar, T = 23 C","American Mineralogist","1996","81","","833","841","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001746","8.717","","5.805","","13.036","","90","","90","","90","","659.65","","","","296.15","","","","2870000","","","","","4","C c m m","-C 2c 2c","63","","","Lawsonite","- Al2 Ca O10 Si2 -","- Al2 Ca O10 Si2 -","- Al8 Ca4 O40 Si8 -","4","0.25","","Comodi, P.; Zanazzi, P. F.","Effects of temperature and pressure on the structure of lawsonite P = 28.7 kbar, T = 23 C","American Mineralogist","1996","81","","833","841","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001747","8.852","","5.882","","13.194","","90","","90","","90","","686.978","","","","717.15","","","","100","","","","","4","C c m m","-C 2c 2c","63","","","Lawsonite","- Al2 Ca O10 Si2 -","- Al2 Ca O10 Si2 -","- Al8 Ca4 O40 Si8 -","4","0.25","","Comodi, P.; Zanazzi, P. F.","Effects of temperature and pressure on the structure of lawsonite P = 0.001 kbar, T = 444 C","American Mineralogist","1996","81","","833","841","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001748","8.86","","5.888","","13.201","","90","","90","","90","","688.666","","","","811.15","","","","100","","","","","4","C c m m","-C 2c 2c","63","","","Lawsonite","- Al2 Ca O10 Si2 -","- Al2 Ca O10 Si2 -","- Al8 Ca4 O40 Si8 -","4","0.25","","Comodi, P.; Zanazzi, P. F.","Effects of temperature and pressure on the structure of lawsonite P = 0.001 kbar, T = 538 C","American Mineralogist","1996","81","","833","841","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001749","18.316","","8.907","","5.218","","90","","90","","90","","851.268","","","","","","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","Orthopyroxene","- Al0.028 Ca0.036 Cr0.004 Fe0.795 Mg1.134 Mn0.026 O6 Si1.986 Ti0.005 -","- Al0.028 Ca0.036 Cr0.004 Fe0.795 Mg1.134 Mn0.026 O6 Si1.986 Ti0.005 -","- Al0.224 Ca0.288 Cr0.032 Fe6.36 Mg9.072 Mn0.208 O48 Si15.888 Ti0.04 -","8","1","","Domeneghetti, M. C.; Tazzoli, V.; Ballaran, T. B.; Molin, G. M.","Orthopyroxene from the Serra de Mage meteorite: A structure-refinement procedure for a Pbca phase coexisting with a C2/c exsolved phase Sample Opx SDM N.13, natural","American Mineralogist","1996","81","","842","846","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001750","18.32","","8.917","","5.219","","90","","90","","90","","852.573","","","","","","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","Orthopyroxene","- Al0.028 Ca0.036 Cr0.004 Fe0.801 Mg1.128 Mn0.026 O6 Si1.986 Ti0.005 -","- Al0.028 Ca0.036 Cr0.004 Fe0.801 Mg1.128 Mn0.026 O6 Si1.986 Ti0.005 -","- Al0.224 Ca0.288 Cr0.032 Fe6.408 Mg9.024 Mn0.208 O48 Si15.888 Ti0.04 -","8","1","","Domeneghetti, M. C.; Tazzoli, V.; Ballaran, T. B.; Molin, G. M.","Orthopyroxene from the Serra de Mage meteorite: A structure-refinement procedure for a Pbca phase coexisting with a C2/c exsolved phase Sample Opx SDM N.7, heated","American Mineralogist","1996","81","","842","846","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001751","5.674","","15.1049","","6.4909","","90","","118.513","","90","","488.829","","","","4.2","","","","","","","","","4","I 1 2/a 1","","","","","Gypsum (deuterated)","- Ca D4 O6 S -","- Ca D4 O6 S -","- Ca4 D16 O24 S4 -","4","0.5","","Schofield, P. F.; Knight, K. S.; Stretton, I. C.","Thermal expansion of gypsum investigated by neutron powder diffraction T = 4.2 K","American Mineralogist","1996","81","","847","851","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:43",""
"9001752","5.6742","","15.1236","","6.5018","","90","","118.495","","90","","490.357","","","","150","","","","","","","","","4","I 1 2/a 1","","","","","Gypsum (deuterated)","- Ca D4 O6 S -","- Ca D4 O6 S -","- Ca4 D16 O24 S4 -","4","0.5","","Schofield, P. F.; Knight, K. S.; Stretton, I. C.","Thermal expansion of gypsum investigated by neutron powder diffraction T = 150 K","American Mineralogist","1996","81","","847","851","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:43",""
"9001753","5.6769","","15.2074","","6.5277","","90","","118.494","","90","","495.279","","","","320","","","","","","","","","4","I 1 2/a 1","","","","","Gypsum (deuterated)","- Ca D4 O6 S -","- Ca D4 O6 S -","- Ca4 D16 O24 S4 -","4","0.5","","Schofield, P. F.; Knight, K. S.; Stretton, I. C.","Thermal expansion of gypsum investigated by neutron powder diffraction T = 320 K","American Mineralogist","1996","81","","847","851","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:43",""
"9001754","5.318","","9.214","","10.279","","90","","100.01","","90","","496.004","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.08 Ba0.01 F0.04 Fe0.35 H1.8 K0.96 Mg2.67 Na0.03 O11.96 Si2.84 Ti0.06 -","- Al1.08 Ba0.01 F0.04 Fe0.35 H1.8 K0.96 Mg2.67 Na0.03 O11.96 Si2.84 Ti0.06 -","- Al2.16 Ba0.02 F0.08 Fe0.7 H3.6 K1.92 Mg5.34 Na0.06 O23.92 Si5.68 Ti0.12 -","2","0.25","","Brigatti, M. F.; Medici, L.; Saccani, E.; Vaccaro, C.","Crystal chemistry and petrologic significance of Fe3±rich phlogopite from the Tapira carbonatite complex, Brazil Sample: Tas27-2Ba","American Mineralogist","1996","81","","913","927","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9001755","5.33","","9.2346","","10.301","","90","","99.92","","90","","499.439","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.04 Ba0.01 F0.04 Fe0.39 H1.8 K0.96 Mg2.67 Na0.03 O11.96 Si2.84 Ti0.06 -","- Al1.04 Ba0.01 F0.04 Fe0.39 H1.8 K0.96 Mg2.67 Na0.03 O11.96 Si2.84 Ti0.06 -","- Al2.08 Ba0.02 F0.08 Fe0.78 H3.6 K1.92 Mg5.34 Na0.06 O23.92 Si5.68 Ti0.12 -","2","0.25","","Brigatti, M. F.; Medici, L.; Saccani, E.; Vaccaro, C.","Crystal chemistry and petrologic significance of Fe3±rich phlogopite from the Tapira carbonatite complex, Brazil Sample: Tas27-2Bb","American Mineralogist","1996","81","","913","927","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9001756","5.333","","9.238","","10.267","","90","","99.96","","90","","498.193","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.2 Ba0.04 F0.06 Fe0.73 H1.68 K0.92 Mg2.16 Mn0.09 O11.94 Si2.76 Ti0.12 -","- Al1.2 Ba0.04 F0.06 Fe0.73 H1.68 K0.92 Mg2.16 Mn0.09 O11.94 Si2.76 Ti0.12 -","- Al2.4 Ba0.08 F0.12 Fe1.46 H3.36 K1.84 Mg4.32 Mn0.18 O23.88 Si5.52 Ti0.24 -","2","0.25","","Brigatti, M. F.; Medici, L.; Saccani, E.; Vaccaro, C.","Crystal chemistry and petrologic significance of Fe3±rich phlogopite from the Tapira carbonatite complex, Brazil Sample: Tag15-4","American Mineralogist","1996","81","","913","927","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9001757","5.329","","9.228","","10.258","","90","","100.03","","90","","496.738","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.24 Ba0.02 F0.06 Fe0.6 H1.92 K0.92 Mg2.19 O11.94 Si2.76 Ti0.12 -","- Al1.24 Ba0.02 F0.06 Fe0.6 H1.92 K0.92 Mg2.19 O11.94 Si2.76 Ti0.12 -","- Al2.48 Ba0.04 F0.12 Fe1.2 H3.84 K1.84 Mg4.38 O23.88 Si5.52 Ti0.24 -","2","0.25","","Brigatti, M. F.; Medici, L.; Saccani, E.; Vaccaro, C.","Crystal chemistry and petrologic significance of Fe3±rich phlogopite from the Tapira carbonatite complex, Brazil Sample: Tag15-3","American Mineralogist","1996","81","","913","927","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9001758","5.3405","","9.244","","10.253","","90","","100.09","","90","","498.337","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.28 Ba F0.02 Fe0.87 H1.74 K Mg1.89 Mn0.03 O11.98 Si2.72 Ti0.18 -","- Al1.28 Ba F0.02 Fe0.87 H1.74 K Mg1.89 Mn0.03 O11.98 Si2.72 Ti0.18 -","- Al2.56 Ba2 F0.04 Fe1.74 H3.48 K2 Mg3.78 Mn0.06 O23.96 Si5.44 Ti0.36 -","2","0.25","","Brigatti, M. F.; Medici, L.; Saccani, E.; Vaccaro, C.","Crystal chemistry and petrologic significance of Fe3±rich phlogopite from the Tapira carbonatite complex, Brazil Sample: Tpg63-2B","American Mineralogist","1996","81","","913","927","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9001759","5.321","","9.211","","10.287","","90","","99.93","","90","","496.631","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.04 Ba0.02 Fe0.36 H1.82 K0.93 Mg0.89 Na0.05 O12 Si2.84 Ti1.87 -","- Al1.04 Ba0.02 Fe0.36 H1.82 K0.93 Mg0.89 Na0.05 O12 Si2.84 Ti1.87 -","- Al2.08 Ba0.04 Fe0.72 H3.64 K1.86 Mg1.78 Na0.1 O24 Si5.68 Ti3.74 -","2","0.25","","Brigatti, M. F.; Medici, L.; Saccani, E.; Vaccaro, C.","Crystal chemistry and petrologic significance of Fe3±rich phlogopite from the Tapira carbonatite complex, Brazil Sample: Tae23-1a","American Mineralogist","1996","81","","913","927","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9001760","5.33","","9.23","","10.256","","90","","99.92","","90","","497.01","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.12 Ba0.01 Fe0.34 H1.82 K0.88 Mg2.61 Na0.05 O12 Si2.84 Ti0.09 -","- Al1.12 Ba0.01 Fe0.34 H1.82 K0.88 Mg2.61 Na0.05 O12 Si2.84 Ti0.09 -","- Al2.24 Ba0.02 Fe0.68 H3.64 K1.76 Mg5.22 Na0.1 O24 Si5.68 Ti0.18 -","2","0.25","","Brigatti, M. F.; Medici, L.; Saccani, E.; Vaccaro, C.","Crystal chemistry and petrologic significance of Fe3±rich phlogopite from the Tapira carbonatite complex, Brazil Sample: Tae23-1b","American Mineralogist","1996","81","","913","927","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9001761","5.318","","9.219","","10.274","","90","","99.88","","90","","496.229","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.16 Ba0.02 F0.02 Fe0.37 H1.8 K0.87 Mg2.58 Na0.05 O11.98 Si2.8 Ti0.09 -","- Al1.16 Ba0.02 F0.02 Fe0.37 H1.8 K0.87 Mg2.58 Na0.05 O11.98 Si2.8 Ti0.09 -","- Al2.32 Ba0.04 F0.04 Fe0.74 H3.6 K1.74 Mg5.16 Na0.1 O23.96 Si5.6 Ti0.18 -","2","0.25","","Brigatti, M. F.; Medici, L.; Saccani, E.; Vaccaro, C.","Crystal chemistry and petrologic significance of Fe3±rich phlogopite from the Tapira carbonatite complex, Brazil Sample: Tae23-1c","American Mineralogist","1996","81","","913","927","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9001762","5.338","","9.247","","10.3","","90","","99.96","","90","","500.751","","","","","","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al0.72 F0.08 Fe0.69 H1.86 K0.99 Mg2.64 O11.92 Si2.92 Ti0.03 -","- Al0.72 F0.08 Fe0.69 H1.86 K0.99 Mg2.64 O11.92 Si2.92 Ti0.03 -","- Al1.44 F0.16 Fe1.38 H3.72 K1.98 Mg5.28 O23.84 Si5.84 Ti0.06 -","2","0.25","","Brigatti, M. F.; Medici, L.; Saccani, E.; Vaccaro, C.","Crystal chemistry and petrologic significance of Fe3±rich phlogopite from the Tapira carbonatite complex, Brazil Sample: Tpq16-4A","American Mineralogist","1996","81","","913","927","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9001763","5.332","","9.239","","10.291","","90","","99.94","","90","","499.349","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.12 Ba0.02 F0.1 Fe0.28 H1.74 K0.98 Mg2.67 Na0.01 O11.9 Si2.84 Ti0.09 -","- Al1.12 Ba0.02 F0.1 Fe0.28 H1.74 K0.98 Mg2.67 Na0.01 O11.9 Si2.84 Ti0.09 -","- Al2.24 Ba0.04 F0.2 Fe0.56 H3.48 K1.96 Mg5.34 Na0.02 O23.8 Si5.68 Ti0.18 -","2","0.25","","Brigatti, M. F.; Medici, L.; Saccani, E.; Vaccaro, C.","Crystal chemistry and petrologic significance of Fe3±rich phlogopite from the Tapira carbonatite complex, Brazil Sample: Tpt17-1","American Mineralogist","1996","81","","913","927","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9001764","5.357","","9.27","","10.319","","90","","99.96","","90","","504.712","","","","","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","Phlogopite","- F0.14 Fe1.09 H1.78 K0.99 Mg2.7 Na0.01 O11.86 Si3.12 -","- F0.14 Fe1.09 H1.78 K0.99 Mg2.7 Na0.01 O11.86 Si3.12 -","- F0.28 Fe2.18 H3.56 K1.98 Mg5.4 Na0.02 O23.72 Si6.24 -","2","0.25","","Brigatti, M. F.; Medici, L.; Saccani, E.; Vaccaro, C.","Crystal chemistry and petrologic significance of Fe3±rich phlogopite from the Tapira carbonatite complex, Brazil Sample: Tas22-1a","American Mineralogist","1996","81","","913","927","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9001765","5.358","","9.277","","10.308","","90","","99.99","","90","","504.603","","","","","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","Phlogopite","- F0.06 Fe1.16 H1.78 K0.98 Mg2.76 Na0.02 O11.94 Si3.08 -","- F0.06 Fe1.16 H1.78 K0.98 Mg2.76 Na0.02 O11.94 Si3.08 -","- F0.12 Fe2.32 H3.56 K1.96 Mg5.52 Na0.04 O23.88 Si6.16 -","2","0.25","","Brigatti, M. F.; Medici, L.; Saccani, E.; Vaccaro, C.","Crystal chemistry and petrologic significance of Fe3±rich phlogopite from the Tapira carbonatite complex, Brazil Sample: Tas22-1b","American Mineralogist","1996","81","","913","927","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9001766","5.356","","9.284","","10.309","","90","","100.03","","90","","504.782","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al0.04 F0.1 Fe1.22 H1.56 K0.95 Mg2.55 Na0.02 O11.9 Si3.16 Ti0.03 -","- Al0.04 F0.1 Fe1.22 H1.56 K0.95 Mg2.55 Na0.02 O11.9 Si3.16 Ti0.03 -","- Al0.08 F0.2 Fe2.44 H3.12 K1.9 Mg5.1 Na0.04 O23.8 Si6.32 Ti0.06 -","2","0.25","","Brigatti, M. F.; Medici, L.; Saccani, E.; Vaccaro, C.","Crystal chemistry and petrologic significance of Fe3±rich phlogopite from the Tapira carbonatite complex, Brazil Sample: Tpq16-6B","American Mineralogist","1996","81","","913","927","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9001767","9.816","","17.899","","5.297","","90","","105.35","","90","","897.465","","","","","","","","","","","","","12","C 1 2/m 1","-C 2y","12","","","Fluorocannilloite","- Al2.5 Ca4.73 F1.46 Fe0.45 H0.54 K0.05 Mg3.79 Mn0.08 Na0.7 O22.54 Si6.28 Ti0.02 -","- Al2.5 Ca4.73 F1.46 Fe0.45 H0.54 K0.05 Mg3.79 Mn0.08 Na0.7 O22.54 Si6.28 Ti0.02 -","- Al5 Ca9.46 F2.92 Fe0.9 H1.08 K0.1 Mg7.58 Mn0.16 Na1.4 O45.08 Si12.56 Ti0.04 -","2","0.25","","Hawthorne, F. C.; Oberti, R.; Ungaretti, L.; Grice, J. D.","A new hyper-calcic amphibole with Ca at the A site: Fluor-cannilloite from Pargas, Finland Sample: C1","American Mineralogist","1996","81","","995","1002","","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:09",""
"9001768","9.826","","17.906","","5.301","","90","","105.41","","90","","899.15","","","","","","","","","","","","","12","C 1 2/m 1","-C 2y","12","","","Fluorocannilloite","- Al3.18 Ca4.58 F1.54 Fe0.52 H0.46 K0.2 Mg3.72 Mn0.08 Na0.55 O22.46 Si5.64 Ti0.02 -","- Al3.18 Ca4.58 F1.54 Fe0.52 H0.46 K0.2 Mg3.72 Mn0.08 Na0.55 O22.46 Si5.64 Ti0.02 -","- Al6.36 Ca9.16 F3.08 Fe1.04 H0.92 K0.4 Mg7.44 Mn0.16 Na1.1 O44.92 Si11.28 Ti0.04 -","2","0.25","","Hawthorne, F. C.; Oberti, R.; Ungaretti, L.; Grice, J. D.","A new hyper-calcic amphibole with Ca at the A site: Fluor-cannilloite from Pargas, Finland Sample: C2","American Mineralogist","1996","81","","995","1002","","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:09",""
"9001769","9.836","","17.921","","5.306","","90","","105.4","","90","","901.712","","","","","","","","","","","","","12","C 1 2/m 1","-C 2y","12","","","Fluorocannilloite","- Al3.16 Ca4.68 F1.34 Fe0.48 H0.66 K0.25 Mg3.66 Mn0.12 Na0.6 O22.66 Si5.68 Ti0.02 -","- Al3.16 Ca4.68 F1.34 Fe0.48 H0.66 K0.25 Mg3.66 Mn0.12 Na0.6 O22.66 Si5.68 Ti0.02 -","- Al6.32 Ca9.36 F2.68 Fe0.96 H1.32 K0.5 Mg7.32 Mn0.24 Na1.2 O45.32 Si11.36 Ti0.04 -","2","0.25","","Hawthorne, F. C.; Oberti, R.; Ungaretti, L.; Grice, J. D.","A new hyper-calcic amphibole with Ca at the A site: Fluor-cannilloite from Pargas, Finland Sample: C3","American Mineralogist","1996","81","","995","1002","","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:09",""
"9001770","9.889","","17.978","","5.298","","90","","105.41","","90","","908.04","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Pargasite","- Al2.32 Ca2.25 F1.54 Fe0.2 H2 K0.65 Mg4.32 Na0.75 O22.46 Si6.12 Ti0.04 -","- Al2.32 Ca2.25 F1.54 Fe0.2 H2 K0.65 Mg4.32 Na0.75 O22.46 Si6.12 Ti0.04 -","- Al4.64 Ca4.5 F3.08 Fe0.4 H4 K1.3 Mg8.64 Na1.5 O44.92 Si12.24 Ti0.08 -","2","0.25","","Hawthorne, F. C.; Oberti, R.; Ungaretti, L.; Grice, J. D.","A new hyper-calcic amphibole with Ca at the A site: Fluor-cannilloite from Pargas, Finland Sample: BMS","American Mineralogist","1996","81","","995","1002","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:41:57",""
"9001771","12.5695","","12.5695","","12.5695","","90","","90","","90","","1985.89","","","","","","","","100","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Katoite","- Al2 Ca3 H12 O12 -","- Al2 Ca3 H12 O12 -","- Al16 Ca24 H96 O96 -","8","0.0833333","","Lager, G. A.; Von Dreele, R. B.","Neutron powder diffraction study of hydrogarnet to 9.0 GPa P = 0.0001 GPa","American Mineralogist","1996","81","","1097","1104","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001772","12.513","","12.513","","12.513","","90","","90","","90","","1959.22","","","","","","","","780000","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Katoite","- Al2 Ca3 H12 O12 -","- Al2 Ca3 H12 O12 -","- Al16 Ca24 H96 O96 -","8","0.0833333","","Lager, G. A.; Von Dreele, R. B.","Neutron powder diffraction study of hydrogarnet to 9.0 GPa P = 0.78 GPa","American Mineralogist","1996","81","","1097","1104","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001773","12.32","","12.32","","12.32","","90","","90","","90","","1869.96","","","","","","","","3600000","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Katoite","- Al2 Ca3 H12 O12 -","- Al2 Ca3 H12 O12 -","- Al16 Ca24 H96 O96 -","8","0.0833333","","Lager, G. A.; Von Dreele, R. B.","Neutron powder diffraction study of hydrogarnet to 9.0 GPa P = 3.6 GPa","American Mineralogist","1996","81","","1097","1104","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001774","12.163","","12.163","","12.163","","90","","90","","90","","1799.38","","","","","","","","6100000","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Katoite","- Al2 Ca3 H12 O12 -","- Al2 Ca3 H12 O12 -","- Al16 Ca24 H96 O96 -","8","0.0833333","","Lager, G. A.; Von Dreele, R. B.","Neutron powder diffraction study of hydrogarnet to 9.0 GPa P = 6.1 GPa","American Mineralogist","1996","81","","1097","1104","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001775","12.077","","12.077","","12.077","","90","","90","","90","","1761.48","","","","","","","","7900000","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Katoite","- Al2 Ca3 H12 O12 -","- Al2 Ca3 H12 O12 -","- Al16 Ca24 H96 O96 -","8","0.0833333","","Lager, G. A.; Von Dreele, R. B.","Neutron powder diffraction study of hydrogarnet to 9.0 GPa P = 7.9 GPa","American Mineralogist","1996","81","","1097","1104","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001776","12.024","","12.024","","12.024","","90","","90","","90","","1738.39","","","","","","","","9000000","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Katoite","- Al2 Ca3 H12 O12 -","- Al2 Ca3 H12 O12 -","- Al16 Ca24 H96 O96 -","8","0.0833333","","Lager, G. A.; Von Dreele, R. B.","Neutron powder diffraction study of hydrogarnet to 9.0 GPa P = 9.0 GPa","American Mineralogist","1996","81","","1097","1104","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001777","10.875","","9.326","","19.224","","90","","90.18","","90","","1949.69","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","Na6Si3[Si9O27]","- Na2 O9 Si4 -","- Na2 O9 Si4 -","- Na24 O108 Si48 -","12","3","","Fleet, M. E.","Sodium tetrasilicate: A complex high-pressure framework silicate (Na6Si3[Si9O27])","American Mineralogist","1996","81","","1105","1110","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001778","5.3267","","5.3267","","7.2539","","90","","90","","120","","178.246","","","","8","","","","","","","","","4","P 3 1 m","P 3 -2","157","","","Lizardite-1T","- H6 Mg3 O9 Si2 -","- H6 Mg3 O9 Si2 -","- H6 Mg3 O9 Si2 -","1","0.166667","","Gregorkiewitz, M.; Lebech, B.; Mellini, M.; Viti, C.","Hydrogen positions and thermal expansion in lizardite-1T from Elba: A low-temperature study using Rietveld refinement of neutron diffraction data T = 8 K","American Mineralogist","1996","81","","1111","1116","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001779","9.8293","","18.0307","","5.2752","","90","","104.846","","90","","903.71","","","","140","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","Tremolite","- Ca2 H2 Mg5 O24 Si8 -","- Ca2 H2 Mg5 O24 Si8 -","- Ca4 H4 Mg10 O48 Si16 -","2","0.25","","Yang, H.; Evans, B. W.","X-ray structure refinements of tremolite at 140 and 295 K: Crystal chemistry and petrologic implications T = 140 K","American Mineralogist","1996","81","","1117","1125","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001780","9.8356","","18.0557","","5.2785","","90","","104.782","","90","","906.377","","","","295","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","Tremolite","- Ca2 H2 Mg5 O24 Si8 -","- Ca2 H2 Mg5 O24 Si8 -","- Ca4 H4 Mg10 O48 Si16 -","2","0.25","","Yang, H.; Evans, B. W.","X-ray structure refinements of tremolite at 140 and 295 K: Crystal chemistry and petrologic implications T = 295 K","American Mineralogist","1996","81","","1117","1125","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001781","7.809","","14.554","","6.705","","90","","93.27","","90","","760.797","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","Fianelite","- As0.38 H4 Mn2 O9 V1.62 -","- As0.38 H4 Mn2 O9 V1.62 -","- As1.52 H16 Mn8 O36 V6.48 -","4","1","","Brugger, J.; Berlepsch, P.","Description and crystal structure of fianelite, Mn2V(V,As)O7.2H2O, a new mineral from Fianel, Val Ferrera, Graubunden, Switzerland","American Mineralogist","1996","81","","1270","1276","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9001782","10.267","","10.267","","3.9844","","90","","90","","120","","363.731","","","","","","","","","","","","","3","P -6","P -6","174","","","Laurelite","- Cl F6 Pb7 -","- Cl F6 Pb7 -","- Cl2 F12 Pb14 -","2","0.333333","","Merlino, S.; Pasero, M.; Perchiazzi, N.; Kampf, A. R.","Laurelite: Its crystal structure and relationship to alpha-PbF2","American Mineralogist","1996","81","","1277","1281","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001783","8.428","","13.054","","7.174","","90","","115.32","","90","","713.454","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","Feldspar","- Al O4 Pb0.5 Si -","- Al O4 Pb0.5 Si -","- Al8 O32 Pb4 Si8 -","8","1","","Benna, P.; Tribaudino, M.; Bruno, E.","The structure of ordered and disordered lead feldspar (PbAl2Si2O8) Sample: disordered","American Mineralogist","1996","81","","1337","1343","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:41:57",""
"9001784","8.388","","13.067","","14.327","","90","","115.19","","90","","1420.99","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","Feldspar","- Al2 O8 Pb0.5 Si2 -","- Al2 O8 Pb0.5 Si2 -","- Al16 O64 Pb4 Si16 -","8","1","","Benna, P.; Tribaudino, M.; Bruno, E.","The structure of ordered and disordered lead feldspar (PbAl2Si2O8) Sample: ordered","American Mineralogist","1996","81","","1337","1343","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:41:57",""
"9001785","16.06","","16.06","","9.792","","90","","90","","120","","2187.22","","","","","","","","","","","","","3","P 3","P 3","143","","","Bottinoite","- Ni O18 Sb2 -","- H24 Ni O18 Sb2 -","- H144 Ni6 O108 Sb12 -","6","2","","Bonazzi, P.; Mazzi, F.","Bottinoite, Ni(H2O)6[Sb(OH)6]2: Crystal structure, twinning and hydrogen-bond model Sample: BS2, synthetic Note: U(1,2) for Sb1 and Sb3 changed to match symmetry constraints.","American Mineralogist","1996","81","","1494","1500","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001786","16.045","","16.045","","9.784","","90","","90","","120","","2181.36","","","","","","","","","","","","Bottino mine, Apuan Alps, Italy","3","P 3","P 3","143","","","Bottinoite","- Ni O18 Sb2 -","- H24 Ni O18 Sb2 -","- H144 Ni6 O108 Sb12 -","6","2","","Bonazzi, P.; Mazzi, F.","Bottinoite, Ni(H2O)6[Sb(OH)6]2: Crystal structure, twinning and hydrogen-bond model Sample: BN1, natural Locality: Bottino mine, Apuan Alps, Italy Note: U(1,2) for Sb5 and Sb6 changed to match symmetry constraints.","American Mineralogist","1996","81","","1494","1500","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001787","6.786","","17.517","","7.742","","89.85","","94.07","","90.12","","917.969","","","","","","","","","","","","","7","P -1","-P 1","2","","","Brewsterite-Sr","- Al2.05 Ba0.45 H10 K0.01 O21 Si5.95 Sr0.5 -","- Al2.05 Ba0.45 H10 K0.01 O21 Si5.95 Sr0.5 -","- Al4.1 Ba0.9 H20 K0.02 O42 Si11.9 Sr -","2","1","","Akizuki, M.; Kudoh, Y.; Kuribayashi, T.","Crystal structures of the {011}, {610}, and {010} growth sectors in brewsterite Sample: {011} sector","American Mineralogist","1996","81","","1501","1506","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9001788","6.779","","17.53","","7.75","","89.98","","94.49","","90.13","","918.149","","","","","","","","","","","","","7","P -1","-P 1","2","","","Brewsterite-Ba","- Al2.15 Ba0.55 H10 K0.01 O21 Si5.85 Sr0.4 -","- Al2.15 Ba0.55 H10 K0.01 O21 Si5.85 Sr0.4 -","- Al4.3 Ba1.1 H20 K0.02 O42 Si11.7 Sr0.8 -","2","1","","Akizuki, M.; Kudoh, Y.; Kuribayashi, T.","Crystal structures of the {011}, {610}, and {010} growth sectors in brewsterite Sample: {610} sector","American Mineralogist","1996","81","","1501","1506","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9001789","6.785","","17.546","","7.74","","89.98","","94.25","","90.06","","918.91","","","","","","","","","","","","","7","P -1","-P 1","2","","","Brewsterite-Sr","- Al2.15 Ba0.24 H10 K0.01 O21 Si5.85 Sr0.67 -","- Al2.15 Ba0.24 H10 K0.01 O21 Si5.85 Sr0.67 -","- Al4.3 Ba0.48 H20 K0.02 O42 Si11.7 Sr1.34 -","2","1","","Akizuki, M.; Kudoh, Y.; Kuribayashi, T.","Crystal structures of the {011}, {610}, and {010} growth sectors in brewsterite Sample: {010} sector","American Mineralogist","1996","81","","1501","1506","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9001790","4.7362","","10.1682","","5.9401","","90","","90","","90","","286.067","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Liebenbergite","- Mg Ni O4 Si -","- Mg Ni O4 Si -","- Mg4 Ni4 O16 Si4 -","4","0.5","","Chen, J.; Li, R.; Parise, J. B.; Weidner, D. J.","Pressure-induced ordering in (Ni,Mg)2SiO4 olivine Sample: Room pressure, 23 C, (800 C quenched)","American Mineralogist","1996","81","","1519","1522","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001791","4.7325","","10.1454","","5.9313","","90","","90","","90","","284.78","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Liebenbergite","- Mg Ni O4 Si -","- Mg Ni O4 Si -","- Mg4 Ni4 O16 Si4 -","4","0.5","","Chen, J.; Li, R.; Parise, J. B.; Weidner, D. J.","Pressure-induced ordering in (Ni,Mg)2SiO4 olivine Sample: 4 GPa and 800 C, 40 min","American Mineralogist","1996","81","","1519","1522","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001792","4.733","","10.1452","","5.9303","","90","","90","","90","","284.757","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Liebenbergite","- Mg Ni O4 Si -","- Mg Ni O4 Si -","- Mg4 Ni4 O16 Si4 -","4","0.5","","Chen, J.; Li, R.; Parise, J. B.; Weidner, D. J.","Pressure-induced ordering in (Ni,Mg)2SiO4 olivine Sample: 4 GPa and 800 C, 63 min","American Mineralogist","1996","81","","1519","1522","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001793","4.7322","","10.1453","","5.9309","","90","","90","","90","","284.74","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Liebenbergite","- Mg Ni O4 Si -","- Mg Ni O4 Si -","- Mg4 Ni4 O16 Si4 -","4","0.5","","Chen, J.; Li, R.; Parise, J. B.; Weidner, D. J.","Pressure-induced ordering in (Ni,Mg)2SiO4 olivine Sample: 4 GPa and 800 C, 109 min","American Mineralogist","1996","81","","1519","1522","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001794","6.8912","","8.6234","","6.4065","","90","","113.057","","90","","350.297","","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Kunz, M.; Xirouchakis, D.; Lindsley, D. H.; Hausermann, D.","High-pressure phase transition in titanite (CaTiOSiO4) Sample: at 6.95 GPa Note: this is a not titanite but instead is a high-pressure polymorph of Ca, transfomred by pressure acting on titanite","American Mineralogist","1996","81","","1527","1530","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9004403","9.224","","9.18","","7.6","","90","","102.38","","90","","628.576","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","Jensenite","- Cu3 H4 O8 Te -","- Cu3 H4 O8 Te -","- Cu12 H16 O32 Te4 -","4","1","","Grice, J. D.; Groat, L. A.; Roberts, A. C.","Jensenite, a cupric tellurate framework structure with two coordinations of copper","The Canadian Mineralogist","1996","34","","55","59","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004404","6.144","","6.805","","9.112","","90","","99.55","","90","","375.692","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","Clinoatacamite","- Cl Cu2 O3 -","- Cl Cu2 O3 -","- Cl4 Cu8 O12 -","4","1","","Grice, J. D.; Szymanski, J. T.; Jambor, J. L.","The crystal structure of clinoatacamite, a new polymorph of Cu2(OH)3Cl","The Canadian Mineralogist","1996","34","","73","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004405","10.426","","12.074","","18.349","","101.84","","100.21","","90.6","","2222.26","","","","","","","","","","","","","4","A -1","-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)","2","","","Ludlockite","- As10 Fe4 O22 Pb -","- As10 Fe4 O22 Pb -","- As40 Fe16 O88 Pb4 -","4","","","Cooper, M. A.; Hawthorne, F. C.","The crystal structure of ludlockite, PbFe4As10O22, the mineral with pentameric arsenite groups and orange hair","The Canadian Mineralogist","1996","34","","79","89","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004406","9.512","","9.512","","33.074","","90","","90","","120","","2591.56","","","","","","","","","","","","","6","R -3 :H","-R 3","148","","","Shigaite","- Al3 H42 Mn6 Na O38 S2 -","- Al3 H42 Mn6 Na O38 S2 -","- Al9 H126 Mn18 Na3 O114 S6 -","3","0.166667","","Cooper, M. A.; Hawthorne, F. C.","The crystal structure of shigaite, [AlMn2(OH)6]3(SO4)2Na(H2O)6{H2O}6, a hydrotalcite-group mineral","The Canadian Mineralogist","1996","34","","91","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004407","15.517","","19.226","","6.1646","","90","","90","","90","","1839.08","","","","","","","","","","","","","5","P c n b","-P 2b 2ac","60","","","Rapidcreekite","- C H8 Ca2 O11 S -","- C H8 Ca2 O11 S -","- C8 H64 Ca16 O88 S8 -","8","1","","Cooper, M. A.; Hawthorne, F. C.","The crystal structure of rapidcreekite, Ca2(SO4)(CO3)(H2O)4, and its relation to the structure of gypsum","The Canadian Mineralogist","1996","34","","99","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004408","12.297","","14.66","","7.245","","90","","90","","90","","1306.08","","","","","","","","","","","","Mont Saint-Hilaire, Quebec, Canada","11","P 2 21 21","P 2bc 2","18","","","Phosinaite-(Ce)","- Ca1.98 Ce0.49 La0.32 Mn0.16 Na12.72 Nd0.07 O28 P4 Pr0.02 Si4 Th0.09 -","- Ca1.98 Ce0.49 La0.32 Mn0.16 Na12.72 Nd0.07 O28 P4 Pr0.02 Si4 Th0.09 -","- Ca3.96 Ce0.98 La0.64 Mn0.32 Na25.44 Nd0.14 O56 P8 Pr0.04 Si8 Th0.18 -","2","0.5","","McDonald, A. M.; Chao, G. Y.","Phosinaite-(Ce) from Mont Saint-Hilaire, Quebec: New data and structure refinement Locality: Mont Saint-Hilaire, Quebec, Canada","The Canadian Mineralogist","1996","34","","107","114","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004409","5.1765","","8.9872","","20.072","","90","","95.756","","90","","929.086","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Muscovite","- Al1.94 H2 K0.86 O12 Si3.86 -","- Al1.94 H2 K0.86 O12 Si3.86 -","- Al7.76 H8 K3.44 O48 Si15.44 -","4","0.5","","Liang, J.; Hawthorne, F. C.","Rietveld refinement of micaceous materials: muscovite-2M1, a comparison with single-crystal structure refinement Sample: Rietveld refinement (transmission mode)","The Canadian Mineralogist","1996","34","","115","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004410","5.1805","","8.994","","20.086","","90","","95.74","","90","","931.183","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Muscovite","- Al1.96 H2 K0.94 O12 Si3.8 -","- Al1.96 H2 K0.94 O12 Si3.8 -","- Al7.84 H8 K3.76 O48 Si15.2 -","4","0.5","","Liang, J.; Hawthorne, F. C.","Rietveld refinement of micaceous materials: muscovite-2M1, a comparison with single-crystal structure refinement Sample: Rietveld refinement (reflection mode)","The Canadian Mineralogist","1996","34","","115","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004411","5.18","","8.993","","20.069","","90","","95.69","","90","","930.283","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Muscovite","- Al1.93 H2 K0.894 O12 Si3.772 -","- Al1.93 H2 K0.894 O12 Si3.772 -","- Al7.72 H8 K3.576 O48 Si15.088 -","4","0.5","","Liang, J.; Hawthorne, F. C.","Rietveld refinement of micaceous materials: muscovite-2M1, a comparison with single-crystal structure refinement Sample: single-crystal refinement","The Canadian Mineralogist","1996","34","","115","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004412","9.668","","17.801","","5.309","","90","","104.09","","90","","886.191","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","","Fluor-nyboite","- Al1.66 Ca0.48 F1.14 Fe1.12 H0.86 Mg2.6 Na5.52 O22.86 Si7.6 Ti0.02 -","- Al1.66 Ca0.48 F1.14 Fe1.12 H0.86 Mg2.6 Na5.52 O22.86 Si7.6 Ti0.02 -","- Al3.32 Ca0.96 F2.28 Fe2.24 H1.72 Mg5.2 Na11.04 O45.72 Si15.2 Ti0.04 -","2","0.25","","Hawthorne F C; Oberti R; Sardone N","Sodium at the A site in clinoamphiboles: the effects of composition on patterns of order Sample: A1 - DJ102 N.3","The Canadian Mineralogist","1996","34","","577","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004413","9.673","","17.817","","5.315","","90","","104.08","","90","","888.488","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","","Fluor-nyboite","- Al1.6 Ca0.48 F1.16 Fe1.44 H0.84 Mg2.42 Na5.52 O22.84 Si7.52 Ti0.02 -","- Al1.6 Ca0.48 F1.16 Fe1.44 H0.84 Mg2.42 Na5.52 O22.84 Si7.52 Ti0.02 -","- Al3.2 Ca0.96 F2.32 Fe2.88 H1.68 Mg4.84 Na11.04 O45.68 Si15.04 Ti0.04 -","2","0.25","","Hawthorne F C; Oberti R; Sardone N","Sodium at the A site in clinoamphiboles: the effects of composition on patterns of order Sample: A2 - DJ102 N.4","The Canadian Mineralogist","1996","34","","577","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004414","9.678","","17.772","","5.31","","90","","104.21","","90","","885.361","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","","Nyboite","- Al1.94 Ca0.4 F0.22 Fe0.96 H1.78 Mg2.7 Na5.52 O23.78 Si7.44 Ti0.04 -","- Al1.94 Ca0.4 F0.22 Fe0.96 H1.78 Mg2.7 Na5.52 O23.78 Si7.44 Ti0.04 -","- Al3.88 Ca0.8 F0.44 Fe1.92 H3.56 Mg5.4 Na11.04 O47.56 Si14.88 Ti0.08 -","2","0.25","","Hawthorne F C; Oberti R; Sardone N","Sodium at the A site in clinoamphiboles: the effects of composition on patterns of order Sample: A3 - Q95 N.32","The Canadian Mineralogist","1996","34","","577","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004415","9.722","","17.862","","5.319","","90","","104.33","","90","","894.929","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","","Fluor-taramite","- Al1.58 Ca0.8 F1.02 Fe1.69 H0.98 Mg2.43 Na5.2 O22.98 Si7.28 Ti0.02 -","- Al1.58 Ca0.8 F1.02 Fe1.69 H0.98 Mg2.43 Na5.2 O22.98 Si7.28 Ti0.02 -","- Al3.16 Ca1.6 F2.04 Fe3.38 H1.96 Mg4.86 Na10.4 O45.96 Si14.56 Ti0.04 -","2","0.25","","Hawthorne F C; Oberti R; Sardone N","Sodium at the A site in clinoamphiboles: the effects of composition on patterns of order Sample: A4 - DJ102 N.12","The Canadian Mineralogist","1996","34","","577","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004416","9.772","","17.853","","5.31","","90","","104.83","","90","","895.522","","","","","","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","Taramite","- Al2 Ca1.06 Fe0.9 H2 Mg2.94 Na4.94 O24 Si7.12 Ti0.04 -","- Al2 Ca1.06 Fe0.9 H2 Mg2.94 Na4.94 O24 Si7.12 Ti0.04 -","- Al4 Ca2.12 Fe1.8 H4 Mg5.88 Na9.88 O48 Si14.24 Ti0.08 -","2","0.25","","Hawthorne F C; Oberti R; Sardone N","Sodium at the A site in clinoamphiboles: the effects of composition on patterns of order Sample: A5 - G230F N.3","The Canadian Mineralogist","1996","34","","577","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004417","9.79","","17.899","","5.319","","90","","104.9","","90","","900.715","","","","","","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","Taramite","- Al2.16 Ca1.2 Fe1.48 H2 Mg2.34 Na4.74 O24 Si7.04 Ti0.04 -","- Al2.16 Ca1.2 Fe1.48 H2 Mg2.34 Na4.74 O24 Si7.04 Ti0.04 -","- Al4.32 Ca2.4 Fe2.96 H4 Mg4.68 Na9.48 O48 Si14.08 Ti0.08 -","2","0.25","","Hawthorne F C; Oberti R; Sardone N","Sodium at the A site in clinoamphiboles: the effects of composition on patterns of order Sample: A6 - Q99 N.3","The Canadian Mineralogist","1996","34","","577","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004418","9.737","","17.875","","5.314","","90","","104.64","","90","","894.867","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","","Katophorite","- Al1.98 Ca1.12 F0.26 Fe1.4 H1.74 Mg2.42 Na4.8 O23.74 Si7.24 Ti0.04 -","- Al1.98 Ca1.12 F0.26 Fe1.4 H1.74 Mg2.42 Na4.8 O23.74 Si7.24 Ti0.04 -","- Al3.96 Ca2.24 F0.52 Fe2.8 H3.48 Mg4.84 Na9.6 O47.48 Si14.48 Ti0.08 -","2","0.25","","Hawthorne F C; Oberti R; Sardone N","Sodium at the A site in clinoamphiboles: the effects of composition on patterns of order Sample: A7 - D163 N.2","The Canadian Mineralogist","1996","34","","577","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004419","9.775","","17.928","","5.313","","90","","104.69","","90","","900.648","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","","Katophorite","- Al1.84 Ca1.26 F0.36 Fe1.82 H1.64 Mg2.34 Na4.56 O23.64 Si7.16 Ti0.02 -","- Al1.84 Ca1.26 F0.36 Fe1.82 H1.64 Mg2.34 Na4.56 O23.64 Si7.16 Ti0.02 -","- Al3.68 Ca2.52 F0.72 Fe3.64 H3.28 Mg4.68 Na9.12 O47.28 Si14.32 Ti0.04 -","2","0.25","","Hawthorne F C; Oberti R; Sardone N","Sodium at the A site in clinoamphiboles: the effects of composition on patterns of order Sample: A8 - D167 N.1","The Canadian Mineralogist","1996","34","","577","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004420","9.87","","17.991","","5.291","","90","","105.08","","90","","907.175","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Pargasite","- Al1.12 Ca1.48 Cr0.28 F0.06 Fe0.73 H1.94 Mg3.69 Na4.36 O23.94 Si7.24 Ti0.1 -","- Al1.12 Ca1.48 Cr0.28 F0.06 Fe0.73 H1.94 Mg3.69 Na4.36 O23.94 Si7.24 Ti0.1 -","- Al2.24 Ca2.96 Cr0.56 F0.12 Fe1.46 H3.88 Mg7.38 Na8.72 O47.88 Si14.48 Ti0.2 -","2","0.25","","Hawthorne F C; Oberti R; Sardone N","Sodium at the A site in clinoamphiboles: the effects of composition on patterns of order Sample: A9 - BM47 N.1","The Canadian Mineralogist","1996","34","","577","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004421","9.839","","17.963","","5.291","","90","","105.17","","90","","902.535","","","","","","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","Pargasite","- Al1.85 Ca0.98 Fe0.76 H2 Mg3.41 Na4.9 O24 Si7.08 Ti0.02 -","- Al1.85 Ca0.98 Fe0.76 H2 Mg3.41 Na4.9 O24 Si7.08 Ti0.02 -","- Al3.7 Ca1.96 Fe1.52 H4 Mg6.82 Na9.8 O48 Si14.16 Ti0.04 -","2","0.25","","Hawthorne F C; Oberti R; Sardone N","Sodium at the A site in clinoamphiboles: the effects of composition on patterns of order Sample: A10 - FE129 N.1","The Canadian Mineralogist","1996","34","","577","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004422","9.854","","17.931","","5.282","","90","","105.33","","90","","900.08","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Pargasite","- Al1.9 Ca1.78 Cr0.04 F0.04 Fe0.49 H1.96 Mg3.69 Na4.04 O23.96 Si7.04 Ti0.02 -","- Al1.9 Ca1.78 Cr0.04 F0.04 Fe0.49 H1.96 Mg3.69 Na4.04 O23.96 Si7.04 Ti0.02 -","- Al3.8 Ca3.56 Cr0.08 F0.08 Fe0.98 H3.92 Mg7.38 Na8.08 O47.92 Si14.08 Ti0.04 -","2","0.25","","Hawthorne F C; Oberti R; Sardone N","Sodium at the A site in clinoamphiboles: the effects of composition on patterns of order Sample: A11 - FE229 N.18","The Canadian Mineralogist","1996","34","","577","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004423","9.862","","17.928","","5.295","","90","","105.28","","90","","903.093","","","","","","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","Pargasite","- Al2.04 Ca1.76 F0.04 Fe0.69 H1.96 Mg3.23 Na4.24 O23.96 Si7.04 -","- Al2.04 Ca1.76 F0.04 Fe0.69 H1.96 Mg3.23 Na4.24 O23.96 Si7.04 -","- Al4.08 Ca3.52 F0.08 Fe1.38 H3.92 Mg6.46 Na8.48 O47.92 Si14.08 -","2","0.25","","Hawthorne F C; Oberti R; Sardone N","Sodium at the A site in clinoamphiboles: the effects of composition on patterns of order Sample: A12 - KP N.1","The Canadian Mineralogist","1996","34","","577","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004424","11.654","","12.78","","6.84","","90","","99.11","","90","","1005.89","","","","","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","Keyite","- As3 Cd Cu1.5 H4 O14 Zn2 -","- As3 Cd Cu1.5 H4 O14 Zn2 -","- As12 Cd4 Cu6 H16 O56 Zn8 -","4","0.5","","Cooper, M. A.; Hawthorne, F. C.","The crystal structure of keyite, Cu3(Zn,Cu)4Cd2(AsO4)6(H2O)2, an oxysalt mineral with essential cadmium","The Canadian Mineralogist","1996","34","","623","630","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004425","10.042","","17.349","","5.948","","90","","90","","90","","1036.25","","","","","","","","","","","","","4","P b n 21","P 2c -2ab","33","","","Shomiokite-(Y)","- C3 Na3 O12 Y -","- C3 Na3 O12 Y -","- C12 Na12 O48 Y4 -","4","1","","Grice, J. D.","The crystal structure of shomiokite-(Y)","The Canadian Mineralogist","1996","34","","649","655","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004426","11.62","","9.407","","8.726","","90","","98.58","","90","","943.158","","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","Penobsquisite","- B9 Ca2 Cl Fe H15 O23 -","- B9 Ca2 Cl Fe H15 O23 -","- B18 Ca4 Cl2 Fe2 H30 O46 -","2","1","","Grice, J. D.; Gault, R. A.; Van Velthuizen, J.","Penobsquisite: A new borate mineral with a complex framework structure","The Canadian Mineralogist","1996","34","","657","665","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004428","10.196","","6.616","","17.958","","90","","94.14","","90","","1208.23","","","","","","","","","","","","Mont St-Hilaire, Quebec, Canada","5","C 1 2/c 1","-C 2yc","15","","","Sabinaite","- C4 Na4 O16 Ti Zr2 -","- C4 Na4 O16 Ti Zr2 -","- C16 Na16 O64 Ti4 Zr8 -","4","0.5","","McDonald, A. M.","The crystal structure of sabinaite, Na4Zr2TiO4(CO3)4","The Canadian Mineralogist","1996","34","","811","815","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004429","6.5495","","6.6291","","6.4395","","116.364","","92.556","","95.506","","248.156","","","","","","","","","","","","Bokan Mountain, Prince of Wales Island, Alaska, USA","4","P -1","-P 1","2","","","Iimoriite-(Y)","- C O7 Si Y2 -","- C O7 Si Y2 -","- C2 O14 Si2 Y4 -","2","1","","Hughes J M; Foord E E; Jai-Nhuknan J; Bell J M","The atomic arrangement of Iimoriite-(Y), Y2(SiO4)(CO3)","The Canadian Mineralogist","1996","34","","817","820","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004431","12.87","","5.3813","","11.888","","90","","98.22","","90","","814.873","","","","","","","","","","","","Moctezuma, Sonora, Mexico","3","C 1 2/c 1","-C 2yc","15","","","Spiroffite","- Mn2 O8 Te3 -","- Mn2 O8 Te3 -","- Mn8 O32 Te12 -","4","0.5","","Cooper, M. A.; Hawthorne, F. C.","The crystal structure of spiroffite","The Canadian Mineralogist","1996","34","","821","826","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004432","16.406","","9.945","","24.47","","90","","105.73","","90","","3842.95","","","","","","","","","","","","Spluga Valley, Italy","11","C 1 2/c 1","-C 2yc","15","","","Arrojadite-(BaFe)","- Al0.5 Ba0.38 Ca0.94 Fe6.02 K0.06 Mg4.36 Na2.63 O50 P12 Pb0.03 Sr0.25 -","- Al0.5 Ba0.38 Ca0.94 Fe6.02 K0.06 Mg4.36 Na2.63 O50 P12 Pb0.03 Sr0.25 -","- Al2 Ba1.52 Ca3.76 Fe24.08 K0.24 Mg17.44 Na10.52 O200 P48 Pb0.12 Sr -","4","0.5","","Demartin, F.; Gramaccioli, C. M.; Pilati, T.; Sciesa, E.","Sigismundite, (Ba,K,Pb)Na3(Ca,Sr)(Fe,Mg,Mn)14Al(OH)2(PO4)12, a new Ba-rich member of the arrojadite group from Spluga Valley, Italy","The Canadian Mineralogist","1996","34","","827","834","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004433","9.857","","18.112","","5.309","","90","","104.81","","90","","916.328","","","","","","","","","","","","southwestern Finland","12","C 1 2/m 1","-C 2y","12","","","Hornblende","- Al Ca1.66 F0.2 Fe1.33 H2 K0.015 Mg3.49 Mn0.02 Na0.625 O23.8 Si7.28 Ti0.06 -","- Al Ca1.66 F0.2 Fe1.33 H2 K0.015 Mg3.49 Mn0.02 Na0.625 O23.8 Si7.28 Ti0.06 -","- Al2 Ca3.32 F0.4 Fe2.66 H4 K0.03 Mg6.98 Mn0.04 Na1.25 O47.6 Si14.56 Ti0.12 -","2","0.25","","Mancini, F.; Sillanpaa, R.; Marshall, B.; Papunen, H.","Magnesian hornblende from a metamorphosed ultramafic body in southwestern Finland: crystal chemistry and petrological implications","The Canadian Mineralogist","1996","34","","835","844","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004434","9.838","","17.991","","5.315","","90","","103.78","","90","","913.654","","","","","","","","","","","","Hurricane Mountain, New Hampshire, USA","12","C 1 2/m 1","-C 2y","12","","","Fluor-arfvedsonite","- Al0.12 F1.16 Fe4.3 H0.84 K0.32 Li0.48 Mn0.1 Na2.68 O22.84 Si7.88 Ti0.06 Zn0.06 -","- Al0.12 F1.16 Fe4.3 H0.84 K0.32 Li0.48 Mn0.1 Na2.68 O22.84 Si7.88 Ti0.06 Zn0.06 -","- Al0.24 F2.32 Fe8.6 H1.68 K0.64 Li0.96 Mn0.2 Na5.36 O45.68 Si15.76 Ti0.12 Zn0.12 -","2","0.25","","Hawthorne, F. C.; Oberti, R.; Ottolini, L.","Lithium-bearing fluor-arfvedsonite from Hurricane Mountain, New Hampshire: a crystal-chemical study Sample: H1 - 2[(K.32Na.68)Na2(Li.48Fe2.83Mn.10Zn.06Fe1.46Ti.07) (Si7.88Al0.12)O22(F1.14{OH}.85)]","The Canadian Mineralogist","1996","34","","1015","1019","","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9004435","9.832","","17.99","","5.316","","90","","103.79","","90","","913.179","","","","","","","","","","","","Hurricane Mountain, New Hampshire, USA","11","C 1 2/m 1","-C 2y","12","","","Fluor-arfvedsonite","- Al0.24 F1.36 Fe3.88 H0.64 K0.25 Li Na2.75 O22.64 Si7.76 Ti0.06 Zn0.06 -","- Al0.24 F1.36 Fe3.88 H0.64 K0.25 Li Na2.75 O22.64 Si7.76 Ti0.06 Zn0.06 -","- Al0.48 F2.72 Fe7.76 H1.28 K0.5 Li2 Na5.5 O45.28 Si15.52 Ti0.12 Zn0.12 -","2","0.25","","Hawthorne, F. C.; Oberti, R.; Ottolini, L.","Lithium-bearing fluor-arfvedsonite from Hurricane Mountain, New Hampshire: a crystal-chemical study Sample:H2 - 2[(K.25Na.75)Na2(Li.48Fe2.84Mn.11Zn.05Fe1.45Ti.07) (Si7.89Al0.11)O22(F1.35{OH}.65)]","The Canadian Mineralogist","1996","34","","1015","1019","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004436","12.87","","12.87","","16.096","","90","","90","","120","","2308.9","","","","","","","","","","","","","8","P -6","P -6","174","","","Liottite","- Al18 Ca6 Cl3.5 F0.501 K33 O92 S5.002 Si18 -","- Al18 Ca6 Cl3.5 F0.501 K33 O72 Os20 S5.00199 Si18 -","- Al18 Ca6 Cl3.5 F0.501 K33 O72 Os20 S5.00199 Si18 -","1","0.166667","","Ballirano, P.; Merlino, S.; Bonaccorsi, E.; Maras, A.","The crystal structure of liottite, a six-layer member of the cancrinite group","The Canadian Mineralogist","1996","34","","1021","1030","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004437","12.0396","","12.0396","","7.5427","","90","","90","","90","","1093.33","","","","","","","","","","","","","5","I 4/m","-I 4","87","","","Marialite","- Al3 Cl0.98 Na4 O24 Si9 -","- Al3 Cl0.98 Na4 O24 Si9 -","- Al6 Cl1.96 Na8 O48 Si18 -","2","0.125","","Sokolova, E. V.; Kabalov, Y. K.; Sherriff, B. L.; Teertstra, D. K.; Jenkins, D. M.; Kunath-Fandrei G; Goetz, S.; Jager, C.","Marialite: Rietveld structure-refinement and Si MAS and Al satellite transition NMR spectroscopy Sample: syn-mar","The Canadian Mineralogist","1996","34","","1039","1050","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004438","12.047","","12.047","","7.5602","","90","","90","","90","","1097.21","","","","","","","","","","","","","7","I 4/m","-I 4","87","","","Marialite","- Al3.12 Ca0.2 Cl K0.28 Na3.52 O24 Si8.88 -","- Al3.12 Ca0.2 Cl K0.28 Na3.52 O24 Si8.88 -","- Al6.24 Ca0.4 Cl2 K0.56 Na7.04 O48 Si17.76 -","2","0.125","","Sokolova, E. V.; Kabalov, Y. K.; Sherriff, B. L.; Teertstra, D. K.; Jenkins, D. M.; Kunath-Fandrei G; Goetz, S.; Jager, C.","Marialite: Rietveld structure-refinement and Si MAS and Al satellite transition NMR spectroscopy Sample: PAM-1","The Canadian Mineralogist","1996","34","","1039","1050","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004439","12.0489","","12.0489","","7.5665","","90","","90","","90","","1098.47","","","","","","","","","","","","","8","I 4/m","-I 4","87","","","Marialite","- Al3.24 Ca0.28 Cl0.95 H0.05 K0.28 Na3.44 O24.05 Si8.76 -","- Al3.24 Ca0.28 Cl0.95 H0.05 K0.28 Na3.44 O24.05 Si8.76 -","- Al6.48 Ca0.56 Cl1.9 H0.1 K0.56 Na6.88 O48.1 Si17.52 -","2","0.125","","Sokolova, E. V.; Kabalov, Y. K.; Sherriff, B. L.; Teertstra, D. K.; Jenkins, D. M.; Kunath-Fandrei G; Goetz, S.; Jager, C.","Marialite: Rietveld structure-refinement and Si MAS and Al satellite transition NMR spectroscopy Sample: PAM-2","The Canadian Mineralogist","1996","34","","1039","1050","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004440","12.0546","","12.0546","","7.5684","","90","","90","","90","","1099.79","","","","","","","","","","","","","8","I 4/m","-I 4","87","","","Marialite","- Al3.24 Ca0.28 Cl0.96 H0.04 K0.16 Na3.52 O24.04 Si8.76 -","- Al3.24 Ca0.28 Cl0.96 H0.04 K0.16 Na3.52 O24.04 Si8.76 -","- Al6.48 Ca0.56 Cl1.92 H0.08 K0.32 Na7.04 O48.08 Si17.52 -","2","0.125","","Sokolova, E. V.; Kabalov, Y. K.; Sherriff, B. L.; Teertstra, D. K.; Jenkins, D. M.; Kunath-Fandrei G; Goetz, S.; Jager, C.","Marialite: Rietveld structure-refinement and Si MAS and Al satellite transition NMR spectroscopy Sample: PAM-3","The Canadian Mineralogist","1996","34","","1039","1050","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004441","7.877","","16.609","","5.665","","90","","90.68","","90","","741.095","","","","","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","Staurolite","- Al8.4 Fe0.69 Mg0.68 O24 Si4 Ti0.04 Zn1.2 -","- Al8.4 Fe0.69 Mg0.68 O24 Si4 Ti0.04 Zn1.2 -","- Al16.8 Fe1.38 Mg1.36 O48 Si8 Ti0.08 Zn2.4 -","2","0.25","","Oberti, R.; Hawthorne, F. C.; Zanetti, A.; Ottolini, L.","Crystal-structure refinement of a highly ordered staurolite","The Canadian Mineralogist","1996","34","","1051","1057","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004442","15.736","","15.736","","11.72","","90","","90","","90","","2902.13","","","","","","","","","","","","","6","P 4/n n c :2","-P 4a 2bc","126","","","Vesuvianite","- Al11.04 B2.72 Ca19 Fe2.68 O78.8 Si18 -","- Al11.04 B2.72 Ca19 Fe2.68 O78.8 Si18 -","- Al22.08 B5.44 Ca38 Fe5.36 O157.6 Si36 -","2","0.125","","Groat, L. A.; Hawthorne, F. C.; Lager, G. A.; Schultz, A. J.; Ercit, T. S.","X-ray and neutron crystal-structure refinements of a boron-bearing vesuvianite Sample: X-ray data, 298 K","The Canadian Mineralogist","1996","34","","1059","1070","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004443","15.725","","15.725","","11.716","","90","","90","","90","","2897.08","","","","","","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","Vesuvianite","- Al11.04 B2.72 Ca19 Fe2.68 H8 O78.86 Si18 -","- Al11.04 B2.72 Ca19 Fe2.68 H8 O78.86 Si18 -","- Al22.08 B5.44 Ca38 Fe5.36 H16 O157.72 Si36 -","2","0.125","","Groat, L. A.; Hawthorne, F. C.; Lager, G. A.; Schultz, A. J.; Ercit, T. S.","X-ray and neutron crystal-structure refinements of a boron-bearing vesuvianite Sample: neutron data, 15 K","The Canadian Mineralogist","1996","34","","1059","1070","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004444","14.337","","16.813","","14.731","","90","","90","","90","","3550.88","","","","","","","","","","","","","3","P 21 c a","P -2ac 2a","29","","","Schoepite","- H18 O21 U4 -","- H18 O21 U4 -","- H144 O168 U32 -","8","2","","Finch, R. J.; Cooper, M. A.; Hawthorne, F. C.; Ewing, R. C.","The crystal structure of schoepite, [(UO2)8O2(OH)12](H2O)12","The Canadian Mineralogist","1996","34","","1071","1088","","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:55",""
"9004445","5.849","","5.849","","22.809","","90","","90","","120","","675.772","","","","","","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","Nezilovite","- Al Fe6.04 Mn2.52 O19 Pb Ti0.44 Zn1.9 -","- Al Fe6.04 Mn2.52 O19 Pb Ti0.44 Zn1.9 -","- Al2 Fe12.08 Mn5.04 O38 Pb2 Ti0.88 Zn3.8 -","2","0.0833333","","Bermanec, V.; Holtstam, D.; Sturman, D.; Criddle, A. J.; Back, M. E.; Scavnicar, S.","Nezilovite, a new member of the magnetoplumbite group, and the crystal chemistry of mognetoplumbite and hibonite","The Canadian Mineralogist","1996","34","","1287","1297","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004446","5.902","","5.902","","23.185","","90","","90","","120","","699.417","","","","","","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","Magnetoplumbite","- Ba0.02 Fe9.37 Mg0.25 Mn1.8 O19 Pb0.98 Sb0.58 -","- Ba0.02 Fe9.37 Mg0.25 Mn1.8 O19 Pb0.98 Sb0.58 -","- Ba0.04 Fe18.74 Mg0.5 Mn3.6 O38 Pb1.96 Sb1.16 -","2","0.0833333","","Bermanec, V.; Holtstam, D.; Sturman, D.; Criddle, A. J.; Back, M. E.; Scavnicar, S.","Nezilovite, a new member of the magnetoplumbite group, and the crystal chemistry of mognetoplumbite and hibonite","The Canadian Mineralogist","1996","34","","1287","1297","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004447","5.613","","5.613","","22.285","","90","","90","","120","","608.042","","","","","","","","","","","","","10","P 63/m m c","-P 6c 2c","194","","","Hibonite","- Al10.66 Ca0.85 Ce0.06 Fe0.3 La0.03 Mg0.53 Nd0.01 O19 Si0.06 Ti0.5 -","- Al10.66 Ca0.85 Ce0.06 Fe0.3 La0.03 Mg0.53 Nd0.01 O19 Si0.06 Ti0.5 -","- Al21.32 Ca1.7 Ce0.12 Fe0.6 La0.06 Mg1.06 Nd0.02 O38 Si0.12 Ti -","2","0.0833333","","Bermanec, V.; Holtstam, D.; Sturman, D.; Criddle, A. J.; Back, M. E.; Scavnicar, S.","Nezilovite, a new member of the magnetoplumbite group, and the crystal chemistry of mognetoplumbite and hibonite","The Canadian Mineralogist","1996","34","","1287","1297","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004448","7.225","","7.225","","17.03","","90","","90","","120","","769.876","","","","","","","","","","","","Tsumeb, Namibia","6","R 3 m :H","R 3 -2""","160","","","Gallobeudantite","- As Ga3 H9 O17 Pb6 S -","- As Ga3 H6 O14 Pb6 S -","- As3 Ga9 H18 O42 Pb18 S3 -","3","0.166667","","Jambor, J. L.; Owens, D. R.; Grice, J. D.; Feinglos, M. N.","Gallobeudantite, PbGa3[(AsO4),(SO4)]2(OH)6, a new mineral species from Tsumeb, Namibia, and associated new gallium analogues of the alunite - jarosite family Locality: Tsumeb, Namibia","The Canadian Mineralogist","1996","34","","1305","1315","","","","","","","","","","","","","","","","","","","","","","has coordinates","283912","2023-05-21","08:41:26",""
"9005264","8.531","","13.007","","7.179","","90","","116","","90","","715.981","","","","296.15","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","Sanidine","- Al Ba0.014 Fe0.003 K0.789 Na0.16 O8 Si3 -","- Al Ba0.014 Fe0.003 K0.789 Na0.16 O8 Si3 -","- Al4 Ba0.056 Fe0.012 K3.156 Na0.64 O32 Si12 -","4","0.5","","Kimata, M.; Shimizu, M.; Saito, S.","High-temperature crystal structure of sanidine Part II. The crystal structure of sanidine at 935 C Sample: T = 23 C, feldspar","European Journal of Mineralogy","1996","8","","15","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005265","8.677","","13.016","","7.184","","90","","115.73","","90","","730.913","","","","1208.15","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","Sanidine","- Al Ba0.014 Fe0.003 K0.789 Na0.16 O8 Si3 -","- Al Ba0.014 Fe0.003 K0.789 Na0.16 O8 Si3 -","- Al4 Ba0.056 Fe0.012 K3.156 Na0.64 O32 Si12 -","4","0.5","","Kimata, M.; Shimizu, M.; Saito, S.","High-temperature crystal structure of sanidine Part II. The crystal structure of sanidine at 935 C Sample: T = 935 C, feldspar","European Journal of Mineralogy","1996","8","","15","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005266","13.698","","25.213","","22.66","","90","","90","","90","","7826.03","","","","","","","","","","","","","9","C m c a","-C 2ac 2","64","","","Gottardiite","- Al2.346 Ca0.605 Fe0.017 H34 K0.022 Mg0.391 Na0.316 O45.601 Si14.637 -","- Al2.346 Ca0.6052 Fe0.017 H23.2016 K0.0221 Mg0.391 Na0.3162 O45.6008 Si14.637 -","- Al18.768 Ca4.8416 Fe0.136 H185.613 K0.1768 Mg3.128 Na2.5296 O364.806 Si117.096 -","8","","","Alberti, A.; Vezzalini, G.; Galli, E.; Quartieri, S.","The crystal structure of gottardiite, a new natural zeolite Note: occupancies altered to match chemical formula","European Journal of Mineralogy","1996","8","","69","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9005267","9.291","","9.008","","5.149","","90","","98.7","","90","","425.979","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","Reppiaite","- As2 H4 Ni5 O12 -","- As2 H4 Ni5 O12 -","- As4 H8 Ni10 O24 -","2","0.25","","Barbier, J.","Crystal structure of Ni5(AsO4)2(OH)4 and its comparison to other M5(XO4)2(OH)4 compounds","European Journal of Mineralogy","1996","8","","77","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005268","17.912","","18.474","","6.542","","90","","90","","90","","2164.79","","","","","","","","","","","","","4","C 1 1 21","","","","","Natrolite","- Al2 H3 O12 Si3 -","- Al2 H3 O12 Si3 -","- Al16 H24 O96 Si24 -","8","","","Stuckenschmidt, E.; Joswig, W.; Baur, W. H.","Flexibility and distortion of the collapsible framework of NAT topology: the crystal structure of H3O-natrolite","European Journal of Mineralogy","1996","8","","85","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005269","15.021","","8.6004","","16.4338","","90","","91.512","","90","","2122.29","","","","","","","","","","","","Synthetic","2","C 1","C 1","1","","","Tridymite","- O2 Si -","- O2 Si -","- O96 Si48 -","48","","","Graetsch, H.; Topalovic-Dierdorf I","29Si MAS NMR spectrum and superstructure of modulated tridymite L3-To(MX-1) Sample: superstructure","European Journal of Mineralogy","1996","8","","103","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005270","5.007","","8.6004","","8.2169","","90","","91.512","","90","","353.715","","","","","","","","","","","","Synthetic","2","C 1 c 1","C -2yc","9","","","Tridymite","- O2 Si -","- O2 Si -","- O16 Si8 -","8","2","","Graetsch, H.; Topalovic-Dierdorf I","29Si MAS NMR spectrum and superstructure of modulated tridymite L3-To(MX-1) Sample: average crystal structure","European Journal of Mineralogy","1996","8","","103","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005271","10.251","","13.447","","4.764","","90","","104.98","","90","","634.377","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","Erythrite","- As2 Co2.01 Fe0.74 H16 Ni0.25 O16 -","- As2 Co2.01 Fe0.74 H16 Ni0.25 O16 -","- As4 Co4.02 Fe1.48 H32 Ni0.5 O32 -","2","0.25","","Wildner, M.; Giester, G.; Lengauer, C. L.; McCammon, C. A.","Structure and crystal chemistry of vivianite-type compounds: Crystal structures of erythrite and annabergite with a Mossbauer study of erythrite","European Journal of Mineralogy","1996","8","","187","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005272","10.179","","13.309","","4.725","","90","","105","","90","","618.296","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","Annabergite","- As2 H16 Mg0.36 Ni2.64 O16 -","- As2 H16 Mg0.36 Ni2.64 O16 -","- As4 H32 Mg0.72 Ni5.28 O32 -","2","0.25","","Wildner, M.; Giester, G.; Lengauer, C. L.; McCammon, C. A.","Structure and crystal chemistry of vivianite-type compounds: Crystal structures of erythrite and annabergite with a Mossbauer study of erythrite","European Journal of Mineralogy","1996","8","","187","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005273","5.353","","16.176","","21.95","","90","","94.6","","90","","1894.53","","","","","","","","","","","","","6","A 1 2/m 1","-A 2y","12","","","Nafertisite","- Fe8 H6 Na3 O43 Si12 Ti2 -","- Fe8 H6 Na3 O43 Si12 Ti2 -","- Fe16 H12 Na6 O86 Si24 Ti4 -","2","0.25","","Ferraris, G.; Ivaldi, G.; Khomyakov, A. P.; Soboleva, S. V.; Belluso, E.; Pavese, A.","Nafertisite, a layer titanosilicate member of a polysomatic series including mica","European Journal of Mineralogy","1996","8","","241","249","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005274","9.725","","8.876","","5.263","","90","","108.53","","90","","430.745","","","","","","","","","","","","manganiferous quartzite in the United Arab Emirates","5","P 1 21/c 1","-P 2ybc","14","","","Kanoite","- Ca0.07 Mg1.131 Mn0.799 O6 Si2 -","- Ca0.07 Mg1.131 Mn0.799 O6 Si2 -","- Ca0.28 Mg4.524 Mn3.196 O24 Si8 -","4","1","","Gnos, E.; Armbruster, T.; Nyfeler, D.","Kanoite, donpeacorite and tirodite: Mn-Mg-silicates from a manganiferous quartzite in the United Arab Emirates Sample: pyroxene","European Journal of Mineralogy","1996","8","","251","261","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005275","9.083","","17.738","","10.209","","89.95","","124.58","","90","","1354.23","","","","","","","","","","","","Gibelsbach, Fiesch (Valais, Switzerland)","7","C 1","C 1","1","","","Epistilbite","- Al0.768 Ca0.333 H2.38 K0.024 Na0.038 O8 Si2.232 -","- Al0.768 Ca0.3335 H4 K0.0235 Na0.0375 O8 Si2.232 -","- Al6.144 Ca2.668 H32 K0.188 Na0.3 O64 Si17.856 -","8","","","Yang, P.; Armbruster, T.","(010) disorder, partial Si,Al ordering, and Ca distribution in triclinic (C1) epistilbite Sample: 293 K","European Journal of Mineralogy","1996","8","","263","271","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9005276","9.68","","8.828","","5.268","","90","","106.16","","90","","432.39","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.6 Ca Mg0.7 O6 Si1.7 -","- Al0.6 Ca Mg0.7 O6 Si1.7 -","- Al2.4 Ca4 Mg2.8 O24 Si6.8 -","4","0.5","","Tribaudino, M.","High-temperature crystal chemistry of C2/c clinopyroxenes along the join CaMgSi2O6-CaAl2SiO6 Sample: Di70CaTs30 at 25 C","European Journal of Mineralogy","1996","8","","273","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005277","9.703","","8.863","","5.281","","90","","106.24","","90","","436.032","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.6 Ca Mg0.7 O6 Si1.7 -","- Al0.6 Ca Mg0.7 O6 Si1.7 -","- Al2.4 Ca4 Mg2.8 O24 Si6.8 -","4","0.5","","Tribaudino, M.","High-temperature crystal chemistry of C2/c clinopyroxenes along the join CaMgSi2O6-CaAl2SiO6 Sample: Di70CaTs30 at 300 C","European Journal of Mineralogy","1996","8","","273","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005278","9.717","","8.886","","5.288","","90","","106.29","","90","","438.263","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.6 Ca Mg0.7 O6 Si1.7 -","- Al0.6 Ca Mg0.7 O6 Si1.7 -","- Al2.4 Ca4 Mg2.8 O24 Si6.8 -","4","0.5","","Tribaudino, M.","High-temperature crystal chemistry of C2/c clinopyroxenes along the join CaMgSi2O6-CaAl2SiO6 Sample: Di70CaTs30 at 500 C","European Journal of Mineralogy","1996","8","","273","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005279","9.733","","8.909","","5.296","","90","","106.35","","90","","440.652","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.6 Ca Mg0.7 O6 Si1.7 -","- Al0.6 Ca Mg0.7 O6 Si1.7 -","- Al2.4 Ca4 Mg2.8 O24 Si6.8 -","4","0.5","","Tribaudino, M.","High-temperature crystal chemistry of C2/c clinopyroxenes along the join CaMgSi2O6-CaAl2SiO6 Sample: Di70CaTs30 at 700 C","European Journal of Mineralogy","1996","8","","273","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005280","9.697","","8.85","","5.306","","90","","106.39","","90","","436.849","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al Ca Mg0.5 O6 Si1.5 -","- Al Ca Mg0.5 O6 Si1.5 -","- Al4 Ca4 Mg2 O24 Si6 -","4","0.5","","Tribaudino, M.","High-temperature crystal chemistry of C2/c clinopyroxenes along the join CaMgSi2O6-CaAl2SiO6 Sample: Di50CaTs50 at 700 C Note: coordinates for O3 were altered by the author May, 2003","European Journal of Mineralogy","1996","8","","273","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005281","15.6476","","15.6476","","7.3119","","90","","90","","120","","1550.44","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- Ge3 H2 O10 Pb3 -","- Ge3 H2 O10 Pb3 -","- Ge18 H12 O60 Pb18 -","6","0.333333","","Otto, H. H.; Brandt, H. J.","Crystal structure of Pb6[Ge6O18]2H2O, a lead cyclo-germanate similar to the mineral dioptase","European Journal of Mineralogy","1996","8","","301","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005282","5.295","","5.295","","5.372","","90","","90","","120","","130.436","","","","","","","","","","","","Cetine mine, Siena, Italy","3","P -3 1 m","-P 3 2","162","","","Rosiaite","- O6 Pb Sb2 -","- O6 Pb Sb2 -","- O6 Pb Sb2 -","1","0.0833333","","Basso, R.; Lucchetti, G.; Zefiro, L.; Palenzona, A.","Rosiaite, PbSb2O6, a new mineral from the Cetine mine, Siena, Italy","European Journal of Mineralogy","1996","8","","487","492","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005283","13.926","","6.958","","6.136","","90","","90","","90","","594.561","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca O8 P2 U -","- Ca O8 P2 U -","- Ca4 O32 P8 U4 -","4","0.5","","Dusausoy, Y.; Ghermani, N. E.; Podor, R.; Cuney, M.","Low-temperature ordered phase of CaU(PO4)2: synthesis and crystal structure","European Journal of Mineralogy","1996","8","","667","673","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005284","14.191","","2.851","","24.343","","90","","91.29","","90","","984.633","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","RUB-7","- Mn3 O6 Rb2.08 -","- Mn3 O6 Rb2.08 -","- Mn24 O48 Rb16.64 -","8","1","","Rziha, T.; Gies, H.; Rius, J.","RUB-7, a new synthetic manganese oxide structure type with a 2x4 tunnel","European Journal of Mineralogy","1996","8","","675","686","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005285","5.292","","9.187","","19.935","","90","","95.4","","90","","964.891","","","","","","","","","","","","Barbora mine, Krupka, Czech Republic","8","C 1 c 1","C -2yc","9","","","Zinnwaldite-2M1","- Al1.79 F0.91 Fe1.334 H1.09 K0.978 Li0.486 O11.09 Si3.11 -","- Al1.79 F0.91 Fe1.334 H1.09 K0.978 Li0.486 O11.09 Si3.11 -","- Al7.16 F3.64 Fe5.336 H4.36 K3.912 Li1.944 O44.36 Si12.44 -","4","1","","Rieder, M.; Hybler, J.; Smrcok, L.; Weiss, Z.","Refinement of the crystal structure of zinnwaldite 2M_1","European Journal of Mineralogy","1996","8","","1241","1248","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005286","17.358","","10.034","","5.946","","90","","90","","90","","1035.62","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","Shomiokite-(Y)","- C3 H6 Na3 O12 Y -","- C3 H6 Na3 O12 Y -","- C12 H24 Na12 O48 Y4 -","4","1","","Rastsvetaeva, R. K.; Pushcharovsky, D. Y.; Pekov, I. V.","Crystal structure of shomiokite-(Y), Na3Y(CO3)3*3H2O","European Journal of Mineralogy","1996","8","","1249","1255","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44",""
"9005287","5.487","","9.506","","10.826","","90","","99.83","","90","","556.388","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","Ferriannite-(Cs)","- Cs0.968 Fe3.824 H2 O12 Si3.124 -","- Cs0.968 Fe3.824 H2 O12 Si3.124 -","- Cs1.936 Fe7.648 H4 O24 Si6.248 -","2","0.25","","Mellini, M.; Weiss, Z.; Rieder, M.; Drabek, M.","Cs-ferriannite as a possible host for waste cesium: crystal structure and synthesis","European Journal of Mineralogy","1996","8","","1265","1271","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005288","6.0885","","7.2832","","7.7234","","115.71","","88.85","","92.89","","308.186","","","","","","","","","","","","","4","P 1","P 1","1","","","","- Al3 H3 O10 Si2 -","- Al3 H3 O10 Si2 -","- Al6 H6 O20 Si4 -","2","2","","Daniels, P.; Wunder, B.","Al3Si2O7(OH)3, phase Pi (formerly piezotite): Crystal structure of a synthetic high-pressure silicate rediscovered","European Journal of Mineralogy","1996","8","","1283","1292","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9006349","5.8604","","5.8604","","7.8528","","90","","90","","90","","269.699","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Cu F3 K -","- Cu F3 K -","- Cu4 F12 K4 -","4","0.125","","Burns, P. C.; Hawthorne, F. C.; Hofmeister, A. M.; Moret, S. L.","A structural phase-transition in K(Mg1-xCux)F3 perovskite Sample: x = 1.000","Physics and Chemistry of Minerals","1996","23","","141","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006350","5.8564","","5.8564","","7.8555","","90","","90","","90","","269.423","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Cu0.95 F3 K Mg0.05 -","- Cu0.95 F3 K Mg0.05 -","- Cu3.8 F12 K4 Mg0.2 -","4","0.125","","Burns, P. C.; Hawthorne, F. C.; Hofmeister, A. M.; Moret, S. L.","A structural phase-transition in K(Mg1-xCux)F3 perovskite Sample: x = 0.950","Physics and Chemistry of Minerals","1996","23","","141","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006351","5.8488","","5.8488","","7.8585","","90","","90","","90","","268.827","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Cu0.9 F3 K Mg0.1 -","- Cu0.9 F3 K Mg0.1 -","- Cu3.6 F12 K4 Mg0.4 -","4","0.125","","Burns, P. C.; Hawthorne, F. C.; Hofmeister, A. M.; Moret, S. L.","A structural phase-transition in K(Mg1-xCux)F3 perovskite Sample: x = 0.900","Physics and Chemistry of Minerals","1996","23","","141","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006352","5.8423","","5.8423","","7.8647","","90","","90","","90","","268.442","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Cu0.85 F3 K Mg0.15 -","- Cu0.85 F3 K Mg0.15 -","- Cu3.4 F12 K4 Mg0.6 -","4","0.125","","Burns, P. C.; Hawthorne, F. C.; Hofmeister, A. M.; Moret, S. L.","A structural phase-transition in K(Mg1-xCux)F3 perovskite Sample: x = 0.850","Physics and Chemistry of Minerals","1996","23","","141","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006353","5.8311","","5.8311","","7.8746","","90","","90","","90","","267.75","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Cu0.8 F3 K Mg0.2 -","- Cu0.8 F3 K Mg0.2 -","- Cu3.2 F12 K4 Mg0.8 -","4","0.125","","Burns, P. C.; Hawthorne, F. C.; Hofmeister, A. M.; Moret, S. L.","A structural phase-transition in K(Mg1-xCux)F3 perovskite Sample: x = 0.800","Physics and Chemistry of Minerals","1996","23","","141","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006354","5.8149","","5.8149","","7.8863","","90","","90","","90","","266.66","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Cu0.75 F3 K Mg0.25 -","- Cu0.75 F3 K Mg0.25 -","- Cu3 F12 K4 Mg -","4","0.125","","Burns, P. C.; Hawthorne, F. C.; Hofmeister, A. M.; Moret, S. L.","A structural phase-transition in K(Mg1-xCux)F3 perovskite Sample: x = 0.750","Physics and Chemistry of Minerals","1996","23","","141","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006355","5.8018","","5.8018","","7.9006","","90","","90","","90","","265.941","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Cu0.7 F3 K Mg0.3 -","- Cu0.7 F3 K Mg0.3 -","- Cu2.8 F12 K4 Mg1.2 -","4","0.125","","Burns, P. C.; Hawthorne, F. C.; Hofmeister, A. M.; Moret, S. L.","A structural phase-transition in K(Mg1-xCux)F3 perovskite Sample: x = 0.700","Physics and Chemistry of Minerals","1996","23","","141","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006356","5.7746","","5.7746","","7.9245","","90","","90","","90","","264.25","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Cu0.65 F3 K Mg0.35 -","- Cu0.65 F3 K Mg0.35 -","- Cu2.6 F12 K4 Mg1.4 -","4","0.125","","Burns, P. C.; Hawthorne, F. C.; Hofmeister, A. M.; Moret, S. L.","A structural phase-transition in K(Mg1-xCux)F3 perovskite Sample: x = 0.650","Physics and Chemistry of Minerals","1996","23","","141","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006357","4.0226","","4.0226","","4.0226","","90","","90","","90","","65.091","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Cu0.575 F3 K Mg0.425 -","- Cu0.575 F3 K Mg0.425 -","- Cu0.575 F3 K Mg0.425 -","1","0.0208333","","Burns, P. C.; Hawthorne, F. C.; Hofmeister, A. M.; Moret, S. L.","A structural phase-transition in K(Mg1-xCux)F3 perovskite Sample: x = 0.575","Physics and Chemistry of Minerals","1996","23","","141","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006358","4.0112","","4.0112","","4.0112","","90","","90","","90","","64.539","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Cu0.5 F3 K Mg0.5 -","- Cu0.5 F3 K Mg0.5 -","- Cu0.5 F3 K Mg0.5 -","1","0.0208333","","Burns, P. C.; Hawthorne, F. C.; Hofmeister, A. M.; Moret, S. L.","A structural phase-transition in K(Mg1-xCux)F3 perovskite Sample: x = 0.500","Physics and Chemistry of Minerals","1996","23","","141","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006359","4.0068","","4.0068","","4.0068","","90","","90","","90","","64.327","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Cu0.4 F3 K Mg0.6 -","- Cu0.4 F3 K Mg0.6 -","- Cu0.4 F3 K Mg0.6 -","1","0.0208333","","Burns, P. C.; Hawthorne, F. C.; Hofmeister, A. M.; Moret, S. L.","A structural phase-transition in K(Mg1-xCux)F3 perovskite Sample: x = 0.400","Physics and Chemistry of Minerals","1996","23","","141","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006360","3.9987","","3.9987","","3.9987","","90","","90","","90","","63.938","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Cu0.3 F3 K Mg0.7 -","- Cu0.3 F3 K Mg0.7 -","- Cu0.3 F3 K Mg0.7 -","1","0.0208333","","Burns, P. C.; Hawthorne, F. C.; Hofmeister, A. M.; Moret, S. L.","A structural phase-transition in K(Mg1-xCux)F3 perovskite Sample: x = 0.300","Physics and Chemistry of Minerals","1996","23","","141","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006361","3.9978","","3.9978","","3.9978","","90","","90","","90","","63.894","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Cu0.2 F3 K Mg0.8 -","- Cu0.2 F3 K Mg0.8 -","- Cu0.2 F3 K Mg0.8 -","1","0.0208333","","Burns, P. C.; Hawthorne, F. C.; Hofmeister, A. M.; Moret, S. L.","A structural phase-transition in K(Mg1-xCux)F3 perovskite Sample: x = 0.200","Physics and Chemistry of Minerals","1996","23","","141","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006362","3.9894","","3.9894","","3.9894","","90","","90","","90","","63.493","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Cu0.1 F3 K Mg0.9 -","- Cu0.1 F3 K Mg0.9 -","- Cu0.1 F3 K Mg0.9 -","1","0.0208333","","Burns, P. C.; Hawthorne, F. C.; Hofmeister, A. M.; Moret, S. L.","A structural phase-transition in K(Mg1-xCux)F3 perovskite Sample: x = 0.100","Physics and Chemistry of Minerals","1996","23","","141","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006363","3.9859","","3.9859","","3.9859","","90","","90","","90","","63.326","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- F3 K Mg -","- F3 K Mg -","- F3 K Mg -","1","0.0208333","","Burns, P. C.; Hawthorne, F. C.; Hofmeister, A. M.; Moret, S. L.","A structural phase-transition in K(Mg1-xCux)F3 perovskite Sample: x = 0.000","Physics and Chemistry of Minerals","1996","23","","141","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006364","14.8066","","13.1678","","7.5389","","90","","110.647","","90","","1375.45","","","","310","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","Laumontite","- Al2 Ca H9.4 O17.77 Si4 -","- Al2 Ca H9.4 O17.77 Si4 -","- Al8 Ca4 H37.6 O71.08 Si16 -","4","0.5","","Stahl, K.; Artioli, G.; Hanson, J. C.","The dehydration process in the zeolite laumontite: a real-time synchrotron X-ray powder diffraction study Sample: T = 310 K","Physics and Chemistry of Minerals","1996","23","","328","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006365","14.7612","","13.0891","","7.548","","90","","111.804","","90","","1354.02","","","","367","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","Laumontite","- Al2 Ca H7.92 O16.96 Si4 -","- Al2 Ca H7.92 O17.01 Si4 -","- Al8 Ca4 H31.68 O68.04 Si16 -","4","0.5","","Stahl, K.; Artioli, G.; Hanson, J. C.","The dehydration process in the zeolite laumontite: a real-time synchrotron X-ray powder diffraction study Sample: T = 367 K","Physics and Chemistry of Minerals","1996","23","","328","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:45",""
"9006366","14.6967","","13.0756","","7.47","","90","","111.785","","90","","1332.98","","","","425","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","Laumontite","- Al2 Ca H6.1 O16.1 Si4 -","- Al2 Ca H6.1 O16.1 Si4 -","- Al8 Ca4 H24.4 O64.4 Si16 -","4","0.5","","Stahl, K.; Artioli, G.; Hanson, J. C.","The dehydration process in the zeolite laumontite: a real-time synchrotron X-ray powder diffraction study Sample: T = 425 K","Physics and Chemistry of Minerals","1996","23","","328","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47",""
"9006367","14.5601","","13.1629","","7.4291","","90","","110.582","","90","","1332.93","","","","500","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","Laumontite","- Al2 Ca H4.24 O14.53 Si4 -","- Al2 Ca H4.24 O14.53 Si4 -","- Al8 Ca4 H16.96 O58.12 Si16 -","4","0.5","","Stahl, K.; Artioli, G.; Hanson, J. C.","The dehydration process in the zeolite laumontite: a real-time synchrotron X-ray powder diffraction study Sample: T = 500 K","Physics and Chemistry of Minerals","1996","23","","328","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47",""
"9006368","14.5279","","13.1979","","7.437","","90","","110.368","","90","","1336.8","","","","584","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","Laumontite","- Al2 Ca H3.68 O14.13 Si4 -","- Al2 Ca H3.68 O14.13 Si4 -","- Al8 Ca4 H14.72 O56.52 Si16 -","4","0.5","","Stahl, K.; Artioli, G.; Hanson, J. C.","The dehydration process in the zeolite laumontite: a real-time synchrotron X-ray powder diffraction study Sample: T = 584 K","Physics and Chemistry of Minerals","1996","23","","328","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47",""
"9006369","5.5937","","5.5937","","5.5937","","90","","90","","90","","175.024","","","","50","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Halite","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Wang, K.; Reeber, R. R.","Thermal expansion of alkali halides at high pressure: NaCl as an example Sample: T = 50 K, Molar volume = 26.35 cc/mol","Physics and Chemistry of Minerals","1996","23","","354","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006370","5.5986","","5.5986","","5.5986","","90","","90","","90","","175.484","","","","100","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Halite","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Wang, K.; Reeber, R. R.","Thermal expansion of alkali halides at high pressure: NaCl as an example Sample: T = 100 K, Molar volume = 26.42 cc/mol","Physics and Chemistry of Minerals","1996","23","","354","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006371","5.6071","","5.6071","","5.6071","","90","","90","","90","","176.285","","","","150","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Halite","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Wang, K.; Reeber, R. R.","Thermal expansion of alkali halides at high pressure: NaCl as an example Sample: T = 150 K, Molar volume = 26.54 cc/mol","Physics and Chemistry of Minerals","1996","23","","354","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006372","5.6162","","5.6162","","5.6162","","90","","90","","90","","177.145","","","","200","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Halite","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Wang, K.; Reeber, R. R.","Thermal expansion of alkali halides at high pressure: NaCl as an example Sample: T = 200 K, Molar volume = 26.67 cc/mol","Physics and Chemistry of Minerals","1996","23","","354","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006373","5.6267","","5.6267","","5.6267","","90","","90","","90","","178.14","","","","250","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Halite","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Wang, K.; Reeber, R. R.","Thermal expansion of alkali halides at high pressure: NaCl as an example Sample: T = 250 K, Molar volume = 26.82 cc/mol","Physics and Chemistry of Minerals","1996","23","","354","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006374","5.6379","","5.6379","","5.6379","","90","","90","","90","","179.206","","","","300","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Halite","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Wang, K.; Reeber, R. R.","Thermal expansion of alkali halides at high pressure: NaCl as an example Sample: T = 300 K, Molar volume = 26.98 cc/mol","Physics and Chemistry of Minerals","1996","23","","354","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006375","5.6497","","5.6497","","5.6497","","90","","90","","90","","180.333","","","","350","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Halite","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Wang, K.; Reeber, R. R.","Thermal expansion of alkali halides at high pressure: NaCl as an example Sample: T = 350 K, Molar volume = 27.15 cc/mol","Physics and Chemistry of Minerals","1996","23","","354","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006376","5.6622","","5.6622","","5.6622","","90","","90","","90","","181.533","","","","400","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Halite","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Wang, K.; Reeber, R. R.","Thermal expansion of alkali halides at high pressure: NaCl as an example Sample: T = 400 K, Molar volume = 27.33 cc/mol","Physics and Chemistry of Minerals","1996","23","","354","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006377","5.6746","","5.6746","","5.6746","","90","","90","","90","","182.728","","","","450","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Halite","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Wang, K.; Reeber, R. R.","Thermal expansion of alkali halides at high pressure: NaCl as an example Sample: T = 450 K, Molar volume = 27.51 cc/mol","Physics and Chemistry of Minerals","1996","23","","354","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006378","5.6869","","5.6869","","5.6869","","90","","90","","90","","183.919","","","","500","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Halite","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Wang, K.; Reeber, R. R.","Thermal expansion of alkali halides at high pressure: NaCl as an example Sample: T = 500 K, Molar volume = 27.69 cc/mol","Physics and Chemistry of Minerals","1996","23","","354","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006379","5.6999","","5.6999","","5.6999","","90","","90","","90","","185.183","","","","550","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Halite","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Wang, K.; Reeber, R. R.","Thermal expansion of alkali halides at high pressure: NaCl as an example Sample: T = 550 K, Molar volume = 27.88 cc/mol","Physics and Chemistry of Minerals","1996","23","","354","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006380","5.7135","","5.7135","","5.7135","","90","","90","","90","","186.512","","","","600","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Halite","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Wang, K.; Reeber, R. R.","Thermal expansion of alkali halides at high pressure: NaCl as an example Sample: T = 600 K, Molar volume = 28.08 cc/mol","Physics and Chemistry of Minerals","1996","23","","354","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006381","5.7277","","5.7277","","5.7277","","90","","90","","90","","187.906","","","","650","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Halite","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Wang, K.; Reeber, R. R.","Thermal expansion of alkali halides at high pressure: NaCl as an example Sample: T = 650 K, Molar volume = 28.29 cc/mol","Physics and Chemistry of Minerals","1996","23","","354","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006382","5.7425","","5.7425","","5.7425","","90","","90","","90","","189.366","","","","700","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Halite","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Wang, K.; Reeber, R. R.","Thermal expansion of alkali halides at high pressure: NaCl as an example Sample: T = 700 K, Molar volume = 28.51 cc/mol","Physics and Chemistry of Minerals","1996","23","","354","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006383","5.7579","","5.7579","","5.7579","","90","","90","","90","","190.894","","","","750","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Halite","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Wang, K.; Reeber, R. R.","Thermal expansion of alkali halides at high pressure: NaCl as an example Sample: T = 750 K, Molar volume = 28.74 cc/mol","Physics and Chemistry of Minerals","1996","23","","354","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006384","5.7739","","5.7739","","5.7739","","90","","90","","90","","192.49","","","","800","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Halite","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Wang, K.; Reeber, R. R.","Thermal expansion of alkali halides at high pressure: NaCl as an example Sample: T = 800 K, Molar volume = 28.98 cc/mol","Physics and Chemistry of Minerals","1996","23","","354","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006385","5.7904","","5.7904","","5.7904","","90","","90","","90","","194.145","","","","850","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Halite","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Wang, K.; Reeber, R. R.","Thermal expansion of alkali halides at high pressure: NaCl as an example Sample: T = 850 K, Molar volume = 29.23 cc/mol","Physics and Chemistry of Minerals","1996","23","","354","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006386","5.8076","","5.8076","","5.8076","","90","","90","","90","","195.88","","","","900","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Halite","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Wang, K.; Reeber, R. R.","Thermal expansion of alkali halides at high pressure: NaCl as an example Sample: T = 900 K, Molar volume = 29.49 cc/mol","Physics and Chemistry of Minerals","1996","23","","354","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006387","5.8259","","5.8259","","5.8259","","90","","90","","90","","197.738","","","","950","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Halite","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Wang, K.; Reeber, R. R.","Thermal expansion of alkali halides at high pressure: NaCl as an example Sample: T = 950 K, Molar volume = 29.77 cc/mol","Physics and Chemistry of Minerals","1996","23","","354","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006388","5.8447","","5.8447","","5.8447","","90","","90","","90","","199.658","","","","100","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Halite","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Wang, K.; Reeber, R. R.","Thermal expansion of alkali halides at high pressure: NaCl as an example Sample: T = 100 K, Molar volume = 30.06 cc/mol","Physics and Chemistry of Minerals","1996","23","","354","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006389","5.663","","11.546","","8.247","","90","","90","","90","","539.23","","","","","","","","","","","","Synthetic","4","I m m a","-I 2b 2","74","","","Wadsleyite","- H Mg3.47 O8 Si2 -","- H Mg3.47 O8 Si2 -","- H4 Mg13.88 O32 Si8 -","4","0.25","","Kudoh, Y.; Inoue, T.; Arashi, H.","Structure and crystal chemistry of hydrous wadsleyite, Mg1.75SiH0.5O4: possible hydrous magnesium silicate in the mantle transition zone","Physics and Chemistry of Minerals","1996","23","","461","469","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007694","5.709","","5.707","","5.708","","90","","90.01","","90","","185.974","","","","","","","","","","","","Villamanin, Leon, Spain","5","P 1 21 1","P 2yb","4","","","Villamaninite","- Co0.06 Cu0.68 Fe0.11 Ni0.15 S2 -","- Co0.06 Cu0.68 Fe0.11 Ni0.15 S2 -","- Co0.24 Cu2.72 Fe0.44 Ni0.6 S8 -","4","2","","Marcos, C.; Paniagua, A.; Moreiras, D. B.; Garcia-Granda S; Diaz, M. R.","Villamaninite, a case of noncubic pyrite-type structure Sample: 1 Note: anisoU's from ICSD","Acta Crystallographica, Section B","1996","52","6","899","904","10.1107/S0108768196002996","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007695","5.704","","5.703","","5.704","","90","","89.99","","90","","185.551","","","","","","","","","","","","Villamanin, Leon, Spain","5","P 1 21 1","P 2yb","4","","","Villamaninite","- Co0.13 Cu0.53 Fe0.07 Ni0.27 S2 -","- Co0.13 Cu0.53 Fe0.07 Ni0.27 S2 -","- Co0.52 Cu2.12 Fe0.28 Ni1.08 S8 -","4","2","","Marcos, C.; Paniagua, A.; Moreiras, D. B.; Garcia-Granda S; Diaz, M. R.","Villamaninite, a case of noncubic pyrite-type structure Sample: 2 Note: anisoU's from ICSD","Acta Crystallographica, Section B","1996","52","6","899","904","10.1107/S0108768196002996","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007888","10.076","","10.076","","6.807","","90","","90","","120","","598.498","","","","","","","","","","","","Synthetic","4","P 63/m","-P 6c","176","","","Turneaureite","- As3 Ca5 Cl O12 -","- As3 Ca5 Cl O12 -","- As6 Ca10 Cl2 O24 -","2","0.166667","","Wardojo, T. A.; Hwu, S.-J.","Chlorapatite: Ca5(AsO4)3Cl Note: anisotropic temperature factors taken from ICSD","Acta Crystallographica, Section C","1996","52","","2959","2960","10.1107/S0108270196011006","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9008435","8.678","","8.688","","12.29","","90","","90","","90","","926.598","","","","","","","","","","","","Synthetic","4","P c a 21","P 2c -2ac","29","","","Chambersite","- B7 Cl Mn3 O13 -","- B7 Cl Mn3 O13 -","- B28 Cl4 Mn12 O52 -","4","1","","Kubel, F.; Crottaz, O.","Crystal structure of manganese chlorine boracite, Mn3B7O13Cl","Zeitschrift fur Kristallographie","1996","211","","924","924","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9009393","6.762","","6.762","","11.068","","90","","90","","120","","438.278","","","","403.15","","","","","","heated at T = 130 C for 1 day","","Terlingua, Brewster County, Texas, USA","6","P 63/m m c","-P 6c 2c","194","","","Kleinite","- Cl H20 Hg4 N2 O S -","- Cl H2 Hg4 N2 O S -","- Cl2 H4 Hg8 N4 O2 S2 -","2","0.0833333","","Giester, G.; Mikenda, W.; Pertlik, F.","Kleinite from Terlingua, Brewster County, Texas: Investigations by single crystal X-ray diffraction, and vibrational spectroscopy","Neues Jahrbuch fur Mineralogie, Monatshefte","1996","1996","","49","56","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9009394","16.223","","17.029","","6.438","","90","","90","","90","","1778.57","","","","598","","","","","","","","Khibiny, Kola peninsula, Russia","4","C 1 2 1 (a+2*c,a,b)","C 2y (1/2*z,x-1/2*z,y)","5","","","Metanatrolite","- Al1.811 Na1.88 O10 Si2.73 -","- Al1.811 Na1.88 O10 Si2.73 -","- Al14.488 Na15.04 O80 Si21.84 -","8","","","Baur, W. H.; Joswig, W.","The phases of natrolite occurring during dehydration and rehydration studied by single crystal X-ray diffraction methods between room temperature and 923 K Locality: Khibiny, Kola peninsula, Russia Sample: T = 598 K, crystal IV, ""metanatrolite""","Neues Jahrbuch fur Mineralogie, Monatshefte","1996","1996","","171","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009395","16.244","","17.018","","6.4295","","90","","90","","90","","1777.37","","","","573","","","","","","","","Khibiny, Kola peninsula, Russia","4","C 1 2 1 (a+2*c,a,b)","C 2y (1/2*z,x-1/2*z,y)","5","","","Metanatrolite","- Al2 Na1.82 O10 Si3 -","- Al2 Na1.82 O10 Si3 -","- Al16 Na14.56 O80 Si24 -","8","","","Baur, W. H.; Joswig, W.","The phases of natrolite occurring during dehydration and rehydration studied by single crystal X-ray diffraction methods between room temperature and 923 K Locality: Khibiny, Kola peninsula, Russia Sample: T = 573 K, crystal II, ""metanatrolite""","Neues Jahrbuch fur Mineralogie, Monatshefte","1996","1996","","171","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009396","16.575","","17.427","","6.461","","90","","90","","90","","1866.28","","","","723","","","","","","","","Khibiny, Kola peninsula, Russia","4","C 1 2 1 (a+2*c,a,b)","C 2y (1/2*z,x-1/2*z,y)","5","","","Metanatrolite","- Al2 Na1.82 O10 Si3 -","- Al2 Na1.82 O10 Si3 -","- Al16 Na14.56 O80 Si24 -","8","","","Baur, W. H.; Joswig, W.","The phases of natrolite occurring during dehydration and rehydration studied by single crystal X-ray diffraction methods between room temperature and 923 K Locality: Khibiny, Kola peninsula, Russia Sample: T = 723 K, crystal II, ""metanatrolite""","Neues Jahrbuch fur Mineralogie, Monatshefte","1996","1996","","171","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009397","16.736","","17.622","","6.4649","","90","","90","","90","","1906.64","","","","773","","","","","","","","Khibiny, Kola peninsula, Russia","4","C 1 2 1 (a+2*c,a,b)","C 2y (1/2*z,x-1/2*z,y)","5","","","Metanatrolite","- Al2 Na1.74 O10 Si3 -","- Al2 Na1.74 O10 Si3 -","- Al16 Na13.92 O80 Si24 -","8","","","Baur, W. H.; Joswig, W.","The phases of natrolite occurring during dehydration and rehydration studied by single crystal X-ray diffraction methods between room temperature and 923 K Locality: Khibiny, Kola peninsula, Russia Sample: T = 773 K, crystal II, ""metanatrolite""","Neues Jahrbuch fur Mineralogie, Monatshefte","1996","1996","","171","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009398","16.292","","17.084","","6.449","","90","","90","","90","","1794.97","","","","573","","","","","","","","Khibiny, Kola peninsula, Russia","4","C 1 2 1 (a+2*c,a,b)","C 2y (1/2*z,x-1/2*z,y)","5","","","Metanatrolite","- Al2 Na1.92 O10 Si3 -","- Al2 Na1.92 O10 Si3 -","- Al16 Na15.36 O80 Si24 -","8","","","Baur, W. H.; Joswig, W.","The phases of natrolite occurring during dehydration and rehydration studied by single crystal X-ray diffraction methods between room temperature and 923 K Locality: Khibiny, Kola peninsula, Russia Sample: T = 573 K, crystal III, ""metanatrolite""","Neues Jahrbuch fur Mineralogie, Monatshefte","1996","1996","","171","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009399","17.324","","17.638","","6.416","","90","","90","","90","","1960.48","","","","823","","","","","","","","Khibiny, Kola peninsula, Russia","4","F d d 2","F 2 -2d","43","","","Natrolite","- Al2 Na2 O10 Si3 -","- Al2 Na2 O10 Si3 -","- Al16 Na16 O80 Si24 -","8","0.5","","Baur, W. H.; Joswig, W.","The phases of natrolite occurring during dehydration and rehydration studied by single crystal X-ray diffraction methods between room temperature and 923 K Locality: Khibiny, Kola peninsula, Russia Sample: T = 823 K, crystal III, ""high natrolite""","Neues Jahrbuch fur Mineralogie, Monatshefte","1996","1996","","171","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009400","17.328","","17.551","","6.385","","90","","90","","90","","1941.83","","","","573","","","","","","","","Khibiny, Kola peninsula, Russia","4","F d d 2","F 2 -2d","43","","","Natrolite","- Al2 Na2 O10 Si3 -","- Al2 Na2 O10 Si3 -","- Al16 Na16 O80 Si24 -","8","0.5","","Baur, W. H.; Joswig, W.","The phases of natrolite occurring during dehydration and rehydration studied by single crystal X-ray diffraction methods between room temperature and 923 K Locality: Khibiny, Kola peninsula, Russia Sample: T = 573 K, crystal III, ""high natrolite""","Neues Jahrbuch fur Mineralogie, Monatshefte","1996","1996","","171","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009401","18.221","","18.331","","6.536","","90","","90","","90","","2183.08","","","","293","","","","","","","","Khibiny, Kola peninsula, Russia","5","F d d 2","F 2 -2d","43","","","Natrolite","- Al2 H4 Na1.74 O11.5 Si3 -","- Al2 H3 Na1.74 O11.5 Si3 -","- Al16 H24 Na13.92 O92 Si24 -","8","0.5","","Baur, W. H.; Joswig, W.","The phases of natrolite occurring during dehydration and rehydration studied by single crystal X-ray diffraction methods between room temperature and 923 K Locality: Khibiny, Kola peninsula, Russia Sample: T = 293 K, crystal III, ""postnatrolite""","Neues Jahrbuch fur Mineralogie, Monatshefte","1996","1996","","171","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9009500","16.591","","7.58","","12.285","","90","","90","","90","","1544.96","","","","","","","","","","","","Broken Hill, NSW, Australia","5","C c c m","-C 2 2c","66","","","Carminite","- As2 Fe2 H2 O10 Pb -","- As2 Fe2 H2 O10 Pb -","- As16 Fe16 H16 O80 Pb8 -","8","0.5","","Kharisun; Taylor, M. R.; Bevan, D. J. M.; Pring, A.","The crystal structure of carminite: refinement and bond valence calculations","Mineralogical Magazine","1996","60","","805","811","10.1180/minmag.1996.060.402.11","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009501","10.094","","12.691","","7.24","","90","","111.02","","110.2","","804.337","","","","","","","","","","","","South Yukutia, Russia","7","P 1","P 1","1","","","Frankamenite","- Ca4.86 F2 H4 K2.87 Na3.14 O32.78 Si12 -","- Ca4.86 F2 H3.56 K2.87 Na3.14 O32.78 Si12 -","- Ca4.86 F2 H3.56 K2.87 Na3.14 O32.78 Si12 -","1","1","","Rozhdestvenskaya, I. V.; Nikishova, L. V.; Lazebnik, K. A.","The crystal structure of frankamenite","Mineralogical Magazine","1996","60","","897","905","10.1180/minmag.1996.060.403.05","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9009766","4.326","","4.326","","4.326","","90","","90","","90","","80.958","","","","298","","","","","","","","Synthetic","2","F m -3 m","-F 4 2 3","225","","","Wuestite","- Fe O -","- Fe O -","- Fe4 O4 -","4","0.0208333","","Fjellvag, H.; Gronvold, F.; Stolen, S.; Hauback, B. C.","On the crystallographic and magnetic structures of nearly stoichiometric iron monoxide Sample: Three-Phase Mixture FeO, T = 298 K","Journal of Solid State Chemistry","1996","124","","52","57","10.1006/jssc.1996.0206","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009767","4.3064","","4.3064","","4.3064","","90","","90","","90","","79.863","","","","298","","","","","","","","Synthetic","2","F m -3 m","-F 4 2 3","225","","","Wuestite","- Fe0.925 O -","- Fe0.925 O -","- Fe3.7 O4 -","4","0.0208333","","Fjellvag, H.; Gronvold, F.; Stolen, S.; Hauback, B. C.","On the crystallographic and magnetic structures of nearly stoichiometric iron monoxide Sample: Single-Phase Fe0.925O, T = 298 K","Journal of Solid State Chemistry","1996","124","","52","57","10.1006/jssc.1996.0206","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009768","8.4045","","8.4045","","8.4045","","90","","90","","90","","593.657","","","","298","","","","","","","","Synthetic","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Fe3 O4 -","- Fe3 O4 -","- Fe24 O32 -","8","0.0416667","","Fjellvag, H.; Gronvold, F.; Stolen, S.; Hauback, B. C.","On the crystallographic and magnetic structures of nearly stoichiometric iron monoxide Sample: T = 298 K","Journal of Solid State Chemistry","1996","124","","52","57","10.1006/jssc.1996.0206","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009769","8.3873","","8.3873","","8.3873","","90","","90","","90","","590.02","","","","12","","","","","","","","Synthetic","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Fe3 O4 -","- Fe3 O4 -","- Fe24 O32 -","8","0.0416667","","Fjellvag, H.; Gronvold, F.; Stolen, S.; Hauback, B. C.","On the crystallographic and magnetic structures of nearly stoichiometric iron monoxide Sample: T = 12 K","Journal of Solid State Chemistry","1996","124","","52","57","10.1006/jssc.1996.0206","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009770","6.132","","6.132","","6.132","","59.34","","59.34","","59.34","","160.589","","","","12","","","","","","","","Synthetic","2","R -3 :R","-P 3*","148","","","Wuestite","- Fe O -","- Fe O -","- Fe8 O8 -","8","1.33333","","Fjellvag, H.; Gronvold, F.; Stolen, S.; Hauback, B. C.","On the crystallographic and magnetic structures of nearly stoichiometric iron monoxide Note: low-temperature polymorph Sample: Three-Phase Mixture FeO, T = 12 K","Journal of Solid State Chemistry","1996","124","","52","57","10.1006/jssc.1996.0206","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009771","6.073","","6.073","","6.073","","59.92","","59.92","","59.92","","158.091","","","","12","","","","","","","","Synthetic","2","R -3 :R","-P 3*","148","","","Wuestite","- Fe0.925 O -","- Fe0.925 O -","- Fe7.4 O8 -","8","1.33333","","Fjellvag, H.; Gronvold, F.; Stolen, S.; Hauback, B. C.","On the crystallographic and magnetic structures of nearly stoichiometric iron monoxide Note: low-temperature polymorph Sample: Single-Phase Fe0.925O, T = 12 K","Journal of Solid State Chemistry","1996","124","","52","57","10.1006/jssc.1996.0206","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9010531","9.668","","17.801","","5.309","","90","","104.09","","90","","886.191","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Fluoronyboite","- Al1.66 Ca0.48 F1.14 Fe1.12 H0.86 K0.036 Mg2.6 Na2.306 O22.86 Si7.6 Ti0.02 -","- Al1.66 Ca0.48 F1.14 Fe1.12 H0.86 K0.036 Mg2.6 Na2.306 O22.86 Si7.6 Ti0.02 -","- Al3.32 Ca0.96 F2.28 Fe2.24 H1.72 K0.072 Mg5.2 Na4.612 O45.72 Si15.2 Ti0.04 -","2","0.25","","Hawthorne, F. C.; Oberti, R.; Sardone, N.","Sodium at the A site in clinoamphiboles: the effects of composition on patterns of order Sample: A1 - DJ102 N.3","The Canadian Mineralogist","1996","34","","577","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9010532","9.673","","17.817","","5.315","","90","","104.08","","90","","888.488","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Fluoronyboite","- Al1.6 Ca0.48 F1.16 Fe1.44 H0.84 K0.026 Mg2.42 Na2.364 O22.84 Si7.52 Ti0.02 -","- Al1.6 Ca0.48 F1.16 Fe1.44 H0.84 K0.026 Mg2.42 Na2.364 O22.84 Si7.52 Ti0.02 -","- Al3.2 Ca0.96 F2.32 Fe2.88 H1.68 K0.052 Mg4.84 Na4.728 O45.68 Si15.04 Ti0.04 -","2","0.25","","Hawthorne, F. C.; Oberti, R.; Sardone, N.","Sodium at the A site in clinoamphiboles: the effects of composition on patterns of order Sample: A2 - DJ102 N.4","The Canadian Mineralogist","1996","34","","577","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9010533","9.678","","17.772","","5.31","","90","","104.21","","90","","885.361","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Nyboite","- Al1.94 Ca0.4 F0.22 Fe0.96 H1.78 K0.042 Mg2.7 Na2.266 O23.78 Si7.44 Ti0.04 -","- Al1.94 Ca0.4 F0.22 Fe0.96 H1.78 K0.042 Mg2.7 Na2.266 O23.78 Si7.44 Ti0.04 -","- Al3.88 Ca0.8 F0.44 Fe1.92 H3.56 K0.084 Mg5.4 Na4.532 O47.56 Si14.88 Ti0.08 -","2","0.25","","Hawthorne, F. C.; Oberti, R.; Sardone, N.","Sodium at the A site in clinoamphiboles: the effects of composition on patterns of order Sample: A3 - Q95 N.32","The Canadian Mineralogist","1996","34","","577","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9010534","9.722","","17.862","","5.319","","90","","104.33","","90","","894.929","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Fluorotaramite","- Al1.58 Ca0.8 F1.02 Fe1.69 H0.98 K0.004 Mg2.43 Na2.106 O22.98 Si7.28 Ti0.02 -","- Al1.58 Ca0.8 F1.02 Fe1.69 H0.98 K0.004 Mg2.43 Na2.106 O22.98 Si7.28 Ti0.02 -","- Al3.16 Ca1.6 F2.04 Fe3.38 H1.96 K0.008 Mg4.86 Na4.212 O45.96 Si14.56 Ti0.04 -","2","0.25","","Hawthorne, F. C.; Oberti, R.; Sardone, N.","Sodium at the A site in clinoamphiboles: the effects of composition on patterns of order Sample: A4 - DJ102 N.12","The Canadian Mineralogist","1996","34","","577","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9010535","9.772","","17.853","","5.31","","90","","104.83","","90","","895.522","","","","","","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","Magnesiotaramite","- Al2.88 Ca1.06 Fe0.9 H2 Mg2.94 Na2.94 O24 Si6.24 Ti0.04 -","- Al2.88 Ca1.06 Fe0.9 H2 Mg2.94 Na2.94 O24 Si6.24 Ti0.04 -","- Al5.76 Ca2.12 Fe1.8 H4 Mg5.88 Na5.88 O48 Si12.48 Ti0.08 -","2","0.25","","Hawthorne, F. C.; Oberti, R.; Sardone, N.","Sodium at the A site in clinoamphiboles: the effects of composition on patterns of order Sample: A5 - G230F N.3","The Canadian Mineralogist","1996","34","","577","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010536","9.79","","17.899","","5.319","","90","","104.9","","90","","900.715","","","","","","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","Magnesiotaramite","- Al3.12 Ca1.2 Fe1.48 H2 Mg2.34 Na2.74 O24 Si6.08 Ti0.04 -","- Al3.12 Ca1.2 Fe1.48 H2 Mg2.34 Na2.74 O24 Si6.08 Ti0.04 -","- Al6.24 Ca2.4 Fe2.96 H4 Mg4.68 Na5.48 O48 Si12.16 Ti0.08 -","2","0.25","","Hawthorne, F. C.; Oberti, R.; Sardone, N.","Sodium at the A site in clinoamphiboles: the effects of composition on patterns of order Sample: A6 - Q99 N.3","The Canadian Mineralogist","1996","34","","577","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010537","9.737","","17.875","","5.314","","90","","104.64","","90","","894.867","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Magnesiokatophorite","- Al1.98 Ca1.12 F0.26 Fe1.4 H1.74 K0.022 Mg2.42 Na1.58 O23.74 Si7.24 Ti0.04 -","- Al1.98 Ca1.12 F0.26 Fe1.4 H1.74 K0.022 Mg2.42 Na1.58 O23.74 Si7.24 Ti0.04 -","- Al3.96 Ca2.24 F0.52 Fe2.8 H3.48 K0.044 Mg4.84 Na3.16 O47.48 Si14.48 Ti0.08 -","2","0.25","","Hawthorne, F. C.; Oberti, R.; Sardone, N.","Sodium at the A site in clinoamphiboles: the effects of composition on patterns of order Sample: A7 - D163 N.2","The Canadian Mineralogist","1996","34","","577","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9010538","9.775","","17.928","","5.313","","90","","104.69","","90","","900.648","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Magnesiokatophorite","- Al1.84 Ca1.26 F0.36 Fe1.82 H1.64 K0.036 Mg2.34 Na1.446 O23.64 Si7.16 Ti0.02 -","- Al1.84 Ca1.26 F0.36 Fe1.82 H1.64 K0.036 Mg2.34 Na1.446 O23.64 Si7.16 Ti0.02 -","- Al3.68 Ca2.52 F0.72 Fe3.64 H3.28 K0.072 Mg4.68 Na2.892 O47.28 Si14.32 Ti0.04 -","2","0.25","","Hawthorne, F. C.; Oberti, R.; Sardone, N.","Sodium at the A site in clinoamphiboles: the effects of composition on patterns of order Sample: A8 - D167 N.1","The Canadian Mineralogist","1996","34","","577","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9010539","9.87","","17.991","","5.291","","90","","105.08","","90","","907.175","","","","","","","","","","","","","12","C 1 2/m 1","-C 2y","12","","","Pargasite","- Al1.12 Ca1.48 Cr0.28 F0.06 Fe0.73 H1.94 K0.176 Mg3.69 Na1.12 O23.94 Si7.24 Ti0.1 -","- Al1.12 Ca1.48 Cr0.28 F0.06 Fe0.73 H1.94 K0.176 Mg3.69 Na1.12 O23.94 Si7.24 Ti0.1 -","- Al2.24 Ca2.96 Cr0.56 F0.12 Fe1.46 H3.88 K0.352 Mg7.38 Na2.24 O47.88 Si14.48 Ti0.2 -","2","0.25","","Hawthorne, F. C.; Oberti, R.; Sardone, N.","Sodium at the A site in clinoamphiboles: the effects of composition on patterns of order Sample: A9 - BM47 N.1","The Canadian Mineralogist","1996","34","","577","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9010540","9.839","","17.963","","5.291","","90","","105.17","","90","","902.535","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","","Pargasite","- Al1.85 Ca0.98 Fe0.76 H2 K0.018 Mg3.41 Na1.69 O24 Si7.08 Ti0.02 -","- Al1.85 Ca0.98 Fe0.76 H2 K0.018 Mg3.41 Na1.69 O24 Si7.08 Ti0.02 -","- Al3.7 Ca1.96 Fe1.52 H4 K0.036 Mg6.82 Na3.38 O48 Si14.16 Ti0.04 -","2","0.25","","Hawthorne, F. C.; Oberti, R.; Sardone, N.","Sodium at the A site in clinoamphiboles: the effects of composition on patterns of order Sample: A10 - FE129 N.1","The Canadian Mineralogist","1996","34","","577","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9010541","9.854","","17.931","","5.282","","90","","105.33","","90","","900.08","","","","","","","","","","","","","12","C 1 2/m 1","-C 2y","12","","","Pargasite","- Al1.9 Ca1.78 Cr0.04 F0.04 Fe0.49 H1.96 K0.01 Mg3.69 Na0.944 O23.96 Si7.04 Ti0.02 -","- Al1.9 Ca1.78 Cr0.04 F0.04 Fe0.49 H1.96 K0.01 Mg3.69 Na0.944 O23.96 Si7.04 Ti0.02 -","- Al3.8 Ca3.56 Cr0.08 F0.08 Fe0.98 H3.92 K0.02 Mg7.38 Na1.888 O47.92 Si14.08 Ti0.04 -","2","0.25","","Hawthorne, F. C.; Oberti, R.; Sardone, N.","Sodium at the A site in clinoamphiboles: the effects of composition on patterns of order Sample: A11 - FE229 N.18","The Canadian Mineralogist","1996","34","","577","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9010542","9.862","","17.928","","5.295","","90","","105.28","","90","","903.093","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","","Pargasite","- Al2.04 Ca1.76 F0.04 Fe0.69 H1.96 K0.038 Mg3.23 Na1.204 O23.96 Si7.04 -","- Al2.04 Ca1.76 F0.04 Fe0.69 H1.96 K0.038 Mg3.23 Na1.204 O23.96 Si7.04 -","- Al4.08 Ca3.52 F0.08 Fe1.38 H3.92 K0.076 Mg6.46 Na2.408 O47.92 Si14.08 -","2","0.25","","Hawthorne, F. C.; Oberti, R.; Sardone, N.","Sodium at the A site in clinoamphiboles: the effects of composition on patterns of order Sample: A12 - KP N.1","The Canadian Mineralogist","1996","34","","577","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9011384","7.9268","","7.9268","","9.1025","","90","","90","","90","","571.948","","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","Hydroromarchite","- H2 O4 Sn3 -","- H2 O4 Sn3 -","- H8 O16 Sn12 -","4","0.5","","Abrahams, I.; Grimes, S. M.; Johnston, S. R.; Knowles, J. C.","Tin(II) oxyhydroxide by X-ray powder diffraction Locality: synthetic","Acta Crystallographica, Section C","1996","52","","286","288","10.1107/S0108270195012625","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011508","5.4143","","6.336","","10.47","","94.32","","90.06","","90.27","","358.149","","","","","","","","","","","","San Francisco mine, Sierra Gorda, northeast of Antofagasta, Chile","5","P -1","-P 1","2","","","Christelite","- Cu2 H14 O18 S2 Zn3 -","- Cu2 H14 O18 S2 Zn3 -","- Cu2 H14 O18 S2 Zn3 -","1","0.5","","Adiwidjaja, G.; Friese, K.; Klaska, K. H.; Schluter, J.","The crystal structure of christelite Zn3Cu2(SO4)2(OH)6*4(H2O) Note: anisoU's from ICSD","Zeitschrift fur Kristallographie","1996","211","","518","521","10.1524/zkri.1996.211.8.518","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:42",""
"9011509","6.95","","6.95","","8.638","","90","","90","","90","","417.237","","","","","","","","","","","","Sonora, Mexico","5","P 4/n m m :2","-P 4a 2a","129","","","Metatorbernite","- Cu0.5 H8 O10 P U -","- Cu0.5 H8 O10 P U -","- Cu H16 O20 P2 U2 -","2","0.125","","Calos, N. J.; Kennard, C. H. L.","Crystal structure of copper bis(uranyl phosphate) octahydrate (metatobernite), Cu(UO2PO4)2*8(H2O) Locality: Sonora, Mexico","Zeitschrift fur Kristallographie","1996","211","","701","702","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011726","5.62","","5.72","","3.05","","90","","90","","90","","98.047","","","","","","","","31300000","","","","Synthetic","1","I m m a","-I 2b 2","74","Strontium-III","","Strontium-III","- Sr -","- Sr -","- Sr4 -","4","0.25","","Winzenick, M.; Holzapfel, W. B.","Structural study on the high-pressure phase strontium III Sample: at P = 31.3 GPa","Physical Review B - Condensed Matter","1996","53","","2151","2154","10.1103/PhysRevB.53.2151","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011752","10.321","","10.321","","10.321","","90","","90","","90","","1099.42","","","","","","","","","","","","Ozernoya deposit, Kamchatka, Russia","6","I -4 3 m","I -4 2 3","217","","","Goldfieldite","- As0.5 Cu10.998 S11.98 Sb Se0.72 Te2.5 -","- As0.5 Cu10.998 S11.98 Sb Se0.72 Te2.5 -","- As Cu21.996 S23.96 Sb2 Se1.44 Te5 -","2","0.0416667","","Pohl, D.; Liessmann, W.; Okrugin, V. M.","Rietveld analysis of selenium-bearing goldfieldites","Neues Jahrbuch fur Mineralogie, Monatshefte","1996","1996","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011753","10.338","","10.338","","10.338","","90","","90","","90","","1104.87","","","","","","","","","","","","Ozernoya deposit, Kamchatka, Russia","7","I -4 3 m","I -4 2 3","217","","","Goldfieldite","- As0.3 Bi0.1 Cu10.2 S11.53 Sb0.8 Se0.72 Te2.8 -","- As0.3 Bi0.1 Cu10.2 S11.53 Sb0.8 Se0.72 Te2.8 -","- As0.6 Bi0.2 Cu20.4 S23.06 Sb1.6 Se1.44 Te5.6 -","2","0.0416667","","Pohl, D.; Liessmann, W.; Okrugin, V. M.","Rietveld analysis of selenium-bearing goldfieldites","Neues Jahrbuch fur Mineralogie, Monatshefte","1996","1996","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011754","10.341","","10.341","","10.341","","90","","90","","90","","1105.83","","","","","","","","","","","","Ozernoya deposit, Kamchatka, Russia","7","I -4 3 m","I -4 2 3","217","","","Goldfieldite","- As0.2 Bi0.1 Cu10.002 S11.7 Sb0.9 Se0.6 Te2.8 -","- As0.2 Bi0.1 Cu10.002 S11.7 Sb0.9 Se0.6 Te2.8 -","- As0.4 Bi0.2 Cu20.004 S23.4 Sb1.8 Se1.2 Te5.6 -","2","0.0416667","","Pohl, D.; Liessmann, W.; Okrugin, V. M.","Rietveld analysis of selenium-bearing goldfieldites","Neues Jahrbuch fur Mineralogie, Monatshefte","1996","1996","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011755","10.334","","10.334","","10.334","","90","","90","","90","","1103.58","","","","","","","","","","","","Ozernoya deposit, Kamchatka, Russia","7","I -4 3 m","I -4 2 3","217","","","Goldfieldite","- As0.5 Bi0.2 Cu10.302 S11.85 Sb0.7 Se0.6 Te2.6 -","- As0.5 Bi0.2 Cu10.302 S11.85 Sb0.7 Se0.6 Te2.6 -","- As Bi0.4 Cu20.604 S23.7 Sb1.4 Se1.2 Te5.2 -","2","0.0416667","","Pohl, D.; Liessmann, W.; Okrugin, V. M.","Rietveld analysis of selenium-bearing goldfieldites","Neues Jahrbuch fur Mineralogie, Monatshefte","1996","1996","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011756","10.335","","10.335","","10.335","","90","","90","","90","","1103.9","","","","","","","","","","","","Ozernoya deposit, Kamchatka, Russia","6","I -4 3 m","I -4 2 3","217","","","Goldfieldite","- As0.1 Cu2.875 S2.79 Sb0.225 Se0.21 Te0.675 -","- As0.1 Cu2.8755 S2.79 Sb0.225 Se0.21 Te0.675 -","- As0.8 Cu23.004 S22.32 Sb1.8 Se1.68 Te5.4 -","8","0.166667","","Pohl, D.; Liessmann, W.; Okrugin, V. M.","Rietveld analysis of selenium-bearing goldfieldites","Neues Jahrbuch fur Mineralogie, Monatshefte","1996","1996","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011757","13.386","","13.386","","22.591","","90","","90","","120","","3505.64","","","","","","","","","","","","Iki Island, Nagasaki Prefecture, Japan","7","R -3 m :H","-R 3 2""","166","","","Levyne-Ca","- Al3.128 Ca0.79 H36 K0.11 Na0.48 O25.77 Si5.872 -","- Al3.1284 Ca0.79 H15.54 K0.11 Na0.48 O25.77 Si5.8716 -","- Al18.7704 Ca4.74 H93.24 K0.66 Na2.88 O154.62 Si35.2296 -","6","0.166667","","Sacerdoti, M.","New refinements of the crystal structure of levyne using twinned crystals Sample: 10","Neues Jahrbuch fur Mineralogie, Monatshefte","1996","1996","","114","124","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9011758","13.409","","13.409","","22.6429","","90","","90","","120","","3525.78","","","","","","","","","","","","Dunseverick, Atrum, Northern Ireland","6","R -3 m :H","-R 3 2""","166","","","Levyne-Ca","- Al6.268 Ca1.66 H62.04 Na1.36 O52.38 Si11.732 -","- Al6.2676 Ca1.66 H32.76 Na1.36 O52.38 Si11.7324 -","- Al18.8028 Ca4.98 H98.28 Na4.08 O157.14 Si35.1972 -","3","0.0833333","","Sacerdoti, M.","New refinements of the crystal structure of levyne using twinned crystals Sample: 22","Neues Jahrbuch fur Mineralogie, Monatshefte","1996","1996","","114","124","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9011759","13.372","","13.372","","22.64","","90","","90","","120","","3505.9","","","","","","","","","","","","Hvalfiordur, Iceland","7","R -3 m :H","-R 3 2""","166","","","Levyne-Ca","- Al5.989 Ca1.64 H72 K0.14 Na2 O50.1 Si12.011 -","- Al5.9886 Ca1.64 H28.2 K0.14 Na2 O50.1 Si12.0114 -","- Al17.9658 Ca4.92 H84.6 K0.42 Na6 O150.3 Si36.0342 -","3","0.0833333","","Sacerdoti, M.","New refinements of the crystal structure of levyne using twinned crystals Sample: 12","Neues Jahrbuch fur Mineralogie, Monatshefte","1996","1996","","114","124","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9011779","9.846","","7.6","","4.766","","90","","90.11","","90","","356.637","","","","","","","","","","","","","10","P 1 21/a 1","-P 2yab","14","","","Datolite","- B Be Ca0.9 Ce0.26 Fe0.25 H1.3 Mn0.05 O10 Si2 Y0.84 -","- B Be Ca0.9 Ce0.26 Fe0.25 H1.3 Mn0.05 O10 Si2 Y0.84 -","- B2 Be2 Ca1.8 Ce0.52 Fe0.5 H2.6 Mn0.1 O20 Si4 Y1.68 -","2","0.5","","Rastsvetaeva, R. K.; Pushcharovsky, D. Y.; Pekov, I. V.; Voloshin, A. V.","Crystal structure of calcybeborosilite and its place in the datolite-gadolinite isomorphous series","Kristallografiya","1996","41","","235","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011801","10.237","","9.662","","5.562","","90","","94.36","","90","","548.545","","","","","","","","","","","","Ojuela mine, Mapimi, Mexico","5","P 1 21/c 1","-P 2ybc","14","","","Ojuelaite","- As2 Fe2 H10 O14 Zn -","- As2 Fe2 H10 O14 Zn -","- As4 Fe4 H20 O28 Zn2 -","2","0.5","","Hughes, J. M.; Bloodaxe, E. S.; Kobel, K. D.; Drexler, J. W.","The atomic arrangement of ojuelaite, ZnFe(3+)2(AsO4)2(OH)2*4H2O","Mineralogical Magazine","1996","60","","519","521","10.1180/minmag.1996.060.400.15","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011802","4.11","","4.11","","7.246","","90","","90","","90","","122.4","","","","","","","","","","","","Baratti beach, Tuscany, Italy","3","P 4/n m m :2","-P 4a 2a","129","","","Matlockite","- Cl F Pb -","- Cl F Pb -","- Cl2 F2 Pb2 -","2","0.125","","Pasero, M.; Perchiazzi, N.","Crystal structure refinement of matlockite","Mineralogical Magazine","1996","60","","833","836","10.1180/minmag.1996.060.402.15","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012067","10.2573","","13.4211","","4.7526","","90","","105.076","","90","","631.744","","","","","","","","","","","","Synthetic","5","C 1 2/m 1","-C 2y","12","","","Hornesite","- As2 H16 Mg2.484 Ni0.516 O16 -","- As2 H16 Mg2.484 Ni0.516 O16 -","- As4 H32 Mg4.968 Ni1.032 O32 -","2","0.25","","Rojo, J. M.; Mesa, J. L.; Pizarro, J. L.; Lezama, L.; Arriortua, M. I.; Rojo, T.","Spectroscopic and magnetic study of the (Mg,M)3(AsO4)2*8H2O (M = Ni2+, Co2+) arsenates Note: z(Wat2) corrected","Materials Research Bulletin","1996","31","","925","934","10.1016/S0025-5408(96)00088-8","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012105","9.4","","9.4","","11.179","","90","","90","","90","","987.776","","","","","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- H In O5 P Rb -","- H In O5 P Rb -","- H8 In8 O40 P8 Rb8 -","8","1","","Lii, K. H.","RbIn(OH)PO4: an indium(III) phosphate containing spirals of corner-sharing InO6 octahedra","Dalton Transactions","1996","1996","","815","818","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012214","17.677","","17.931","","7.426","","90","","116.47","","90","","2107.04","","","","100","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","Heulandite-Na","- Al4.3 Ca0.76 H54 Na2.84 O48.38 Si13.7 -","- Al4.3 Ca0.76 H41.4 Na2.84 O56.7 Si13.7 -","- Al8.6 Ca1.52 H82.8 Na5.68 O113.4 Si27.4 -","2","0.25","","Yang, P.; Armbruster, T.","Na, K, Rb and Cs exchange in heulandite single-crystals: X-ray structure refinements at 100 K Sample: T = 100 K Locality: Nasik, India","Journal of Solid State Chemistry","1996","123","","140","149","10.1006/jssc.1996.0162","","","","","","","","","","","","","","","","","","","","","has coordinates","283912","2023-05-21","08:41:26",""
"9012215","17.636","","17.934","","7.397","","90","","116","","90","","2102.78","","","","100","","","","","","","","Nasik, India","5","C 1 2/m 1","-C 2y","12","","","Heulandite-K","- Al4.3 H46 K4.2 O45.64 Si13.7 -","- Al4.3 H19.28 K4.2 O45.64 Si13.7 -","- Al8.6 H38.56 K8.4 O91.28 Si27.4 -","2","0.25","","Yang, P.; Armbruster, T.","Na, K, Rb and Cs exchange in heulandite single-crystals: X-ray structure refinements at 100 K Sample: T = 100 K","Journal of Solid State Chemistry","1996","123","","140","149","10.1006/jssc.1996.0162","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9012216","17.686","","18.007","","7.403","","90","","116.15","","90","","2116.33","","","","100","","","","","","","","Nasik, India","5","C 1 2/m 1","-C 2y","12","","","","- Al2.15 H12.92 O22.34 Rb2.11 Si6.85 -","- Al2.15 H8.68 O22.34 Rb2.11 Si6.85 -","- Al8.6 H34.72 O89.36 Rb8.44 Si27.4 -","4","0.5","","Yang, P.; Armbruster, T.","Na, K, Rb and Cs exchange in heulandite single-crystals: X-ray structure refinements at 100 K Sample: T = 100 K","Journal of Solid State Chemistry","1996","123","","140","149","10.1006/jssc.1996.0162","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9012217","17.76","","18.095","","7.428","","89.91","","115.93","","90.18","","2146.79","","","","100","","","","","","","","Nasik, India","6","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","","- Al4.34 Ca0.2 Cs4.16 H30 O42.35 Si13.66 -","- Al4.34 Ca0.2 Cs4.16 H12.7 O42.35 Si13.66 -","- Al8.68 Ca0.4 Cs8.32 H25.4 O84.7 Si27.32 -","2","","","Yang, P.; Armbruster, T.","Na, K, Rb and Cs exchange in heulandite single-crystals: X-ray structure refinements at 100 K Sample: T = 100 K","Journal of Solid State Chemistry","1996","123","","140","149","10.1006/jssc.1996.0162","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9012218","9.277","","9.339","","11.245","","90","","90","","90","","974.243","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- H In2 K2 O10 P2 -","- H In2 K2 O10 P2 -","- H4 In8 K8 O40 P8 -","4","1","","Hriljac, J. A.; Grey, C. P.; Cheetham, A. K.; VerNooy, P. D.; Torardi, C. C.","Synthesis and structure of KIn(OH)PO4: Chains of hydroxide-bridged InO4(OH)2 octahedra","Journal of Solid State Chemistry","1996","123","","243","248","10.1006/jssc.1996.0174","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9012219","11.544","","4.383","","3.574","","90","","90","","90","","180.835","","","","","","","","","","","","Synthetic","3","P m n 21","P 2ac -2","31","","","Shcherbinaite","- Mg0.01 O5 V2 -","- Mg0.01 O5 V2 -","- Mg0.02 O10 V4 -","2","0.5","","Shklover, V.; Haibach, T.; Ried, F.; Nesper, R.; Novak, P.","Crystal structure of the product of Mg2+ insertion into V2O5 single crystals Sample: I","Journal of Solid State Chemistry","1996","123","","317","323","10.1006/jssc.1996.0186","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012220","11.544","","4.383","","3.571","","90","","90","","90","","180.683","","","","","","","","","","","","Synthetic","2","P m n 21","P 2ac -2","31","","","Shcherbinaite","- O5 V2 -","- O5 V2 -","- O10 V4 -","2","0.5","","Shklover, V.; Haibach, T.; Ried, F.; Nesper, R.; Novak, P.","Crystal structure of the product of Mg2+ insertion into V2O5 single crystals Sample: IIa","Journal of Solid State Chemistry","1996","123","","317","323","10.1006/jssc.1996.0186","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012221","11.544","","3.571","","4.383","","90","","90","","90","","180.683","","","","","","","","","","","","Synthetic","2","P m m n :2","-P 2ab 2a","59","","","Shcherbinaite","- O5 V2 -","- O5 V2 -","- O10 V4 -","2","0.25","","Shklover, V.; Haibach, T.; Ried, F.; Nesper, R.; Novak, P.","Crystal structure of the product of Mg2+ insertion into V2O5 single crystals Sample: IIb","Journal of Solid State Chemistry","1996","123","","317","323","10.1006/jssc.1996.0186","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012371","19.94","","6.116","","5.52","","90","","104.18","","90","","652.67","","","","","","","","","","","","Cap Garonne mine, Var, France","5","C 1 2/m 1","-C 2y","12","","","Deloryite","- Cu4 H6 Mo2 O16 U -","- Cu4 H6 Mo2 O16 U -","- Cu8 H12 Mo4 O32 U2 -","2","0.25","","Pushcharovsky, D. Y.; Rastsvetaeva, R. K.; Sarp, H.","Crystal structure of deloryite, Cu4(UO2)[Mo2O8](OH)6","Journal of Alloys and Compounds","1996","239","","23","26","10.1016/0925-8388(96)02271-2","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012626","13.033","","18.717","","12.264","","90","","99.62","","90","","2949.59","","","","","","","","","","","","Aluaiv, Lovozero alkaline massif, Kola peninsula, Russia","10","I 1 2/m 1","-I 2y","12","","","Intersilite","- Ca0.02 Fe0.04 H13 K0.45 Mn0.94 Na5.8 Nb0.25 O32 Si10 Ti0.75 -","- Ca0.02 Fe0.04 H13 K0.45 Mn0.94 Na5.8 Nb0.25 O32 Si10 Ti0.75 -","- Ca0.08 Fe0.16 H52 K1.8 Mn3.76 Na23.2 Nb O128 Si40 Ti3 -","4","0.5","","Yamnova, N. A.; Egorov-Tismenko Y K; Khomyakov, A. P.","Crystal structure of a new natural (Na,Mn,Ti)-phyllosilicate","Crystallography Reports","1996","41","","239","244","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012627","5.283","","5.283","","15.15","","90","","90","","120","","366.188","","","","","","","","","","","","Synthetic","5","P -6 2 m","P -6 -2","189","","","Quintinite","- C0.5 H9 Al Mg2 O9 -","- C0.5 H9 Al Mg2 O9 -","- C H18 Al2 Mg4 O18 -","2","0.166667","","Arakcheeva, A. V.; Pushcharovsky, D. Y.; Rastsvetaeva, R. K.; Atencio, D.; Lubman, G. U.","Crystal structure and comparative crystal chemistry of Al2Mg4(OH)12(CO3)*3H2O, a new mineral from the hydrotalcite-manasseite group Note polytype 2H Locality: synthetic","Crystallography Reports","1996","41","","972","981","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012744","10.696","","10.696","","15.728","","90","","90","","120","","1558.29","","","","","","","","","","","","Lovozero massif, Kola Peninsula, Russia","9","R 3 2 :H","R 3 2""","155","","","Pyatenkoite-(Y)","- Dy0.3 Gd0.2 H12 Na5 Nb0.2 O24 Si6 Ti0.8 Y0.5 -","- Dy0.3 Gd0.2 H12 Na5 Nb0.2 O24 Si6 Ti0.8 Y0.5 -","- Dy0.9 Gd0.6 H36 Na15 Nb0.6 O72 Si18 Ti2.4 Y1.5 -","3","0.166667","","Rastsvetaeva, R. K.; Khomyakov, A. P.","Crystal structure of pyatenkoite-(Y) Na5YTiSi6O18*6H2O, a new mineral of the hilairite group: crystal structure","Doklady Chemistry","1996","351","","283","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9012745","14.39","","13.9","","7.825","","90","","117.6","","90","","1387.05","","","","","","","","","","","","Khibiny alkaline massif, Kola Peninsula, Russia","7","C 1 2/m 1","-C 2y","12","","","Lemmleinite-K","- H1.23 K0.875 Na0.43 Nb0.3 O7.89 Si2 Ti0.7 -","- H2.08 K0.875 Na0.43 Nb0.3 O7.89 Si2 Ti0.7 -","- H16.64 K7 Na3.44 Nb2.4 O63.12 Si16 Ti5.6 -","8","1","","Rastsvetaeva, R. K.; Arakcheeva, A. V.; Khomyakov, A. P.","Crystal structure and microtwinning of a new monoclinic analog of nenadkevichite","Doklady Chemistry","1996","351","","294","297","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9012870","15.4764","","47.602","","5.8489","","90","","90","","90","","4308.93","","","","","","","","","","","","Lengenbach quarry, Binntal, Valais, Switzerland","5","F d d 2","F 2 -2d","43","","","Edenharterite","- As2.93 Pb S6 Sb0.07 Tl -","- As2.93 Pb S6 Sb0.07 Tl -","- As46.88 Pb16 S96 Sb1.12 Tl16 -","16","1","","Berlepsch, P.","Crystal structure and crystal chemistry of the homeotypes edenharterite (TlPbAs3S6) and jentschite (TlPbAs2SbS6) from Lengenbach, Binntal (Switzerland) Locality: Lengenbach quarry, Binntal, Valais, Switzerland","Schweizerische Mineralogische und Petrographische Mitteilungen","1996","76","","147","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012871","8.0958","","23.917","","5.8876","","90","","108.063","","90","","1083.82","","","","","","","","","","","","Lengenbach quarry, Binntal, Valais, Switzerland","5","P 1 21/n 1","-P 2yn","14","","","Jentschite","- As2.45 Pb S6 Sb0.55 Tl -","- As2.45 Pb S6 Sb0.55 Tl -","- As9.8 Pb4 S24 Sb2.2 Tl4 -","4","1","","Berlepsch, P.","Crystal structure and crystal chemistry of the homeotypes edenharterite (TlPbAs3S6) and jentschite (TlPbAs2SbS6) from Lengenbach, Binntal (Switzerland) Locality: Lengenbach quarry, Binntal, Valais, Switzerland","Schweizerische Mineralogische und Petrographische Mitteilungen","1996","76","","147","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012951","12.49","","6.324","","10.069","","90","","90","","90","","795.318","","","","","","","","6300000","","","","","4","P n a 21","P 2c -2n","33","","","","- K O5 P Ti -","- K O5 P Ti -","- K8 O40 P8 Ti8 -","8","2","","Allan, D. R.; Nelmes, R. J.","The structural pressure dependence of potassium titanyl phosphate (KTP) to 8 GPa Sample: P = 6.3 GPa","Journal of Physics: Condensed Matter","1996","8","","2337","2363","10.1088/0953-8984/8/14/010","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9012952","12.387","","6.311","","9.966","","90","","90","","90","","779.086","","","","","","","","8200000","","","","","4","P n a 21","P 2c -2n","33","","","","- K O5 P Ti -","- K O5 P Ti -","- K8 O40 P8 Ti8 -","8","2","","Allan, D. R.; Nelmes, R. J.","The structural pressure dependence of potassium titanyl phosphate (KTP) to 8 GPa Sample: P = 8.2 GPa","Journal of Physics: Condensed Matter","1996","8","","2337","2363","10.1088/0953-8984/8/14/010","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9013956","9.51","","9.51","","7.01","","90","","90","","120","","549.047","","","","","","","","","","","","","11","P -3","-P 3","147","","","Deloneite","- Ca3.548 Ce1.299 F1.41 H0.63 La0.6 Na1.999 Nd0.25 O24.63 P5.799 Si0.201 Sr2.301 -","- Ca3.548 Ce1.299 F1.41 H0.63 La0.6 Na1.999 Nd0.25 O24.63 P5.799 Si0.201 Sr2.301 -","- Ca7.096 Ce2.598 F2.82 H1.26 La1.2 Na3.998 Nd0.5 O49.26 P11.598 Si0.402 Sr4.602 -","2","0.333333","","Rastsvetaeva, R. F.; Khomyakov, A. P.","Crystal structure of deloneite-(Ce), high ordered Ca analogue of belovite","Doklady Akademii Nauk SSSR","1996","349","","354","357","","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9013973","11.777","","13.891","","6.46","","90","","90","","90","","1056.82","","","","","","","","","","","","Clear Creek claim, San Benito County, California","3","P b m a","-P 2a 2ab","57","","","Hanawaltite","- Cl2 Hg7 O3 -","- Cl8 Hg28 O12 -","- Cl8 Hg28 O12 -","","","","Roberts, A. C.; Grice, J. D.; Gault, R. A.; Criddle, A. J.; Erd, R. C.","Hanawaltite, Hg1+6Hg2+[Cl,(OH)]2O3 - A new mineral from the Clear Creek claim, San Benito County, California: Description and crystal structure","Powder Diffraction","1996","11","","45","50","10.1017/S0885715600008915","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:32:12",""
"9013981","9.485","","9.485","","7","","90","","90","","120","","545.385","","","","","","","","","","","","Khibini alkaline massif, Kola Peninsula, Russia","8","P 63","P 6c","173","","","Deloneite","- Ca3.3 Ce0.3 F0.667 H0.333 Na0.3 O12.333 P3 Sr1.1 -","- Ca3.3 Ce0.3 F0.66667 H0.33333 Na0.3 O12.3333 P3 Sr1.1 -","- Ca6.6 Ce0.6 F1.33334 H0.66666 Na0.6 O24.6667 P6 Sr2.2 -","2","0.333333","","Rastsvetaeva, R. K.; Khomyakov, A. P.","Structural features of a new naturally occurring representative of the fluorapatite-deloneite series","Crystallography Reports","1996","41","","789","792","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:46",""
"9014052","8.45","","10.729","","8.474","","90","","111.365","","90","","715.458","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","","- Ba2 Co O7 Si2 -","- Ba8 Co4 O28 Si8 -","- Ba8 Co4 O28 Si8 -","","","","Adams, R. D.; Layland, R.; Payen, C.; Datta, T.","Synthesis, structural analyses, and unusual magnetic properties of Ba2CoSi2O7 and BaCo2Si2O7 Note: Compound 1","Inorganic Chemistry","1996","35","","3492","3497","10.1021/ic960167m","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014439","7.2666","","7.2666","","7.1063","","90","","90","","120","","324.965","","","","","","","","","","","","Synthetic","4","P 31","P 31","144","","","","- As B Ba O5 -","- As3 B3 Ba3 O15 -","- As3 B3 Ba3 O15 -","","","","Park, C. H.; Bluhm, K.","Zur Synthese und Kristallstruktur von Bariumboroarsenat Ba(BAsO5) mit einem Beitrag uber Bariumorthoarsenat Ba3(AsO4)2","Zeitschrift fur Naturforschung B","1996","51","","722","726","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014905","10.267","","10.267","","3.9844","","90","","90","","120","","363.731","","","","","","","","","","","","","3","P -6","P -6","174","","","Laurelite","- Cl F6 Pb3.5 -","- Cl2 F12 Pb7 -","- Cl2 F12 Pb7 -","","","","Merlino, S.; Pasero, M.; Perchiazzi, N.; Kampf, A. R.","Laurelite: Its crystal structure and relationship to alpha-PbF2","American Mineralogist","1996","81","","1277","1281","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014934","4.6732","","3.477","","5.119","","90","","98.5625","","90","","82.25","","","","","","","","","","","","Synthetic","2","C 1 2/c 1","-C 2yc","15","","","Tenorite","- Cu O -","- Cu4 O4 -","- Cu4 O4 -","","","","Calos, N. J.; Forrester, J. S.; Schaffer, G. B.","A crystallographic contribution to the mechanism of a mechanically induced solid state reaction Note: milling time = 34 min","Journal of Solid State Chemistry","1996","122","","273","280","10.1006/jssc.1996.0113","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015008","6.827","","6.827","","6.779","","90","","90","","120","","273.625","","","","","","","","","","","","Synthetic","4","P 31 2 1","P 31 2""","152","","","Stillwellite-(La)","- B4 La4 O15 Si3 -","- B3 La3 O15 Si3 -","- B3 La3 O15 Si3 -","","","","Belokoneva, E. L.; Shuvaeva, V. A.; Antipin M Yu; Leonyuk, N. I.","Crystal structure of a high-temperature modification of LaBSiO5, a synthetic analog of stillwellite Note: T = 473 K","Zhurnal Neorganicheskoi Khimii","1996","41","","1097","1101","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015042","8.33","","8.33","","10.54","","90","","90","","120","","633.375","","","","","","","","","","","","","4","P -3","-P 3","147","","","Namuwite","- H14 O14 S Zn4 -","- O14 S Zn4 -","- O28 S2 Zn8 -","2","0.333333","","Groat, L. A.","The crystal structure of namuwite, a mineral with Zn in tetrahedral and octahedral coordination, and its relationship to the synthetic basic zinc sulfates Note: U(1,2) for S has been changed to match symmetry constraints.","American Mineralogist","1996","81","","238","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015199","10.267","","10.267","","3.9844","","90","","90","","120","","363.731","","","","","","","","","","","","","3","P -6","P -6","174","","","Laurelite","- Cl2 F12 Pb7 -","- Cl2 F12 Pb7 -","- Cl2 F12 Pb7 -","","","","Merlino, S.; Pasero, M.; Perchiazzi, N.; Kampf, A. R.","Laurelite: Its crystal structure and relationship to alpha-PbF2 Note: Re-examination of the crystal by H Yang and A Kampf showed that it was twinned, and the partially occupied sites were relicts.","American Mineralogist","1996","81","","1277","1281","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015255","3.9542","","27.142","","5.692","","90","","90","","90","","610.893","","","","","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","","- Eu2 O7 Ta2 -","- Eu8 O28 Ta8 -","- Eu8 O28 Ta8 -","","","","Jacobsen, H.; Lissner, F.; Manek, E.; Meyer, G.","Crystal structures of dieuropium(II) ditantalum heptoxide, Eu2Ta2O7 and europium(II) ditantalum hexoxide, EuTa2O6","Zeitschrift fur Kristallographie","1996","211","","547","548","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015396","11.8288","","11.8288","","11.8288","","90","","90","","90","","1655.09","","","","","","","","","","","","Calculated structure","4","I a -3 d","-I 4bd 2c 3","230","","","Calderite","- Fe2 Mn3 O12 Si3 -","- Fe16 Mn24 O96 Si24 -","- Fe16 Mn24 O96 Si24 -","","","","Ottonello, G.; Borketa, M.; Sciuto, P. F.","Parameterization of energy and interactions in garnets: End-member properties","American Mineralogist","1996","81","","429","447","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015552","7.2131","","12.781","","13.762","","90","","90.299","","90","","1268.71","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","","- Ba Co2 O7 Si2 -","- Ba8 Co16 O56 Si16 -","- Ba8 Co16 O56 Si16 -","","","","Adams, R. D.; Layland, R.; Payen, C.; Datta, T.","Synthesis, structural analyses, and unusual magnetic properties of Ba2CoSi2O7 and BaCo2Si2O7 Note: Compound 2","Inorganic Chemistry","1996","35","","3492","3497","10.1021/ic960167m","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015568","4.6797","","3.4768","","5.1193","","90","","98.644","","90","","82.347","","","","","","","","","","","","Synthetic","2","C 1 2/c 1","-C 2yc","15","","","Tenorite","- Cu O -","- Cu4 O4 -","- Cu4 O4 -","","","","Calos, N. J.; Forrester, J. S.; Schaffer, G. B.","A crystallographic contribution to the mechanism of a mechanically induced solid state reaction Note: milling time = 30 min","Journal of Solid State Chemistry","1996","122","","273","280","10.1006/jssc.1996.0113","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015714","4.6791","","3.4805","","5.1183","","90","","98.5981","","90","","82.418","","","","","","","","","","","","Synthetic","2","C 1 2/c 1","-C 2yc","15","","","Tenorite","- Cu O -","- Cu4 O4 -","- Cu4 O4 -","","","","Calos, N. J.; Forrester, J. S.; Schaffer, G. B.","A crystallographic contribution to the mechanism of a mechanically induced solid state reaction Note: milling time = 36 min","Journal of Solid State Chemistry","1996","122","","273","280","10.1006/jssc.1996.0113","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015777","5.1175","","5.1175","","14.7716","","90","","90","","120","","335.022","","","","","","","","","","","","Synthetic","4","P 63/m c m","-P 6c 2","193","","","Dmisteinbergite","- Al2 Ca O8 Si2 -","- Al4 Ca2 O16 Si4 -","- Al4 Ca2 O16 Si4 -","","","","Dimitrijevic, R.; Dondur, V.; Kremenovic, A.","Thermally induced phase transformations of Ca-exchanged LTA and FAU zeolite frameworks: Rietveld refinement of the hexagonal CaAl2Si2O8 diphyllosilicate structure","Zeolites","1996","16","","294","300","10.1016/0144-2449(95)00154-9","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015822","4.6776","","3.4593","","5.1264","","90","","98.9645","","90","","81.938","","","","","","","","","","","","Synthetic","2","C 1 2/c 1","-C 2yc","15","","","Tenorite","- Cu O -","- Cu4 O4 -","- Cu4 O4 -","","","","Calos, N. J.; Forrester, J. S.; Schaffer, G. B.","A crystallographic contribution to the mechanism of a mechanically induced solid state reaction Note: milling time = 10 min","Journal of Solid State Chemistry","1996","122","","273","280","10.1006/jssc.1996.0113","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015841","4.6844","","3.4792","","5.1215","","90","","98.6836","","90","","82.513","","","","","","","","","","","","Synthetic","2","C 1 2/c 1","-C 2yc","15","","","Tenorite","- Cu O -","- Cu4 O4 -","- Cu4 O4 -","","","","Calos, N. J.; Forrester, J. S.; Schaffer, G. B.","A crystallographic contribution to the mechanism of a mechanically induced solid state reaction Note: milling time = 32 min","Journal of Solid State Chemistry","1996","122","","273","280","10.1006/jssc.1996.0113","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015887","4.6839","","3.4734","","5.1226","","90","","98.73","","90","","82.374","","","","","","","","","","","","Synthetic","2","C 1 2/c 1","-C 2yc","15","","","Tenorite","- Cu O -","- Cu4 O4 -","- Cu4 O4 -","","","","Calos, N. J.; Forrester, J. S.; Schaffer, G. B.","A crystallographic contribution to the mechanism of a mechanically induced solid state reaction Note: milling time = 25 min","Journal of Solid State Chemistry","1996","122","","273","280","10.1006/jssc.1996.0113","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015924","4.6832","","3.4288","","5.1297","","90","","99.3086","","90","","81.287","","","","","","","","","","","","Synthetic","2","C 1 2/c 1","-C 2yc","15","","","Tenorite","- Cu O -","- Cu4 O4 -","- Cu4 O4 -","","","","Calos, N. J.; Forrester, J. S.; Schaffer, G. B.","A crystallographic contribution to the mechanism of a mechanically induced solid state reaction Note: milling time = 0 min","Journal of Solid State Chemistry","1996","122","","273","280","10.1006/jssc.1996.0113","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015926","11.02","","7.64","","5.61","","90","","90","","90","","472.322","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","Tantalaeschynite-(Eu)","- Eu O6 Ta2 -","- Eu4 O24 Ta8 -","- Eu4 O24 Ta8 -","","","","Jacobsen, H.; Lissner, F.; Manek, E.; Meyer, G.","Crystal structures of dieuropium(II) ditantalum heptoxide, Eu2Ta2O7 and europium(II) ditantalum hexoxide, EuTa2O6","Zeitschrift fur Kristallographie","1996","211","","547","548","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015950","5.456","","5.456","","12.02","","90","","90","","90","","357.811","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","Stolzite","- O4 Pb W -","- O16 Pb4 W4 -","- O16 Pb4 W4 -","","","","Moreau, J. M.; Galez, P.; Peigneux, J. P.; Korzhik, M. V.","Structural characterization of PbWO4 and related new phase Pb7W8O(32-x) Note: scheelite structure","Journal of Alloys and Compounds","1996","238","","46","48","10.1016/0925-8388(95)02175-2","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016035","7.719","","7.719","","12.018","","90","","90","","90","","716.068","","","","","","","","","","","","","3","P 4/n n c :2","-P 4a 2bc","126","","","","- O3.6 Pb0.875 W -","- O28.8 Pb7 W8 -","- O28.8 Pb7 W8 -","","","","Moreau, J. M.; Galez, P.; Peigneux, J. P.; Korzhik, M. V.","Structural characterization of PbWO4 and related new phase Pb7W8O(32-x)","Journal of Alloys and Compounds","1996","238","","46","48","10.1016/0925-8388(95)02175-2","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016162","6.433","","8.093","","15.764","","86.65","","84.35","","84.47","","811.928","","","","","","","","","","","","Salsigne mine, Carrassonne, Aude, France","4","P -1","-P 1","2","","","Geminite","- As Cu H3 O5 -","- As Cu H3 O5 -","- As8 Cu8 H24 O40 -","8","4","","Prencipe, M.; Pushcharovsky, D. Y.; Sarp, H.; Ferraris, G.","Comparative crystal chemistry of geminite Cu[AsO3OH]H2O and related minerals","Moscow University Geology Bulletin","1996","51","","51","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016573","14.773","","15.758","","19.91409","","90","","90","","90","","4635.86","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Ca2 K O23 P5 -","- Ca16 K8 O184 P40 -","- Ca16 K8 O184 P40 -","","","","Averbuch-Pouchot M; Durif, A.; Schuelke, U.","The calcium-potassium cyclodecaphosphate hexadecahydrate: Ca4K2P10O30*16(H2O) _cod_database_code 1007233","European Journal of Solid State and Inorganic Chemistry","1996","33","","1091","1100","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016707","5.7672","","5.7672","","21.163","","90","","90","","120","","609.59","","","","","","","","","","","","Synthetic","3","R -3 m :H","-R 3 2""","166","","","","- As2 Ba3 O8 -","- As6 Ba9 O24 -","- As6 Ba9 O24 -","","","","Park, C. H.; Bluhm, K.","Zur Synthese und Kristallstruktur von Bariumboroarsenat Ba(BAsO5) mit einem Beitrag uber Bariumorthoarsenat Ba3(AsO4)2","Zeitschrift fur Naturforschung B","1996","51","","722","726","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9017514","17.677","","17.931","","7.426","","90","","116.47","","90","","2107.04","","","","100","","","","","","","","Nasik, India","6","C 1 2/m 1","-C 2y","12","","","Heulandite-Na","- Al4.3 Ca0.76 H21.4 Na2.84 O46.7 Si13.7 -","- Al4.3 Ca0.76 H21.4 Na2.84 O46.7 Si13.7 -","- Al8.6 Ca1.52 H42.8 Na5.68 O93.4 Si27.4 -","2","0.25","","Yang, P.; Armbruster, T.","Na, K, Rb and Cs exchange in heulandite single-crystals: X-ray structure refinements at 100 K Sample: T = 100 K","Journal of Solid State Chemistry","1996","123","","140","149","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017777","8.574","","13.006","","7.191","","90","","116.07","","90","","720.307","","","","121","","","","","","","","Itrongay, Madagascar","4","C 1 2/m 1","-C 2y","12","","","Orthoclase","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al4 K4 O32 Si12 -","4","0.5","","Kimata, M.; Saito, S.; Shimizu, M.; Iida, I.; Matsui, T.","Low-temperature structures of orthoclase and sanidine Note: T = 121 K","Neues Jahrbuch fur Mineralogie, Abhandlungen","1996","171","","199","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:49",""
"9017778","8.6","","13.005","","7.193","","90","","116.03","","90","","722.883","","","","296","","","","","","","","Itrongay, Madagascar","4","C 1 2/m 1","-C 2y","12","","","Orthoclase","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al4 K4 O32 Si12 -","4","0.5","","Kimata, M.; Saito, S.; Shimizu, M.; Iida, I.; Matsui, T.","Low-temperature structures of orthoclase and sanidine Note: T = 296 K","Neues Jahrbuch fur Mineralogie, Abhandlungen","1996","171","","199","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:49",""
"9017779","8.514","","13.018","","7.183","","90","","116.03","","90","","715.374","","","","121","","","","","","","","Volkesfeld, Eifel, Germany","4","C 1 2/m 1","-C 2y","12","","","Sanidine","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al4 K4 O32 Si12 -","4","0.5","","Kimata, M.; Saito, S.; Shimizu, M.; Iida, I.; Matsui, T.","Low-temperature structures of orthoclase and sanidine Note: T = 121 K","Neues Jahrbuch fur Mineralogie, Abhandlungen","1996","171","","199","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:49",""
"9017780","8.534","","13.01","","7.176","","90","","115.99","","90","","716.159","","","","296","","","","","","","","Volkesfeld, Eifel, Germany","4","C 1 2/m 1","-C 2y","12","","","Sanidine","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al4 K4 O32 Si12 -","4","0.5","","Kimata, M.; Saito, S.; Shimizu, M.; Iida, I.; Matsui, T.","Low-temperature structures of orthoclase and sanidine Note: T = 296 K","Neues Jahrbuch fur Mineralogie, Abhandlungen","1996","171","","199","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:49",""