# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T13:14:05+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Acta Crystallographica Section B') AND volume = 53 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
"1000058","4.4968","0.0002","4.4968","0.0002","3.1049","0.0001","90","","90","","90","","62.8","","","","","","","","","","","","Synthetic","2","P 42/m n m","","136","","Ruthenium(IV) oxide","","- O2 Ru -","- O2 Ru -","- O4 Ru2 -","2","0.125","","Bolzan A A; Fong C; Kennedy B J; Howard C J","Structural studies of rutile-type metal dioxides","Acta Crystallographica, Section B","1997","53","","373","380","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:20",""
"1100099","7.454","0.001","7.454","0.001","12.885","0.002","90","","90","","90","","715.9","","","","","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","Trimagnesium bis(sulfate(VI)) dihydroxide","","- H2 Mg3 O10 S2 -","- H3 Mg3 O10 S2 -","- H12 Mg12 O40 S8 -","4","0.5","","Fleet, M. E.; Knipe, S. W.","Structure of magnesium hydroxide sulfate (2(Mg S O4) . (Mg (O H)2)) and solid solution in magnesium hydroxide sulfate hydrate and caminite","Acta Crystallographica B (39,1983-)","1997","53","3","358","363","10.1107/S0108768197000104","","","","","","","","","","","","","","","","","","","","","has coordinates","188424","2020-10-21","18:00:00",""
"2101653","10.951","0.004","13.396","0.008","7.072","0.004","90","","108.88","0.03","90","","981.6","0.9","100","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 Br D16 N O2 -","- C7 Br D16 N O2 -","- C28 Br4 D64 N4 O8 -","4","1","AN0532","Shankland, N.; Florence, A. J.; Wilson, C. C.","Single-Crystal Neutron Diffraction Analysis of Anion–Cation Interactions in Perdeuteroacetylcholine Bromide at 100 K","Acta Crystallographica Section B","1997","53","1","176","180","10.1107/S0108768196010324","","neutron","","neutron","","","0.072","","","0.055","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101654","5.884","0.001","11.787","0.003","8.231","0.002","90","","90","","90","","570.9","0.2","100","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- O3 Pb Zr -","- O3 Pb Zr -","- O24 Pb8 Zr8 -","8","1","BM0006","Corker, D. L.; Glazer, A. M.; Dec, J.; Roleder, K.; Whatmore, R. W.","A Re-investigation of the Crystal Structure of the Perovskite PbZrO~3~ by X-ray and Neutron Diffraction","Acta Crystallographica Section B","1997","53","1","135","142","10.1107/S0108768196012414","","","0.71069","MoKα","","","0.0326","","","0.0607","","","","","0.996","0.996","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101655","5.8878","0.0002","11.789","0.0004","8.2527","0.0002","90","","90","","90","","572.83","0.03","398","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- O3 Pb Zr -","- O3 Pb Zr -","- O24 Pb8 Zr8 -","8","1","BM0006","Corker, D. L.; Glazer, A. M.; Dec, J.; Roleder, K.; Whatmore, R. W.","A Re-investigation of the Crystal Structure of the Perovskite PbZrO~3~ by X-ray and Neutron Diffraction","Acta Crystallographica Section B","1997","53","1","135","142","10.1107/S0108768196012414","","neutron","1.90788","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101656","5.99986","0.00016","5.99986","0.00016","12.3976","0.0004","90","","90","","90","","446.29","0.02","20","","295","2","","","","","","","","4","I 41/a :2","-I 4ad","88","ammonium perrhenate","ammonium rhenium(VII) oxide","","- D4 N O4 Re -","- D4 N O4 Re -","- D16 N4 O16 Re4 -","4","0.25","BR0049","I.P.Swainson; R.J.C.Brown","Refinement of Ammonium Perrhenate Structure Using a Pseudo-Spin Model for the Ammonium Ion Orientation","Acta Crystallographica Section B","1997","53","1","76","81","10.1107/S0108768196011160","","neutron","1.49978","neutron","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101657","6.00092","0.00016","6.00092","0.00016","12.3989","0.0004","90","","90","","90","","446.5","0.02","40","","295","2","","","","","","","","4","I 41/a :2","-I 4ad","88","ammonium perrhenate","ammonium rhenium(VII) oxide","","- D4 N O4 Re -","- D4 N O4 Re -","- D16 N4 O16 Re4 -","4","0.25","BR0049","I.P.Swainson; R.J.C.Brown","Refinement of Ammonium Perrhenate Structure Using a Pseudo-Spin Model for the Ammonium Ion Orientation","Acta Crystallographica Section B","1997","53","1","76","81","10.1107/S0108768196011160","","neutron","1.49978","neutron","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101658","6.00193","0.00017","6.00193","0.00017","12.4027","0.0004","90","","90","","90","","446.78","0.02","60","","295","2","","","","","","","","4","I 41/a :2","-I 4ad","88","ammonium perrhenate","ammonium rhenium(VII) oxide","","- D4 N O4 Re -","- D4 N O4 Re -","- D16 N4 O16 Re4 -","4","0.25","BR0049","I.P.Swainson; R.J.C.Brown","Refinement of Ammonium Perrhenate Structure Using a Pseudo-Spin Model for the Ammonium Ion Orientation","Acta Crystallographica Section B","1997","53","1","76","81","10.1107/S0108768196011160","","neutron","1.49978","neutron","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101659","6.00313","0.00017","6.00313","0.00017","12.4118","0.0004","90","","90","","90","","447.29","0.02","80","","295","2","","","","","","","","4","I 41/a :2","-I 4ad","88","ammonium perrhenate","ammonium rhenium(VII) oxide","","- D4 N O4 Re -","- D4 N O4 Re -","- D16 N4 O16 Re4 -","4","0.25","BR0049","I.P.Swainson; R.J.C.Brown","Refinement of Ammonium Perrhenate Structure Using a Pseudo-Spin Model for the Ammonium Ion Orientation","Acta Crystallographica Section B","1997","53","1","76","81","10.1107/S0108768196011160","","neutron","1.49978","neutron","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101660","6.00301","0.00018","6.00301","0.00018","12.4258","0.0004","90","","90","","90","","447.78","0.02","100","","295","2","","","","","","","","4","I 41/a :2","-I 4ad","88","ammonium perrhenate","ammonium rhenium(VII) oxide","","- D4 N O4 Re -","- D4 N O4 Re -","- D16 N4 O16 Re4 -","4","0.25","BR0049","I.P.Swainson; R.J.C.Brown","Refinement of Ammonium Perrhenate Structure Using a Pseudo-Spin Model for the Ammonium Ion Orientation","Acta Crystallographica Section B","1997","53","1","76","81","10.1107/S0108768196011160","","neutron","1.49978","neutron","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101661","6.00091","0.00019","6.00091","0.00019","12.4466","0.0005","90","","90","","90","","448.21","0.03","120","","295","2","","","","","","","","4","I 41/a :2","-I 4ad","88","ammonium perrhenate","ammonium rhenium(VII) oxide","","- D4 N O4 Re -","- D4 N O4 Re -","- D16 N4 O16 Re4 -","4","0.25","BR0049","I.P.Swainson; R.J.C.Brown","Refinement of Ammonium Perrhenate Structure Using a Pseudo-Spin Model for the Ammonium Ion Orientation","Acta Crystallographica Section B","1997","53","1","76","81","10.1107/S0108768196011160","","neutron","1.49978","neutron","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101662","5.9956","0.0002","5.9956","0.0002","12.4783","0.0005","90","","90","","90","","448.56","0.03","140","","295","2","","","","","","","","4","I 41/a :2","-I 4ad","88","ammonium perrhenate","ammonium rhenium(VII) oxide","","- D4 N O4 Re -","- D4 N O4 Re -","- D16 N4 O16 Re4 -","4","0.25","BR0049","I.P.Swainson; R.J.C.Brown","Refinement of Ammonium Perrhenate Structure Using a Pseudo-Spin Model for the Ammonium Ion Orientation","Acta Crystallographica Section B","1997","53","1","76","81","10.1107/S0108768196011160","","neutron","1.49978","neutron","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101663","5.98872","0.00014","5.98872","0.00014","12.466","0.0003","90","","90","","90","","447.09","0.018","140","","295","2","","","","","","","","4","I 41/a :2","-I 4ad","88","ammonium perrhenate","ammonium rhenium(VII) oxide","","- D4 N O4 Re -","- D4 N O4 Re -","- D16 N4 O16 Re4 -","4","0.25","BR0049","I.P.Swainson; R.J.C.Brown","Refinement of Ammonium Perrhenate Structure Using a Pseudo-Spin Model for the Ammonium Ion Orientation","Acta Crystallographica Section B","1997","53","1","76","81","10.1107/S0108768196011160","","neutron","1.49935","neutron","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101664","5.97765","0.00014","5.97765","0.00014","12.516","0.0003","90","","90","","90","","447.225","0.018","160","","295","2","","","","","","","","4","I 41/a :2","-I 4ad","88","ammonium perrhenate","ammonium rhenium(VII) oxide","","- D4 N O4 Re -","- D4 N O4 Re -","- D16 N4 O16 Re4 -","4","0.25","BR0049","I.P.Swainson; R.J.C.Brown","Refinement of Ammonium Perrhenate Structure Using a Pseudo-Spin Model for the Ammonium Ion Orientation","Acta Crystallographica Section B","1997","53","1","76","81","10.1107/S0108768196011160","","neutron","1.49935","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101665","5.95898","0.00015","5.95898","0.00015","12.5916","0.0004","90","","90","","90","","447.12","0.02","180","","295","2","","","","","","","","4","I 41/a :2","-I 4ad","88","ammonium perrhenate","ammonium rhenium(VII) oxide","","- D4 N O4 Re -","- D4 N O4 Re -","- D16 N4 O16 Re4 -","4","0.25","BR0049","I.P.Swainson; R.J.C.Brown","Refinement of Ammonium Perrhenate Structure Using a Pseudo-Spin Model for the Ammonium Ion Orientation","Acta Crystallographica Section B","1997","53","1","76","81","10.1107/S0108768196011160","","neutron","1.49935","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101666","5.9324","0.00016","5.9324","0.00016","12.6897","0.0004","90","","90","","90","","446.59","0.02","200","","295","2","","","","","","","","4","I 41/a :2","-I 4ad","88","ammonium perrhenate","ammonium rhenium(VII) oxide","","- D4 N O4 Re -","- D4 N O4 Re -","- D16 N4 O16 Re4 -","4","0.25","BR0049","I.P.Swainson; R.J.C.Brown","Refinement of Ammonium Perrhenate Structure Using a Pseudo-Spin Model for the Ammonium Ion Orientation","Acta Crystallographica Section B","1997","53","1","76","81","10.1107/S0108768196011160","","neutron","1.49935","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101667","5.91124","0.00018","5.91124","0.00018","12.7765","0.0005","90","","90","","90","","446.45","0.03","220","","295","2","","","","","","","","4","I 41/a :2","-I 4ad","88","ammonium perrhenate","ammonium rhenium(VII) oxide","","- D4 N O4 Re -","- D4 N O4 Re -","- D16 N4 O16 Re4 -","4","0.25","BR0049","I.P.Swainson; R.J.C.Brown","Refinement of Ammonium Perrhenate Structure Using a Pseudo-Spin Model for the Ammonium Ion Orientation","Acta Crystallographica Section B","1997","53","1","76","81","10.1107/S0108768196011160","","neutron","1.49935","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101668","5.89725","0.00019","5.89725","0.00019","12.8464","0.0005","90","","90","","90","","446.77","0.03","240","","295","2","","","","","","","","4","I 41/a :2","-I 4ad","88","ammonium perrhenate","ammonium rhenium(VII) oxide","","- D4 N O4 Re -","- D4 N O4 Re -","- D16 N4 O16 Re4 -","4","0.25","BR0049","I.P.Swainson; R.J.C.Brown","Refinement of Ammonium Perrhenate Structure Using a Pseudo-Spin Model for the Ammonium Ion Orientation","Acta Crystallographica Section B","1997","53","1","76","81","10.1107/S0108768196011160","","neutron","1.49935","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101669","5.8805","0.0002","5.8805","0.0002","12.9874","0.0006","90","","90","","90","","449.11","0.03","298","","295","2","","","","","","","","4","I 41/a :2","-I 4ad","88","ammonium perrhenate","ammonium rhenium(VII) oxide","","- D4 N O4 Re -","- D4 N O4 Re -","- D16 N4 O16 Re4 -","4","0.25","BR0049","I.P.Swainson; R.J.C.Brown","Refinement of Ammonium Perrhenate Structure Using a Pseudo-Spin Model for the Ammonium Ion Orientation","Acta Crystallographica Section B","1997","53","1","76","81","10.1107/S0108768196011160","","neutron","1.49935","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101670","6.282","0.001","13.252","0.001","13.112","0.001","90","","98.08","0.09","90","","1080.7","0.3","100","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C12 H28 F12 N2 P2 -","- C12 H28 F12 N2 P2 -","- C24 H56 F24 N4 P4 -","2","0.5","CF0001","McCormack, Kirsty L.; Mallinson, Paul R.; Webster, Brian C.; Yufit, Dmitrii S.","Experimental and Theoretical Studies of Charge Density Distribution in <i>E</i>-Tetraethyl-1,4-diammoniumbut-2-ene.2PF~6~","Acta Crystallographica Section B","1997","53","1","181","187","10.1107/S0108768196011172","","","0.71069","MoKα","","","0.021","","","0.022","","","","","1.003","1.003","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101671","7.7992","0.0006","7.905","0.0006","5.5591","0.0005","90","","90","","90","","342.73","0.05","295","2","","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","CR0515","Pilati, T.; Demartin, F.; Gramaccioli, C. M.","Transferability of Empirical Force Fields in Silicates: Lattice-Dynamical Evaluation of Atomic Displacement Parameters and Thermodynamic Properties for the Al~2~OSiO~4~ Polymorphs","Acta Crystallographica Section B","1997","53","1","82","94","10.1107/S0108768196011482","","","0.71073","MoKα","","","0.014","","","0.018","","","","","0.938","0.938","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101672","8.5222","0.0011","6.8359","0.001","24.142","0.004","90","","90","","90","","1406.4","0.4","293","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag2 P2 S11 Ti2 -","- Ag2 P2 S11 Ti2 -","- Ag8 P8 S44 Ti8 -","4","0.5","DU0410","Gaudin, E.; Fischer, L.; Boucher, F.; Evain, M.; Petricek, V.","Ag~2~Ti~2~P~2~S~11~: A New Layered Thiophosphate. Synthesis, Structure Determination and Temperature Dependence of the Silver Distribution","Acta Crystallographica Section B","1997","53","1","67","75","10.1107/S010876819601097X","","","0.71073","MoKα","","","0.0378","","","0.0385","","","","","1.28","1.28","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101673","7.385","0.002","30.831","0.007","7.1168","0.0013","90","","90","","90","","1620.4","0.6","","","","","","","","","","","","5","C m m 2","C 2 -2","35","","","","- H4 Na3 Nd O17 Si6 -","- H4 Na3.005 Nd O17 Si6 -","- H16 Na12.02 Nd4 O68 Si24 -","4","0.5","DU0411","Haile, S. M.; Wuensch, B. J.; Laudise, R. A.; Maier, J.","Structure of Na~3~NdSi~6~O~15~.2H~2~O ‒ a Layered Silicate with Paths for Possible Fast-Ion Conduction","Acta Crystallographica Section B","1997","53","1","7","17","10.1107/S0108768196009950","","","0.71073","MoKα","","","0.0267","","","0.0817","","","","","","","","","","","has coordinates","191104","2020-10-21","18:00:00",""
"2101674","4.69263","0.00005","5.72129","0.00007","4.92805","0.00005","90","","90.6321","0.0009","90","","132.3","0.003","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- O4 W Zn -","- O4 W Zn -","- O8 W2 Zn2 -","2","0.5","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101675","4.69114","0.00006","5.72608","0.00007","4.92536","0.00006","90","","90.7507","0.0009","90","","132.293","0.003","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Cu0.1 O4 W Zn0.9 -","- O4 W Zn -","- O8 W2 Zn2 -","2","0.5","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101676","4.68766","0.00008","5.72752","0.0001","4.92052","0.00008","90","","90.8566","0.0013","90","","132.095","0.004","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Cu0.15 O4 W Zn0.85 -","- O4 W Zn -","- O8 W2 Zn2 -","2","0.5","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101677","4.68502","0.00005","5.73194","0.00007","4.9156","0.00005","90","","91.0026","0.0009","90","","131.985","0.003","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Cu0.2 O4 W Zn0.8 -","- O4 W Zn -","- O8 W2 Zn2 -","2","0.5","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101678","4.68499","0.00011","5.73796","0.00016","4.91163","0.00012","89.766","0.002","91.135","0.002","91.467","0.002","131.966","0.006","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cu0.25 O4 W Zn0.75 -","- O4 W Zn -","- O8 W2 Zn2 -","2","1","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101679","4.68411","0.0001","5.74374","0.00013","4.90925","0.0001","89.6303","0.0019","91.1899","0.0018","92.073","0.0018","131.963","0.005","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cu0.3 O4 W Zn0.7 -","- O4 W Zn -","- O8 W2 Zn2 -","2","1","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101680","4.6901","0.0001","5.76474","0.00013","4.90647","0.00008","89.3597","0.0014","91.3394","0.0013","93.2364","0.0013","132.403","0.005","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cu0.35 O4 W Zn0.65 -","- O4 W Zn -","- O8 W2 Zn2 -","2","1","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101681","4.69097","0.00009","5.7751","0.00009","4.90169","0.00007","89.2071","0.0013","91.487","0.0012","93.9239","0.0013","132.425","0.004","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cu0.4 O4 W Zn0.6 -","- O4 W Zn -","- O8 W2 Zn2 -","2","1","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101682","4.69174","0.00012","5.77857","0.00013","4.90054","0.00009","89.1685","0.0017","91.519","0.0016","94.1","0.0016","132.464","0.005","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cu0.45 O4 W Zn0.55 -","- O4 W Zn -","- O8 W2 Zn2 -","2","1","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101683","4.69651","0.00018","5.80159","0.00018","4.89491","0.00011","88.913","0.002","91.8172","0.0019","95.215","0.002","132.736","0.007","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cu0.55 O4 W Zn0.45 -","- O4 W Zn -","- O8 W2 Zn2 -","2","1","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101684","4.6947","0.0003","5.8028","0.0003","4.89158","0.00016","88.871","0.003","91.828","0.003","95.367","0.003","132.588","0.012","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cu0.6 O4 W Zn0.4 -","- O4 W Zn -","- O8 W2 Zn2 -","2","1","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101685","4.70189","0.00011","5.81866","0.00018","4.89057","0.00011","88.706","0.002","92.051","0.002","95.982","0.002","132.962","0.006","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cu0.65 O4 W Zn0.35 -","- O4 W Zn -","- O8 W2 Zn2 -","2","1","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101686","4.7013","0.0004","5.8207","0.0004","4.889","0.0002","88.678","0.004","92.073","0.004","96.099","0.004","132.918","0.016","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cu0.7 O4 W Zn0.3 -","- O4 W Zn -","- O8 W2 Zn2 -","2","1","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101687","4.70508","0.00013","5.82979","0.00011","4.88441","0.00007","88.5414","0.0013","92.2845","0.0012","96.6112","0.0013","132.951","0.005","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cu0.7 O4 W Zn0.25 -","- O4 W Zn -","- O8 W2 Zn2 -","2","1","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101688","4.70707","0.00019","5.83407","0.00018","4.88649","0.0001","88.511","0.002","92.3254","0.0017","96.735","0.0019","133.124","0.007","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cu0.8 O4 W Zn0.2 -","- O4 W Zn -","- O8 W2 Zn2 -","2","1","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101689","4.70559","0.00012","5.83597","0.0001","4.88391","0.00006","88.4601","0.0012","92.3623","0.001","96.8837","0.0011","133.008","0.004","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cu0.85 O4 W Zn0.15 -","- O4 W Zn -","- O8 W2 Zn2 -","2","1","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101690","4.7095","0.0002","5.8403","0.0002","4.88323","0.00011","88.413","0.002","92.5035","0.0018","97.095","0.002","133.123","0.008","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cu0.9 O4 W Zn0.1 -","- O4 W Zn -","- O8 W2 Zn2 -","2","1","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101691","4.70682","0.00011","5.83985","0.0001","4.88214","0.00006","88.3889","0.0011","92.4646","0.001","97.1148","0.001","133.004","0.004","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cu0.95 O4 W Zn0.05 -","- O4 W Zn -","- O8 W2 Zn2 -","2","1","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101692","4.70953","0.00016","5.84516","0.00014","4.88492","0.00008","88.353","0.0016","92.5081","0.0014","97.2047","0.0015","133.246","0.006","","","","","","","","","","","","3","P -1","-P 1","2","","","","- Cu O4 W -","- Cu O4 W -","- Cu2 O8 W2 -","2","1","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101693","4.13814","0.00004","4.13814","0.00004","4.13814","0.00004","90","","90","","90","","70.8623","0.0012","165","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- B6 Ce -","- B6 Ce -","- B6 Ce -","1","0.0208333","OA0003","Tanaka, K.; Kato, Y.; Onuki, Y.","4<i>f</i>-Electron Density Distribution in Crystals of CeB~6~ at 165 K and its Analysis Based on the Crystal Field Theory","Acta Crystallographica Section B","1997","53","1","143","152","10.1107/S0108768196009019","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101694","16.228","0.005","8.442","0.004","13.113","0.004","90","","110.26","0.01","90","","1685.3","1.1","295","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H16 Cu N2 S18 -","- C22 H16 Cu N2 S18 -","- C44 H32 Cu2 N4 S36 -","2","1","PA0300","Rahal, M.; Chasseau, D.; Gaultier, J.; Ducasse, L.; Kurmoo, M.; Day, P.","Isothermal Compressibility and Pressure Dependence of the Crystal Structures of the Superconducting Charge-Transfer Salt κ-(BEDT-TTF)~2~Cu(NCS)~2~ [BEDT-TTF = Bis(ethylenedithio)tetrathiafulvalene]","Acta Crystallographica Section B","1997","53","1","159","167","10.1107/S0108768195012122","","","0.71073","MoKα","","","0.051","","","0.06","","","","","1","1","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101695","16.138","0.003","8.3","0.001","12.829","0.003","90","","111.27","0.02","90","","1601.3","0.6","295","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H16 Cu N2 S18 -","- C22 H16 Cu N2 S18 -","- C44 H32 Cu2 N4 S36 -","2","1","PA0300","Rahal, M.; Chasseau, D.; Gaultier, J.; Ducasse, L.; Kurmoo, M.; Day, P.","Isothermal Compressibility and Pressure Dependence of the Crystal Structures of the Superconducting Charge-Transfer Salt κ-(BEDT-TTF)~2~Cu(NCS)~2~ [BEDT-TTF = Bis(ethylenedithio)tetrathiafulvalene]","Acta Crystallographica Section B","1997","53","1","159","167","10.1107/S0108768195012122","","","0.71073","MoKα","","","0.098","","","0.052","","","","","2.4","2.4","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101696","13.684","0.002","13.684","0.002","19.482","0.005","90","","90","","90","","3648","1.2","298","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C4 H8 O35 Si17 -","- C4 O38 Si17 -","- C16 O152 Si68 -","4","0.25","SE0181","Knorr, K.; Depmeier, W.","Room-Temperatrue Structure and Geometrical Analysis of the Cubic‒Tetragonal Phase Transition in Dodecasil 3C-THF","Acta Crystallographica Section B","1997","53","1","18","24","10.1107/S010876819600972X","","","0.71069","MoKα","","","0.034","","","0.094","","","","","1.147","1.147","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101697","8.198","0.002","8.198","0.002","8.198","0.002","90","","90","","90","","551","0.2","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","","","","","- F6 Na Sb -","- F6 Na Sb -","- F24 Na4 Sb4 -","4","0.0208333","SE0203","Sowa, H.","Pressure-Induced <i>Fm</i>-3<i>m</i> <i>R</i>-3 Phase Transition in NaSbF~6~","Acta Crystallographica Section B","1997","53","1","25","31","10.1107/S010876819601066X","","","0.7107","MoKα","","","0.0225","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101698","10.835","0.005","5.279","0.012","7.067","0.008","90","","90","","90","","404.2","0.4","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","Sodium magnesiosilicate","","- Mg Na2 O4 Si -","- Mg Na2 O4 Si -","- Mg4 Na8 O16 Si4 -","4","1","AB0354","Withers, Ray L.; Lobo, Charlene; Thompson, John G.; Schmid, Siegbert","A Modulation Wave Approach to the Structural Characterisation of Three New Cristobalite-related Sodium Magnesiosilicates","Acta Crystallographica, Section B","1997","53","2","203","220","10.1107/S0108768196012335","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101699","10.835","0.005","5.279","0.012","7.067","0.008","90","","90","","90","","404.2","0.4","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","Sodium magnesiosilicate","","- Mg Na2 O4 Si -","- Mg Na2 O4 Si -","- Mg4 Na8 O16 Si4 -","4","1","AB0354","Withers, Ray L.; Lobo, Charlene; Thompson, John G.; Schmid, Siegbert","A Modulation Wave Approach to the Structural Characterisation of Three New Cristobalite-related Sodium Magnesiosilicates","Acta Crystallographica, Section B","1997","53","2","203","220","10.1107/S0108768196012335","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101700","10.835","0.005","5.279","0.012","7.067","0.008","90","","90","","90","","404.2","0.4","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","Sodium magnesiosilicate","","- Mg Na2 O4 Si -","- Mg Na2 O4 Si -","- Mg4 Na8 O16 Si4 -","4","1","AB0354","Withers, Ray L.; Lobo, Charlene; Thompson, John G.; Schmid, Siegbert","A Modulation Wave Approach to the Structural Characterisation of Three New Cristobalite-related Sodium Magnesiosilicates","Acta Crystallographica, Section B","1997","53","2","203","220","10.1107/S0108768196012335","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101701","10.835","0.005","5.279","0.012","7.067","0.008","90","","90","","90","","404.2","0.4","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","Sodium magnesiosilicate","","- Mg Na2 O4 Si -","- Mg Na2 O4 Si -","- Mg4 Na8 O16 Si4 -","4","1","AB0354","Withers, Ray L.; Lobo, Charlene; Thompson, John G.; Schmid, Siegbert","A Modulation Wave Approach to the Structural Characterisation of Three New Cristobalite-related Sodium Magnesiosilicates","Acta Crystallographica, Section B","1997","53","2","203","220","10.1107/S0108768196012335","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101702","10.487","0.007","14.351","0.004","5.243","0.006","90","","90","","90","","789.1","1.1","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Sodium magnesiosilicate","","- Al0.15 Mg0.79 Na1.74 O4 Si1.06 -","- Mg0.865 Na1.74 O4 Si1.135 -","- Mg6.92 Na13.92 O32 Si9.08 -","8","1","AB0354","Withers, Ray L.; Lobo, Charlene; Thompson, John G.; Schmid, Siegbert","A Modulation Wave Approach to the Structural Characterization of Three New Cristobalite-Related Sodium Magnesiosilicates","Acta Crystallographica Section B","1997","53","2","203","220","10.1107/S0108768196012335","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101703","5.33","0.006","5.33","0.006","7.086","0.005","90","","90","","90","","201.3","0.4","293","","293","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Sodium magnesiosilicate","","- Mg0.9 Na1.8 O4 Si1.1 -","- Mg0.9 Na1.8 O4 Si1.1 -","- Mg1.8 Na3.6 O8 Si2.2 -","2","0.25","AB0354","Withers, Ray L.; Lobo, Charlene; Thompson, John G.; Schmid, Siegbert","A Modulation Wave Approach to the Structural Characterization of Three New Cristobalite-Related Sodium Magnesiosilicates","Acta Crystallographica Section B","1997","53","2","203","220","10.1107/S0108768196012335","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101704","4.6085","0.0001","4.6085","0.0001","3.0867","0.0001","90","","90","","90","","65.556","0.003","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","","","","","- O4 Sb0.92 V1.08 -","- O2 Sb V -","- O4 Sb2 V2 -","2","0.125","AB0356","Landa-Cánovas, A. R.; Hansen, S.; Ståhl, K.","Rutile Superstructure of Sb~0.9~V~1.1~O~4~","Acta Crystallographica Section B","1997","53","2","221","230","10.1107/S0108768196012955","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101705","6.5174","","6.5174","","6.1734","","90","","90","","90","","262.224","","","","","","","","","","","","","3","I 41 m d","I 41b -2","","","","","- O4 Sb0.9 V1.1 -","- O4 Sb V -","- O16 Sb4 V4 -","4","0.25","AB0356","Landa-Cánovas, A. R.; Hansen, S.; Ståhl, K.","Rutile Superstructure of Sb~0.9~V~1.1~O~4~","Acta Crystallographica Section B","1997","53","2","221","230","10.1107/S0108768196012955","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101706","8.356","0.002","10.842","0.002","8.544","0.002","90","","94.13","0.02","90","","772","0.3","122","0.5","122","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-(-)-ortho-fluoromandelic acid","","- C8 H7 F O3 -","- C8 H7 F O3 -","- C32 H28 F4 O12 -","4","2","AB0363","Larsen, S.; Marthi, K.","Structures of the Optically Active Monofluoro-Substituted Mandelic Acids: Relation to Their Racemic Counterparts and Thermochemical Properties","Acta Crystallographica Section B","1997","53","2","280","292","10.1107/S0108768196013419","","","1.54184","CuKα","","0.0294","0.0287","","0.0759","0.0749","","","","1.104","1.102","1.102","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101707","8.493","0.003","5.8426","0.0007","15.628","0.003","90","","104.1","0.02","90","","752.1","0.3","112","0.5","112","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-(-)-meta-fluoromandelic acid","","- C8 H7 F O3 -","- C8 H7 F O3 -","- C32 H28 F4 O12 -","4","2","AB0363","Larsen, S.; Marthi, K.","Structures of the Optically Active Monofluoro-Substituted Mandelic Acids: Relation to Their Racemic Counterparts and Thermochemical Properties","Acta Crystallographica Section B","1997","53","2","280","292","10.1107/S0108768196013419","","","1.54184","CuKα","","0.0329","0.0292","","0.0873","0.0827","","","","1.052","1.057","1.057","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101708","8.464","0.002","5.8518","0.0013","15.868","0.002","90","","107.56","0.02","90","","749.3","0.3","122","0.5","122","0.5","","","","","","","","4","C 1 2 1","C 2y","5","","(R)-(-)-para-fluoromandelic acid","","- C8 H7 F O3 -","- C8 H7 F O3 -","- C32 H28 F4 O12 -","4","1","AB0363","Larsen, S.; Marthi, K.","Structures of the Optically Active Monofluoro-Substituted Mandelic Acids: Relation to Their Racemic Counterparts and Thermochemical Properties","Acta Crystallographica Section B","1997","53","2","280","292","10.1107/S0108768196013419","","","0.71073","MoKα","","0.0432","0.0356","","0.1134","0.0948","","","","1.121","1.099","1.099","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101709","9.1314","","12.8672","","13.0317","","90","","126.603","","90","","1229.2","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H12 Cl2 N2 O2 Sn -","- C6 H12 Cl2 N2 O2 Sn -","- C24 H48 Cl8 N8 O8 Sn4 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","199469","2020-10-21","18:00:00",""
"2101710","19.463","0.003","18.92","0.003","8.735","0.001","90","","112.5","0.1","90","","2972","2","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3 H4 F K O4 -","- C3 H2 F K O4 -","- C60 H40 F20 K20 O80 -","20","2.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101711","19.369","0.008","9.06","0.004","28.76","0.01","90","","103.13","0.03","90","","4915","3","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H68 Co2 N10 O6 -","- C42 Co2 N10 O10 -","- C168 Co8 N40 O40 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101712","9.147","0.006","20.925","0.01","11.276","0.013","90","","109.33","0.06","90","","2037","3","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 Br4 -","- C20 H24 Br4 -","- C80 H96 Br16 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","199469","2020-10-21","18:00:00",""
"2101713","10.632","","73.538","","10.097","","90","","90","","90","","7894.4","","","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C16 H15 Cl3 N2 O5 S -","- C16 H15 Cl3 N2 O5 S -","- C256 H240 Cl48 N32 O80 S16 -","16","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101714","20.074","","42.388","","10.497","","90","","90","","90","","8931.86","","","","","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C36 H46 F12 N6 Ni O2 P2 -","- C36 H46 F12 N6 Ni O2 P2 -","- C288 H368 F96 N48 Ni8 O16 P16 -","8","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","199469","2020-10-21","18:00:00",""
"2101715","12.593","0.002","15.466","0.003","20.479","0.003","90","","100.03","0.04","90","","3927.6","1.2","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H30 F6 N O5 P2 Rh -","- C40 H30 F6 N O5 P2 Rh -","- C160 H120 F24 N4 O20 P8 Rh4 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","199469","2020-10-21","18:00:00",""
"2101716","13.591","0.006","10.704","0.007","14.416","0.006","90","","101.29","0.01","90","","2056.6","1.8","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H25 Cl2 N2 O10 Rh -","- C14 Cl2 N2 O10 Rh -","- C56 Cl8 N8 O40 Rh4 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101717","11.364","","32.149","","12.831","","90","","90","","90","","4687.69","","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C11 H14 O6 -","- C11 H14 O6 -","- C176 H224 O96 -","16","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101718","20.712","","32.934","","9.78","","90","","90","","90","","6671.22","","","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H30 Cl2 Co O2 P2 -","- C36 H30 Cl2 Co O2 P2 -","- C288 H240 Cl16 Co8 O16 P16 -","8","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101719","12.7","0.01","12.6","0.01","24.45","0.02","90","","91","0.1","90","","3912","5","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H21 Cl3 Cu N O P -","- C16 H21 Cl3 Cu N O P -","- C128 H168 Cl24 Cu8 N8 O8 P8 -","8","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","199469","2020-10-21","18:00:00",""
"2101720","14.924","","14.924","","41.145","","90","","90","","120","","7936.3","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C24 H33 Cl3 Ir P3 -","- C24 H33 Cl3 Ir P3 -","- C288 H396 Cl36 Ir12 P36 -","12","0.666667","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101721","17.22","0.02","5.92","0.02","22.14","0.02","90","","116.6","0.5","90","","2018","12","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 Cu N3 O4 -","- C20 Cu N2 O4 -","- C80 Cu4 N8 O16 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101722","10.217","0.002","19.954","0.003","17.1","0.003","90","","98.14","0.03","90","","3451.1","1.1","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H20 Cr2 O11 P2 -","- C34 H20 Cr2 O11 P2 -","- C136 H80 Cr8 O44 P8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101723","10.017","0.009","19.639","0.008","20.129","0.002","90","","106.744","0.005","90","","3792","4","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H72 Si4 -","- C32 H72 Si4 -","- C128 H288 Si16 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101724","14.088","0.003","11.237","0.005","13.331","0.003","90","","90.97","0.02","90","","2110.1","1.1","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H29 Cl5 N2 Sn -","- C8 H24 Cl5 N2 Sn -","- C32 H96 Cl20 N8 Sn4 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","194546","2020-10-21","18:00:00",""
"2101725","14.277","0.004","11.669","0.002","14.163","0.003","90","","90.3","0.02","90","","2359.5","0.9","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H33 Br5 N2 Sn -","- C8 H24 Br5 N2 Sn -","- C32 H96 Br20 N8 Sn4 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","194546","2020-10-21","18:00:00",""
"2101726","20.95","","29.162","","5.603","","90","","90","","90","","3423.12","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C17 H18 N4 O2 P2 -","- C17 H18 N4 O2 P2 -","- C136 H144 N32 O16 P16 -","8","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101727","14.003","0.006","18.397","0.007","17.571","0.006","90","","96.46","0.03","90","","4498","3","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H68 Fe Mo2 N3 S10 -","- C20 Fe Mo2 N2 S10 -","- C80 Fe4 Mo8 N8 S40 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101728","12.522","","12.522","","13.833","","90","","90","","120","","1878.43","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C12 H9 O3 P Se -","- C12 H9 O3 P Se -","- C72 H54 O18 P6 Se6 -","6","0.333333","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101729","12.665","0.002","14.449","0.002","18.402","0.003","90","","102.94","0.01","90","","3282","0.9","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H36 Cl2 N4 Pd2 -","- C20 Cl2 N4 Pd2 -","- C80 Cl8 N16 Pd8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101730","7.59","0.01","11.72","0.02","8.85","0.01","90","","96.3","","90","","782.5","1.9","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H8 Cl2 Ge O2 -","- C4 H8 Cl2 Ge O2 -","- C16 H32 Cl8 Ge4 O8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2101731","26.54","0.01","9.208","0.003","21.595","0.009","90","","135.3","0.02","90","","3712","3","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H46 Cr4 Mn S6 -","- C32 Cr4 Mn S6 -","- C128 Cr16 Mn4 S24 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101732","26.738","0.005","9.195","0.001","21.419","0.003","90","","135.976","0.002","90","","3659.6","1","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H46 Cr4 Fe S6 -","- C32 H46 Cr4 Fe S6 -","- C128 H184 Cr16 Fe4 S24 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","194525","2020-10-21","18:00:00",""
"2101733","21.04","0.008","9.172","0.003","14.873","0.006","90","","125.05","","90","","2349.7","1.5","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H38 N4 O7 -","- C20 N4 O7 -","- C80 N16 O28 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101734","20.495","","21.172","","11.554","","90","","99.98","","90","","4937.65","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H88 Si4 -","- C40 H88 Si4 -","- C160 H352 Si16 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101735","18.706","0.007","9.961","0.001","12.404","0.003","90","","131.36","0.01","90","","1734.8","0.8","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 Cl4 O2 Sb -","- C15 Cl4 O2 Sb -","- C60 Cl16 O8 Sb4 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101736","24.002","0.002","11.957","0.003","22.399","0.006","90","","111.805","0.003","90","","5968","2","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H74 O8 P4 Rh6 -","- C40 O8 P4 Rh6 -","- C160 O32 P16 Rh24 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101737","15.348","","15.348","","40.703","","90","","90","","120","","8303.49","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C63 H45 Br3 Ni2 -","- C63 Br3 Ni2 -","- C378 Br18 Ni12 -","6","0.333333","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101738","23.088","0.008","6.987","0.001","23.641","0.008","90","","99.25","0.03","90","","3764.1","1.9","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Cu N6 O4 -","- C36 H36 Cu N6 O4 -","- C144 H144 Cu4 N24 O16 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101739","12.423","","22.107","","9.363","","90","","90","","90","","2571.41","","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C128 H128 O16 -","8","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101740","21.32","0.005","21.869","0.003","13.029","0.005","90","","118.28","0.01","90","","5350","3","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H47 Cu6 Mo6 N3 O7 S19 -","- Cu6 Mo6 O6 S19 -","- Cu24 Mo24 O24 S76 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101741","15.994","0.005","11.238","0.003","21.793","0.006","90","","102.41","0.02","90","","3825.6","1.9","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H32 O5 -","- C20 H32 O5 -","- C160 H256 O40 -","8","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101742","14.207","0.004","24.289","0.004","11.773","0.002","90","","96.27","0.02","90","","4038.3","1.5","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H46 O14 V2 -","- C32 H38 O14 V2 -","- C128 H152 O56 V8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101743","17.399","0.004","11.655","0.003","8.701","0.004","90","","95.86","0.02","90","","1755.2","1","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 B Cs O14 -","- C12 B Cs O14 -","- C48 B4 Cs4 O56 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101744","11.969","","14.057","","10.851","","90","","120.59","","90","","1571.59","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H23 N O2 -","- C17 H30 N O2 -","- C68 H120 N4 O8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101745","18.8487","0.0007","11.1363","0.0003","12.406","0.0007","90","","108.535","0.004","90","","2469","0.19","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Co N6 O9 S2 -","- C18 Co N6 O9 S2 -","- C72 Co4 N24 O36 S8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101746","22.08","0.02","14.47","0.01","30.72","0.02","90","","95.1","0.5","90","","9776","15","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H38 O6 P2 Pt -","- C54 O6 P2 Pt -","- C432 O48 P16 Pt8 -","8","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101747","10.127","0.002","19.197","0.004","12.23","0.003","90","","90.39","0.02","90","","2377.6","0.9","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H38 Co N2 O4 -","- C20 H34 Co N2 O4 -","- C80 H136 Co4 N8 O16 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101748","16.484","0.005","7.725","0.002","17.1","0.002","90","","116.67","0.02","90","","1945.8","0.9","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Ag N9 O3 -","- C20 Ag N9 O3 -","- C80 Ag4 N36 O12 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101749","12.192","0.002","14.125","0.002","20.474","0.004","90","","92.85","0.02","90","","3521.5","1","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Cl N2 O P2 Rh -","- C39 H34 N2 P2 Rh -","- C156 H136 N8 P8 Rh4 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101750","10.144","0.002","7.866","0.002","15.503","0.004","90","","105.02","0.02","90","","1194.8","0.5","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H16 O5 Si2 -","- C9 H16 O5 Si2 -","- C36 H64 O20 Si8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101751","16.445","0.004","13.889","0.004","12.77","0.003","90","","122.82","0.01","90","","2451.2","1.1","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 Cu2 N10 O11 S2 -","- C14 Cu2 N10 O11 S2 -","- C56 Cu8 N40 O44 S8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101752","15.524","","15.524","","17.294","","90","","90","","90","","4167.76","","","","","","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C9 H29 I O2 Sn3 -","- C9 H29 I O2 Sn3 -","- C72 H232 I8 O16 Sn24 -","8","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","189073","2020-10-21","18:00:00",""
"2101753","15.508","","59.948","0.006","7.226","0.001","90","","90","","90","","6717.8","1.1","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H23 N3 O11.5 V -","- C10 H9 N3 O11.5 V -","- C160 H144 N48 O184 V16 -","16","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","199468","2020-10-21","18:00:00",""
"2101754","11.421","0.001","6.019","0.001","10.177","0.001","90","","104.62","0.01","90","","676.95","0.15","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C5 H6 N2 O4 -","- C5 H6 N2 O4 -","- C20 H24 N8 O16 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101755","15.91","0.009","13.04","0.004","16.522","0.007","90","","116.33","0.03","90","","3072","2","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H39 N3 O4 Sr -","- C32 H39 N3 O4 Sr -","- C128 H156 N12 O16 Sr4 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","189062","2020-10-21","18:00:00",""
"2101756","14.911","0.002","10.589","0.001","8.765","0.001","90","","114.21","0.01","90","","1262.2","0.3","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H10 Cu F6 N S2 -","- C7 H10 Cu F6 N S2 -","- C28 H40 Cu4 F24 N4 S8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101757","16.153","","43.501","","11.429","","90","","90","","90","","8030.83","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C32 H48 I2 Na2 O14 -","- C32 I2 Na2 O14 -","- C256 I16 Na16 O112 -","8","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101758","22.643","","22.643","","13.401","","90","","90","","120","","5950.26","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C24 H67 N25 Si4 -","- C24 H48 N25 Si4 -","- C144 H288 N150 Si24 -","6","0.333333","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101759","12.967","0.001","13.801","0.001","20.368","0.002","90","","94.7","0.01","90","","3632.8","0.5","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H37 Cl O P2 Ru -","- C43 H37 P2 Ru -","- C172 H148 P8 Ru4 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","191021","2020-10-21","18:00:00",""
"2101760","32.228","0.013","16.373","0.006","20.689","0.005","90","","114.49","0.02","90","","9935","6","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C44 H80 Si5 -","- C44 Si5 -","- C352 Si40 -","8","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101761","17.601","0.007","12.906","0.007","14.107","0.008","90","","124.08","0.04","90","","2654","3","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H38 N6 O16 S2 W2 -","- C12 H38 N6 O15 S2 W2 -","- C48 H152 N24 O60 S8 W8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2101762","17.635","0.002","9.561","0.001","18.234","0.004","90","","97.24","0.01","90","","3049.9","0.8","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 O12 Rh6 -","- C24 O12 Rh6 -","- C96 O48 Rh24 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101763","33.226","0.003","11.986","0.002","14.102","0.002","90","","92.72","0.05","90","","5609.7","1.3","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H26 N9 S3 Y -","- C25 H26 N9 S3 Y -","- C200 H208 N72 S24 Y8 -","8","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101764","33.244","0.003","11.976","0.002","14.164","0.002","90","","92.72","0.05","90","","5632.8","1.4","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H26 Eu N9 S3 -","- C25 H26 Eu N9 S3 -","- C200 H208 Eu8 N72 S24 -","8","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101765","9.503","0.002","16.429","0.006","15.18","","90","","90","","90","","2370","1","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C15 H14 N2 -","- C15 H14 N2 -","- C120 H112 N16 -","8","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101766","24.952","0.002","9.179","0.001","15.262","0.001","90","","116.34","0.02","90","","3132.6","0.7","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H31 Ag O2 P2 -","- C37 Ag O2 P2 -","- C148 Ag4 O8 P8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101767","17.333","0.006","16.072","0.005","12.354","0.004","90","","96.48","0.04","90","","3420","2","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 F12 Pt S2 -","- C36 F12 Pt S2 -","- C144 F48 Pt4 S8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101768","30.71","0.02","18.495","","9.685","0.005","90","","90","","90","","5501","5","","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C26 H38 As Cl Si2 Ti2 -","- C26 H38 As Cl Si2 Ti2 -","- C208 H304 As8 Cl8 Si16 Ti16 -","8","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","194525","2020-10-21","18:00:00",""
"2101769","24.4019","0.0006","11.9871","0.0005","7.4982","0.0003","90","","103.749","0.004","90","","2130.44","0.14","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Cl2 N4 Ni O12 -","- C14 Cl2 N4 Ni O12 -","- C56 Cl8 N16 Ni4 O48 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101770","19.169","0.008","9.079","0.004","14.636","0.006","90","","127.21","0.02","90","","2028.6","1.6","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H32 N2 O4 -","- C20 H32 N2 O4 -","- C80 H128 N8 O16 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101771","36.69","0.01","8.302","0.008","11.732","0.008","90","","90.02","0.06","90","","3574","4","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cl Hg N2 S18 -","- C22 Cl Hg N2 S18 -","- C88 Cl4 Hg4 N8 S72 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101772","15.524","0.003","8.52","0.002","15.588","0.003","90","","108.64","0.03","90","","1953.6","0.8","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H28 Ni O4 -","- C16 H28 Ni O4 -","- C64 H112 Ni4 O16 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101773","24.758","","15.25","0.002","18.811","","90","","129.98","","90","","5442.2","0.7","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H35 O P Ru Si2 -","- C28 H35 O P Ru Si2 -","- C224 H280 O8 P8 Ru8 Si16 -","8","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","194529","2020-10-21","18:00:00",""
"2101774","52.7","0.1","4.81","0.01","8.86","0.02","90","","113.7","0.2","90","","2056","8","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H39 O2 P -","- C18 O2 P -","- C72 O8 P4 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101775","24.301","0.009","8.075","0.002","18.131","0.006","90","","91.44","0.03","90","","3557","2","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H25 Cl6 Cu N5 O7 -","- C32 Cl6 Cu N5 O7 -","- C128 Cl24 Cu4 N20 O28 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101776","26.24","0.009","6.109","0.003","26.756","0.009","90","","87.9","0.1","90","","4286","3","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 O4 -","- C25 H24 O4 -","- C200 H192 O32 -","8","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101777","12.332","0.006","13.867","0.008","9.443","0.005","90","","122.75","0.05","90","","1358.1","1.5","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 F12 O5 Sb2 -","- C4 F12 O5 Sb2 -","- C16 F48 O20 Sb8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101778","16.143","0.009","7.067","0.007","15.058","0.018","90","","108.72","0.08","90","","1627","3","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 I2 N2 O7 -","- C12 H10 I2 N2 O7 -","- C48 H40 I8 N8 O28 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","199469","2020-10-21","18:00:00",""
"2101779","17.481","0.004","15.05","0.003","18.15","0.006","90","","95.23","0.02","90","","4755","2","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H44 B F5 Mo O P4 -","- C52 F2 Mo O2 P4 -","- C208 F8 Mo4 O8 P16 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101780","13.506","0.004","11.081","0.002","15.577","0.005","90","","92.68","0.03","90","","2328.7","1.1","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H30 O2 Yb -","- C26 H30 O2 Yb -","- C104 H120 O8 Yb4 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","194546","2020-10-21","18:00:00",""
"2101781","15.305","","15.305","","19.451","","90","","90","","120","","3945.84","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C15 H45 N3 Si4 Ti -","- C15 N3 Si4 Ti -","- C90 N18 Si24 Ti6 -","6","0.333333","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101782","15.351","","15.351","","19.52","","90","","90","","120","","3983.67","","","","","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C15 H45 Ge N3 Si3 Ti -","- C15 Ge N3 Si3 Ti -","- C90 Ge6 N18 Si18 Ti6 -","6","0.333333","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101783","13.413","0.007","9.063","0.004","12.261","0.009","90","","121.71","0.06","90","","1268","1.5","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cl2 N2 Pt -","- C12 Cl2 N2 Pt -","- C48 Cl8 N8 Pt4 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101784","14.132","0.003","75.251","","8.828","0.008","90","","90","","90","","9388","9","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C24 H36 Ir2 S -","- C24 H34 Ir2 S -","- C384 H544 Ir32 S16 -","16","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101785","14.501","","8.236","0.001","14.858","0.008","90","","112.53","","90","","1639.1","0.9","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Cl Cu N2 O4 -","- C14 H6 Cl Cu N2 O4 -","- C56 H24 Cl4 Cu4 N8 O16 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101786","17.213","0.007","6.342","0.003","8.168","0.004","90","","97.7","0.03","90","","883.6","0.7","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 F6 Na2 O4 Sb2 -","- C2 F6 Na2 O4 Sb2 -","- C8 F24 Na8 O16 Sb8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101787","27.429","0.005","7.664","0.003","13.183","0.004","90","","109.04","0.01","90","","2619.7","1.4","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 Cl4 O4 -","- C28 H26 Cl4 O4 -","- C112 H104 Cl16 O16 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101788","18.391","0.002","9.753","0.001","21.664","0.003","90","","120.094","0.008","90","","3362","0.7","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H31 Cl2 F2 P2 Rh -","- C37 Cl2 P2 Rh -","- C148 Cl8 P8 Rh4 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101789","26.354","0.003","5.163","0.001","23.654","0.003","90","","91.2","0.1","90","","3217.8","0.8","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Br N O -","- C20 H16 Br N O -","- C160 H128 Br8 N8 O8 -","8","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101790","15.927","0.004","11.726","0.002","14.422","0.007","90","","91.38","0.03","90","","2692.7","1.5","","","","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C13 H34 B2 Co F8 N P4 S2 -","- C13 B2 Co F8 N P4 S2 -","- C52 B8 Co4 F32 N4 P16 S8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101791","56.474","0.008","11.457","","6.185","","90","","90","","90","","4001.8","0.6","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C27 H22 N2 -","- C27 N2 -","- C216 N16 -","8","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101792","9.198","0.002","12.444","0.002","9.963","0.003","90","","96.76","0.02","90","","1132.4","0.5","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H16 Co N7 O6 -","- C4 H16 Co N7 O6 -","- C16 H64 Co4 N28 O24 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101793","25.448","0.007","8.483","0.002","14.512","0.003","90","","101.53","0.02","90","","3069.6","1.3","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H40 O2 Ti2 -","- C37 H40 O2 Ti2 -","- C148 H160 O8 Ti8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101794","20.444","0.007","9.764","0.004","19.589","0.009","90","","104.27","0.03","90","","3790","3","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H38 O12 Rh6 S4 -","- C20 H24 O12 Rh6 S4 -","- C80 H96 O48 Rh24 S16 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","194525","2020-10-21","18:00:00",""
"2101795","25.442","0.008","10.051","0.003","27.062","0.01","90","","94.5","0.1","90","","6899","4","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C73 H108 O12 -","- C73 H108 O12 -","- C292 H432 O48 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101796","12.972","0.003","10.537","0.002","9.567","0.002","90","","104.09","0.03","90","","1268.3","0.5","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Br2 N2 -","- C13 H10 Br2 N2 -","- C52 H40 Br8 N8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101797","18.715","0.004","18.401","0.004","12.794","0.003","90","","122.09","0.02","90","","3732.8","1.7","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34.12 H41.48 Cl2 Co N5 O3.12 S2 -","- C31 H29 Cl2 Co N5 S2 -","- C124 H116 Cl8 Co4 N20 S8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","199468","2020-10-21","18:00:00",""
"2101798","17.47","","25.519","0.011","19.9","","90","","90","","90","","8872","4","","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C16 H23 Ni P S4 W -","- C11 Ni P S4 W -","- C176 Ni16 P16 S64 W16 -","16","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101799","20.808","0.002","12.368","0.002","20.514","0.002","90","","111.446","0.008","90","","4913.8","1.1","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H42 Cl6 N2 O6 P2 Rh2 -","- C46 H34 Cl6 N2 O6 P2 Rh2 -","- C184 H136 Cl24 N8 O24 P8 Rh8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101800","15.805","0.005","12.727","0.003","18.157","0.005","90","","97.67","0.02","90","","3619.6","1.7","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H50 Al4 Cl4 O8 -","- C21 Al4 Cl4 O8 -","- C84 Al16 Cl16 O32 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101801","13.203","","13.203","","9.639","","90","","90","","120","","1455.15","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C6 H9 As O6 -","- C6 H9 As O6 -","- C36 H54 As6 O36 -","6","0.333333","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101802","37.329","0.009","24.606","","5.876","0.003","90","","90","","90","","5397","3","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C17 H15 Fe N -","- C17 H15 Fe N -","- C272 H240 Fe16 N16 -","16","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","199471","2020-10-21","18:00:00",""
"2101803","15.044","0.001","32.288","","5.288","0.001","90","","90","","90","","2568.6","0.5","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C6 H4 N2 O2 -","- C6 H4 N2 O2 -","- C96 H64 N32 O32 -","16","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101804","18.154","0.005","12.533","0.002","14.447","0.003","90","","101.69","0.02","90","","3218.9","1.2","","","","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C15 H38 B2 Co F8 N O8 P4 S2 -","- C15 B2 Co F8 N O8 P4 S2 -","- C60 B8 Co4 F32 N4 O32 P16 S8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101805","12.9","0.003","7.74","0.002","49.85","0.01","90","","90.65","0.03","90","","4977","2","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H20 N4 S24 -","- C40 H20 N4 S24 -","- C160 H80 N16 S96 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101806","9.792","0.001","16.978","0.003","9.371","0.001","90","","115.02","0.01","90","","1411.7","0.3","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 O -","- C17 H24 O -","- C68 H96 O4 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101807","22.55","0.02","37.14","0.01","18.994","0.007","90","","114.6","0.05","90","","14464","16","295.2","","295.2","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C80 H112 N8 Ni -","- C80 H112 N8 Ni -","- C640 H896 N64 Ni8 -","8","1","AN0534","Helliwell, M.; Deacon, A.; Moon, K. J.; Powell, A. K.; Cook, M. J.","Two Crystal Structures Towards the Discotic Columnar Mesophase of (1,4,8,11,15,18,22,25-Octahexylphthalocyaninato)nickel","Acta Crystallographica Section B","1997","53","2","231","240","10.1107/S0108768196013043","","","1.5418","CuKα","","","0.165","","","0.1347","","","","","3.294","3.294","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101808","22.347","0.0013","37.246","0.0013","18.834","0.003","90","","115.185","0.01","90","","14186","3","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C80 H112 N8 Ni -","- C80 H112 N8 Ni -","- C640 H896 N64 Ni8 -","8","2","AN0534","Helliwell, M.; Deacon, A.; Moon, K. J.; Powell, A. K.; Cook, M. J.","Two Crystal Structures Towards the Discotic Columnar Mesophase of (1,4,8,11,15,18,22,25-Octahexylphthalocyaninato)nickel","Acta Crystallographica Section B","1997","53","2","231","240","10.1107/S0108768196013043","","","0.504","Synchrotron","","0.1237","0.0687","","0.2117","0.1599","","","","1.103","1.116","1.116","","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2101809","11.21","0.003","15.181","0.004","7.734","0.002","90","","102.75","0.03","90","","1283.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(2)","","","- C13 H11 N3 O4 -","- C13 H11 N3 O4 -","- C52 H44 N12 O16 -","4","1","DE0002","Khatib, S.; Botoshansky, M.; Eichen, Y.","Effects of Crystal Packing on Photoinduced Proton-Transfer Processes of 2,4-Dinitrobenzylpyridine Derivatives","Acta Crystallographica Section B","1997","53","2","306","316","10.1107/S0108768196013729","","","0.7107","MoKα","","0.074","0.0566","","0.213","0.1659","","","","1.262","1.091","1.091","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2101810","10.214","0.003","13.221","0.004","10.068","0.003","92.12","0.03","105.29","0.03","89.55","0.03","1310.6","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","(3)","alpha-(2-pyridine)-2,4-dinitrophenylethenyl","","- C13 H11 N3 O4 -","- C13 H11 N3 O4 -","- C52 H44 N12 O16 -","4","2","DE0002","Khatib, S.; Botoshansky, M.; Eichen, Y.","Effects of Crystal Packing on Photoinduced Proton-Transfer Processes of 2,4-Dinitrobenzylpyridine Derivatives","Acta Crystallographica Section B","1997","53","2","306","316","10.1107/S0108768196013729","","","0.7107","MoKα","","0.1329","0.064","","0.2129","0.125","","","","1.183","1.342","1.342","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101811","9.941","0.003","11.195","0.003","15.463","0.005","90","","102.29","0.03","90","","1681.4","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(4)","","","- C18 H14 N4 O4 -","- C18 H14 N4 O4 -","- C72 H56 N16 O16 -","4","1","DE0002","Khatib, S.; Botoshansky, M.; Eichen, Y.","Effects of Crystal Packing on Photoinduced Proton-Transfer Processes of 2,4-Dinitrobenzylpyridine Derivatives","Acta Crystallographica Section B","1997","53","2","306","316","10.1107/S0108768196013729","","","0.7107","MoKα","","0.1064","0.0575","","0.1723","0.1214","","","","1.108","1.23","1.23","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101812","17.983","0.002","20.682","0.003","9.384","0.006","90","","90","","90","","3490","2","294","","294.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 O3 P2 -","- C42 H35 O3 P2 -","- C168 H140 O12 P8 -","4","1","FG0006","Fu, T. Y.; Liu, Z.; Olovsson, G.; Scheffer, J. R.; Trotter, J.","Structures and Photochemistry of Inclusion Compounds of 9,10-Dihydro-9,10-ethenoanthracene-11,12-bis(diphenylphosphine Oxide)","Acta Crystallographica Section B","1997","53","2","293","299","10.1107/S0108768196013602","","","1.5418","CuKα","","0.0601","0.0386","","0.0426","0.0411","","","","2.372","2.564","2.564","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2101813","18.191","0.001","20.748","0.002","9.436","0.002","90","","90","","90","","3561.4","0.9","294","","294.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H38 O3 P2 -","- C43 H37 O3 P2 -","- C172 H148 O12 P8 -","4","1","FG0006","Fu, T. Y.; Liu, Z.; Olovsson, G.; Scheffer, J. R.; Trotter, J.","Structures and Photochemistry of Inclusion Compounds of 9,10-Dihydro-9,10-ethenoanthracene-11,12-bis(diphenylphosphine Oxide)","Acta Crystallographica Section B","1997","53","2","293","299","10.1107/S0108768196013602","","","1.5418","CuKα","","0.1244","0.0396","","0.079","0.039","","","","3.504","2.102","2.102","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2101814","18.076","0.002","20.904","0.002","9.432","0.006","90","","90","","90","","3564","2","294","","294.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H38 O3 P2 -","- C43 H37 O3 P2 -","- C172 H148 O12 P8 -","4","1","FG0006","Fu, T. Y.; Liu, Z.; Olovsson, G.; Scheffer, J. R.; Trotter, J.","Structures and Photochemistry of Inclusion Compounds of 9,10-Dihydro-9,10-ethenoanthracene-11,12-bis(diphenylphosphine Oxide)","Acta Crystallographica Section B","1997","53","2","293","299","10.1107/S0108768196013602","","","1.5418","CuKα","","0.101","0.0415","","0.045","0.0413","","","","1.739","2.066","2.066","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2101815","18.223","0.002","9.435","0.003","21.946","0.002","90","","103.43","0.007","90","","3670.1","1.3","294","","294.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 O4 P2 -","- C44 H38 O4 P2 -","- C176 H152 O16 P8 -","4","1","FG0006","Fu, T. Y.; Liu, Z.; Olovsson, G.; Scheffer, J. R.; Trotter, J.","Structures and Photochemistry of Inclusion Compounds of 9,10-Dihydro-9,10-ethenoanthracene-11,12-bis(diphenylphosphine Oxide)","Acta Crystallographica Section B","1997","53","2","293","299","10.1107/S0108768196013602","","","1.5418","CuKα","","0.12","0.049","","0.085","0.058","","","","","2.98","2.98","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2101816","10.21","0.001","21.152","0.003","16.462","0.001","90","","95.916","0.007","90","","3536.2","0.6","294","","294","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C45 H38 O3 -","- C45 H38 O3 -","- C180 H152 O12 -","4","1","FG0007","Fu, T. Y.; Scheffer, J. R.; Trotter, J.","Structures and Photochemistry of Inclusion Compounds of 9,10-Dihydro-9,10-ethenoanthracene-11,12-bis(diphenylmethanol)","Acta Crystallographica Section B","1997","53","2","300","305","10.1107/S0108768196013614","","","1.5418","CuKα","","","0.043","","","0.046","","","","","2.81","2.81","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2101817","13.623","0.003","15.96","0.005","15.95","0.002","90","","98.54","0.02","90","","3429.4","1.4","294","","294","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H38 O3 -","- C44 H38 O3 -","- C176 H152 O12 -","4","1","FG0007","Fu, T. Y.; Scheffer, J. R.; Trotter, J.","Structures and Photochemistry of Inclusion Compounds of 9,10-Dihydro-9,10-ethenoanthracene-11,12-bis(diphenylmethanol)","Acta Crystallographica Section B","1997","53","2","300","305","10.1107/S0108768196013614","","","1.5418","CuKα","","","0.056","","","0.06","","","","","3.8","3.8","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2101818","10.703","0.002","10.208","0.003","34.057","0.002","90","","98.604","0.008","90","","3679.1","1.3","294","","294","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C49 H40 O2 -","- C49 H40 O2 -","- C196 H160 O8 -","4","1","FG0007","Fu, T. Y.; Scheffer, J. R.; Trotter, J.","Structures and Photochemistry of Inclusion Compounds of 9,10-Dihydro-9,10-ethenoanthracene-11,12-bis(diphenylmethanol)","Acta Crystallographica Section B","1997","53","2","300","305","10.1107/S0108768196013614","","","1.5418","CuKα","","0.1465","0.0525","","0.0803","0.069","","","","1.584","2.1","2.1","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2101819","8.854","0.006","9.992","0.003","32.04","0.02","90","","97.34","0.03","90","","2811","3","291","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H45 N5 O4 S2 -","- C20 H44 N5 O4 S2 -","- C80 H176 N20 O16 S8 -","4","1","HR0032","Li, Q.; Mak, T. C. W.","Inclusion Compounds of Thiourea and Peralkylated Ammonium Salts. VI. Hydrogen-Bonded Host Lattices Constructed From Thiourea and Anions of Oxalic Acid and Fumaric Acid","Acta Crystallographica Section B","1997","53","2","252","261","10.1107/S0108768196012918","","","0.71073","MoKα","","","0.055","","","0.056","","","","","1.63","1.63","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101820","6.269","0.002","8.118","0.004","14.562","0.008","104.79","0.04","91.72","0.04","101.3","0.04","700.1","0.6","291","","","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H19 N3 O4 S -","- C9 H7 N3 O4 S -","- C18 H14 N6 O8 S2 -","2","1","HR0032","Li, Q.; Mak, T. C. W.","Inclusion Compounds of Thiourea and Peralkylated Ammonium Salts. VI. Hydrogen-Bonded Host Lattices Constructed From Thiourea and Anions of Oxalic Acid and Fumaric Acid","Acta Crystallographica Section B","1997","53","2","252","261","10.1107/S0108768196012918","","","0.71073","MoKα","","","0.078","","","0.089","","","","","1.41","1.41","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101821","11.34","0.002","9.293","0.006","14.619","0.002","90","","102.41","0.01","90","","1504.6","1","291","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H50 N6 O4 S2 -","- C22 H48 N6 O4 S2 -","- C44 H96 N12 O8 S4 -","2","0.5","HR0032","Li, Q.; Mak, T. C. W.","Inclusion Compounds of Thiourea and Peralkylated Ammonium Salts. VI. Hydrogen-Bonded Host Lattices Constructed From Thiourea and Anions of Oxalic Acid and Fumaric Acid","Acta Crystallographica Section B","1997","53","2","252","261","10.1107/S0108768196012918","","","0.71073","MoKα","","","0.05","","","0.057","","","","","1.11","1.11","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101822","16.866","0.004","8.311","0.001","17.603","0.002","90","","104.94","0.01","90","","2384.1","0.7","291","","","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C17 H39 N3 O6 S -","- C17 H39 N3 O6 S -","- C68 H156 N12 O24 S4 -","4","1","HR0032","Li, Q.; Mak, T. C. W.","Inclusion Compounds of Thiourea and Peralkylated Ammonium Salts. VI. Hydrogen-Bonded Host Lattices Constructed From Thiourea and Anions of Oxalic Acid and Fumaric Acid","Acta Crystallographica Section B","1997","53","2","252","261","10.1107/S0108768196012918","","","0.71073","MoKα","","","0.048","","","0.057","","","","","1.72","1.72","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101823","8.768","0.005","11.036","0.006","19.79","0.01","90","","96.92","0.04","90","","1901","1.8","291","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H28 Cl N5 Se2 -","- C10 H28 Cl N5 Se2 -","- C40 H112 Cl4 N20 Se8 -","4","1","HR0033","Li, Q.; Mak, T. C. W.","New Inclusion Compounds of Selenourea with Tetraethyl- and Tetra-<i>n</i>-propylammonium Halides","Acta Crystallographica Section B","1997","53","2","262","271","10.1107/S010876819601292X","","","0.71073","MoKα","","","0.055","","","0.055","","","","","1.33","1.33","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101824","18.091","0.004","13.719","0.003","11.539","0.002","90","","111.93","0.03","90","","2656.6","1.1","291","","","","","","","","","","","5","C 1 c 1","C -2yc","","","","","- C15 H40 Cl N7 Se3 -","- C15 H40 Cl N7 Se3 -","- C60 H160 Cl4 N28 Se12 -","4","1","HR0033","Li, Q.; Mak, T. C. W.","New Inclusion Compounds of Selenourea with Tetraethyl- and Tetra-<i>n</i>-propylammonium Halides","Acta Crystallographica Section B","1997","53","2","262","271","10.1107/S010876819601292X","","","0.71073","MoKα","","","0.051","","","0.051","","","","","1.66","1.66","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101825","18.309","0.004","13.807","0.003","11.577","0.002","90","","112.45","0.03","90","","2704.8","1.1","291","","","","","","","","","","","5","C 1 c 1","C -2yc","","","","","- C15 H40 Br N7 Se3 -","- C15 H40 Br N7 Se3 -","- C60 H160 Br4 N28 Se12 -","4","1","HR0033","Li, Q.; Mak, T. C. W.","New Inclusion Compounds of Selenourea with Tetraethyl- and Tetra-<i>n</i>-propylammonium Halides","Acta Crystallographica Section B","1997","53","2","262","271","10.1107/S010876819601292X","","","0.71073","MoKα","","","0.049","","","0.048","","","","","1.25","1.25","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101826","8.976","0.001","14.455","0.002","15.377","0.003","90","","94.16","0.01","90","","1989.9","0.5","291","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H32 I N3 Se -","- C13 H32 I N3 Se -","- C52 H128 I4 N12 Se4 -","4","1","HR0033","Li, Q.; Mak, T. C. W.","New Inclusion Compounds of Selenourea with Tetraethyl- and Tetra-<i>n</i>-propylammonium Halides","Acta Crystallographica Section B","1997","53","2","262","271","10.1107/S010876819601292X","","","0.71073","MoKα","","","0.062","","","0.066","","","","","1.5","1.5","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101827","9.155","0.002","32.074","0.003","7.35","0.001","90","","90.9","0.01","90","","2158","0.6","290","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H20 N O4 P -","- C7 H20 N O4 P -","- C56 H160 N8 O32 P8 -","8","2","SH0085","Fabry, Jan; Petricek, Vaclav; Kroupa, Jan; Cisarova, Ivana","Revision of Ferroelastic Structures of <i>n</i>-Heptyl- and <i>n</i>-Octylammonium Dihydrogen Phosphate Crystals","Acta Crystallographica Section B","1997","53","2","272","279","10.1107/S0108768196012426","","","0.71073","MoKα","","","0.039","","","0.0594","","","","1.53","1.66","1.66","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101828","9.163","0.001","34.677","0.004","7.361","0.007","90","","90.81","0.01","90","","2339","2","290","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H22 N O4 P -","- C8 H22 N O4 P -","- C64 H176 N8 O32 P8 -","8","2","SH0085","Fabry, Jan; Petricek, Vaclav; Kroupa, Jan; Cisarova, Ivana","Revision of Ferroelastic Structures of <i>n</i>-Heptyl- and <i>n</i>-Octylammonium Dihydrogen Phosphate Crystals","Acta Crystallographica Section B","1997","53","2","272","279","10.1107/S0108768196012426","","","0.71073","MoKα","","","0.0333","","","0.0478","","","","1.19","1.23","1.23","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101829","6.751","0.004","11.746","0.007","12.003","0.008","90","","90","","90","","951.8","1","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- H14 Ni O11 S -","- H14 Ni O11 S -","- H56 Ni4 O44 S4 -","4","1","AB0357","Ptasiewicz-Bak, H.; Olovsson, I.; McIntyre, G. J.","Charge Density in Orthorhombic NiSO~4~.7H~2~O at Room Temperature and 25 K","Acta Crystallographica Section B","1997","53","3","325","336","10.1107/S0108768196014061","","","0.71069","MoKα","","","0.0137","","","0.0327","","","","","2.162","2.162","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101830","6.706","0.003","11.796","0.006","11.949","0.006","90","","90","","90","","945","1","25","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- H14 Ni O11 S -","- H14 Ni O11 S -","- H56 Ni4 O44 S4 -","4","1","AB0357","Ptasiewicz-Bak, H.; Olovsson, I.; McIntyre, G. J.","Charge Density in Orthorhombic NiSO~4~.7H~2~O at Room Temperature and 25 K","Acta Crystallographica Section B","1997","53","3","325","336","10.1107/S0108768196014061","","neutron","1.215","neutron","","","0.034","","","0.046","","","","","1.68","1.68","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2101831","6.706","0.003","11.796","0.006","11.949","0.006","90","","90","","90","","945","1","25","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- H14 Ni O11 S -","- H14 Ni O11 S -","- H56 Ni4 O44 S4 -","4","1","AB0357","Ptasiewicz-Bak, H.; Olovsson, I.; McIntyre, G. J.","Charge Density in Orthorhombic NiSO~4~.7H~2~O at Room Temperature and 25 K","Acta Crystallographica Section B","1997","53","3","325","336","10.1107/S0108768196014061","","","0.71069","MoKα","","","0.0149","","","0.0338","","","","","1.458","1.458","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2101832","11.385","0.002","6.5565","0.0012","13.076","0.002","90","","96.24","0.011","90","","970.3","0.3","294","1","294","1","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","1,4-Diazabicyclo[2.2.2]octane- 4,4'-Isopropylidenediphenol (1/1)","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C42 H56 N4 O4 -","2","0.5","AB0360","Ferguson, George","Crystal Engineering Using Bisphenols. Chains, Ladders and Sheets Formed by the Adducts of 1,4-Diazabicyclo[2.2.2]octane with Bisphenols: Structures of Adducts with 4,4'-Isopropylidenediphenol (1/1), 4,4'-Oxodiphenol (1/1) and 4,4'-Thiodiphenol (1/1 and 2/1)","Acta Crystallographica Section B","1997","53","3","513","520","10.1107/S0108768196014036","","","0.7107","MolybdenumKα","","0.1786","0.0587","","0.1707","0.1389","","","","0.928","1.246","1.246","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2101833","9.4222","0.0011","11.1886","0.0015","15.694","0.002","90","","90","","90","","1654.5","0.4","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,4-Diazabicyclo[2.2.2]octane- 4,4'-Oxodiphenol (1/1)","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C72 H88 N8 O12 -","4","1","AB0360","Ferguson, George","Crystal Engineering Using Bisphenols. Chains, Ladders and Sheets Formed by the Adducts of 1,4-Diazabicyclo[2.2.2]octane with Bisphenols: Structures of Adducts with 4,4'-Isopropylidenediphenol (1/1), 4,4'-Oxodiphenol (1/1) and 4,4'-Thiodiphenol (1/1 and 2/1)","Acta Crystallographica Section B","1997","53","3","513","520","10.1107/S0108768196014036","","","0.7107","MolybdenumKα","","0.0981","0.0582","","0.134","0.1197","","","","0.951","1.181","1.181","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2101834","9.5785","0.0011","11.4525","0.0013","15.759","0.002","90","","90","","90","","1728.7","0.4","294","1","294","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,4-Diazabicyclo[2.2.2]octane- 4,4'-Thiodiphenol (1/1)","","- C18 H22 N2 O2 S -","- C18 H22 N2 O2 S -","- C72 H88 N8 O8 S4 -","4","1","AB0360","Ferguson, George","Crystal Engineering Using Bisphenols. Chains, Ladders and Sheets Formed by the Adducts of 1,4-Diazabicyclo[2.2.2]octane with Bisphenols: Structures of Adducts with 4,4'-Isopropylidenediphenol (1/1), 4,4'-Oxodiphenol (1/1) and 4,4'-Thiodiphenol (1/1 and 2/1)","Acta Crystallographica Section B","1997","53","3","513","520","10.1107/S0108768196014036","","","0.7107","MolybdenumKα","","0.1407","0.0724","","0.1762","0.1531","","","","0.973","1.262","1.262","","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2101835","8.3198","0.0009","11.4006","0.0013","15.056","0.002","90","","104.955","0.008","90","","1379.7","0.3","294","1","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,4-Diazabicyclo[2.2.2]octane- 4,4'-Thiodiphenol (2/1)","","- C30 H32 N2 O4 S2 -","- C30 H32 N2 O4 S2 -","- C60 H64 N4 O8 S4 -","2","0.5","AB0360","Ferguson, George","Crystal Engineering Using Bisphenols. Chains, Ladders and Sheets Formed by the Adducts of 1,4-Diazabicyclo[2.2.2]octane with Bisphenols: Structures of Adducts with 4,4'-Isopropylidenediphenol (1/1), 4,4'-Oxodiphenol (1/1) and 4,4'-Thiodiphenol (1/1 and 2/1)","Acta Crystallographica Section B","1997","53","3","513","520","10.1107/S0108768196014036","","","0.7107","MolybdenumKα","","0.1433","0.0638","","0.1526","0.1294","","","","0.939","1.173","1.173","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2101836","15.029","0.002","9.7954","0.0008","5.9817","0.0011","90","","90","","90","","880.6","0.2","294","1","294","1","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C18 H22 N4 O2 S -","- C18 H22 N4 O2 S -","- C36 H44 N8 O4 S2 -","2","0.5","AB0361","Ferguson, George","Crystal Engineering Using Bisphenols and Trisphenols. Complexes with Hexamethylenetetramine (HMTA): Strings, Multiple Helices and Chains-of-Rings in the Crystal Structures of the Adducts of HTMA with 4,4'-Thiodiphenol (1/1), 4,4'-Sulfonyldiphenol (1/1), 4,4'-Isopropylidenediphenol (1/1), 1,1,1-Tris(4-hydroxyphenyl)ethane (1/2) and 1,3,5-Trihydroxybenzene (2/3)","Acta Crystallographica Section B","1997","53","3","521","533","10.1107/S0108768196014048","","","0.7107","MolybdenumKα","","0.054","0.0323","","0.0863","0.0819","","","","1.1","1.234","1.234","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2101837","14.779","0.002","10.2558","0.0015","5.9817","0.0008","90","","90","","90","","906.6","0.2","294","1","294","1","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C18 H22 N4 O4 S -","- C18 H22 N4 O4 S -","- C36 H44 N8 O8 S2 -","2","0.5","AB0361","Ferguson, George","Crystal Engineering Using Bisphenols and Trisphenols. Complexes with Hexamethylenetetramine (HMTA): Strings, Multiple Helices and Chains-of-Rings in the Crystal Structures of the Adducts of HTMA with 4,4'-Thiodiphenol (1/1), 4,4'-Sulfonyldiphenol (1/1), 4,4'-Isopropylidenediphenol (1/1), 1,1,1-Tris(4-hydroxyphenyl)ethane (1/2) and 1,3,5-Trihydroxybenzene (2/3)","Acta Crystallographica Section B","1997","53","3","521","533","10.1107/S0108768196014048","","","0.7107","MolybdenumKα","","0.0682","0.0421","","0.0947","0.0885","","","","1.034","1.156","1.156","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2101838","25.093","0.006","7.1742","0.0013","23.612","0.007","90","","110.42","0.02","90","","3983.6","1.8","294","1","294","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H28 N4 O2 -","- C21 H28 N4 O2 -","- C168 H224 N32 O16 -","8","1","AB0361","Ferguson, George","Crystal Engineering Using Bisphenols and Trisphenols. Complexes with Hexamethylenetetramine (HMTA): Strings, Multiple Helices and Chains-of-Rings in the Crystal Structures of the Adducts of HTMA with 4,4'-Thiodiphenol (1/1), 4,4'-Sulfonyldiphenol (1/1), 4,4'-Isopropylidenediphenol (1/1), 1,1,1-Tris(4-hydroxyphenyl)ethane (1/2) and 1,3,5-Trihydroxybenzene (2/3)","Acta Crystallographica Section B","1997","53","3","521","533","10.1107/S0108768196014048","","","0.7107","MolybdenumKα","","0.1461","0.0401","","0.1027","0.085","","","","0.913","1.203","1.203","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2101839","6.9928","0.001","14.0949","0.0015","30.999","0.004","90","","90","","90","","3055.3","0.7","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H42 N8 O3 -","- C32 H42 N8 O3 -","- C128 H168 N32 O12 -","4","1","AB0361","Ferguson, George","Crystal Engineering Using Bisphenols and Trisphenols. Complexes with Hexamethylenetetramine (HMTA): Strings, Multiple Helices and Chains-of-Rings in the Crystal Structures of the Adducts of HTMA with 4,4'-Thiodiphenol (1/1), 4,4'-Sulfonyldiphenol (1/1), 4,4'-Isopropylidenediphenol (1/1), 1,1,1-Tris(4-hydroxyphenyl)ethane (1/2) and 1,3,5-Trihydroxybenzene (2/3)","Acta Crystallographica Section B","1997","53","3","521","533","10.1107/S0108768196014048","","","0.7107","MolybdenumKα","","0.149","0.0636","","0.1022","0.0841","","","","0.938","1.248","1.248","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101840","23.598","0.002","7.136","0.002","19.445","0.003","90","","96.822","0.011","90","","3251.3","1.1","294","1","294","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H24 N6 O3 -","- C15 H24 N6 O3 -","- C120 H192 N48 O24 -","8","1","AB0361","Ferguson, George","Crystal Engineering Using Bisphenols and Trisphenols. Complexes with Hexamethylenetetramine (HMTA): Strings, Multiple Helices and Chains-of-Rings in the Crystal Structures of the Adducts of HTMA with 4,4'-Thiodiphenol (1/1), 4,4'-Sulfonyldiphenol (1/1), 4,4'-Isopropylidenediphenol (1/1), 1,1,1-Tris(4-hydroxyphenyl)ethane (1/2) and 1,3,5-Trihydroxybenzene (2/3)","Acta Crystallographica Section B","1997","53","3","521","533","10.1107/S0108768196014048","","","0.7107","MolybdenumKα","","0.1774","0.0628","","0.1392","0.1138","","","","0.923","1.198","1.198","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101841","7.9781","0.001","18.558","0.003","11.1995","0.0013","90","","101.668","0.009","90","","1623.9","0.4","294","1","294","1","","","","","","","","3","I 1 a 1","I -2ya","9","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C80 H72 O12 -","4","1","AB0362","Ferguson, George","Crystal Engineering Using Trisphenols. Three-Dimensional Hydrogen-Bonding Networks in 1,1,1-Tris(4-hydroxyphenyl)ethane, its Hydrated Adduct with 1,4-Diazabicyclo[2.2.2]octane (1/1/1) and its Adduct with Piperazine (4/3)","Acta Crystallographica Section B","1997","53","3","534","543","10.1107/S010876819601405X","","","0.7107","MolybdenumKα","","0.0951","0.0447","","0.0917","0.08","","","","0.968","1.136","1.136","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2101842","10.421","0.002","10.734","0.002","10.9756","0.0013","76.645","0.012","74.513","0.011","89.305","0.013","1149.5","0.3","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H32 N2 O4 -","- C26 H32 N2 O4 -","- C52 H64 N4 O8 -","2","1","AB0362","Ferguson, George","Crystal Engineering Using Trisphenols. Three-Dimensional Hydrogen-Bonding Networks in 1,1,1-Tris(4-hydroxyphenyl)ethane, its Hydrated Adduct with 1,4-Diazabicyclo[2.2.2]octane (1/1/1) and its Adduct with Piperazine (4/3)","Acta Crystallographica Section B","1997","53","3","534","543","10.1107/S010876819601405X","","","0.7107","MolybdenumKα","","0.1592","0.0629","","0.1618","0.1378","","","","0.932","1.24","1.24","","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2101843","12.5049","0.0011","12.7046","0.001","14.6226","0.0009","113.738","0.006","100.839","0.006","102.438","0.007","1976.1","0.3","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","","","- C92 H102 N6 O12 -","- C92 H102 N6 O12 -","- C92 H102 N6 O12 -","1","0.5","AB0362","Ferguson, George","Crystal Engineering Using Trisphenols. Three-Dimensional Hydrogen-Bonding Networks in 1,1,1-Tris(4-hydroxyphenyl)ethane, its Hydrated Adduct with 1,4-Diazabicyclo[2.2.2]octane (1/1/1) and its Adduct with Piperazine (4/3)","Acta Crystallographica Section B","1997","53","3","534","543","10.1107/S010876819601405X","","","0.7107","MolybdenumKα","","0.2061","0.0542","","0.1311","0.1038","","","","0.866","1.235","1.235","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101844","21.9114","0.0004","7.6003","0.0005","5.5247","0.0005","90","","90","","90","","920.05","0.1","293","2","293","2","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- Mn8 Sn5 -","- Mn8 Sn5 -","- Mn32 Sn20 -","4","0.5","AB0366","Ponten, Margareta Elding; Stenberg, Lars; Lidin, Sven; Madariaga, Gotzon; Perez-Mato, Juan-Manuel","Structure of Mn~8~Sn~5~","Acta Crystallographica Section B","1997","53","3","364","372","10.1107/S0108768197000682","","","0.70926","MoKα","","0.046","0.046","","0.121","0.121","","","","1.63","1.63","1.63","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101845","5.148","0.003","5.148","0.003","13.863","0.003","90","0.01","90","0.01","120","0.013","318.2","0.3","293","","293","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","lithium_niobate","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","AS0700","Hsu, R.; Maslen, E. N.; du Boulay, D.; Ishizawa, N.","Synchrotron X-ray Studies of LiNbO~3~ and LiTaO~3~","Acta Crystallographica Section B","1997","53","3","420","428","10.1107/S010876819600777X","","","0.7","xray_wiggler","","0.015","0.015","","0.015","0.015","","","","3.276","3.276","3.276","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"2101846","5.154","0.003","5.154","0.003","13.783","0.003","90","0.01","90","0.01","120","0.013","317.1","0.3","293","","293","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","lithium_tantalate","","- Li O3 Ta -","- Li O3 Ta -","- Li6 O18 Ta6 -","6","0.333333","AS0700","Hsu, R.; Maslen, E. N.; du Boulay, D.; Ishizawa, N.","Synchrotron X-ray Studies of LiNbO~3~ and LiTaO~3~","Acta Crystallographica Section B","1997","53","3","420","428","10.1107/S010876819600777X","","","0.7","xray_wiggler","","0.016","0.016","","0.022","0.022","","","","1.372","1.372","1.372","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101847","11.892","0.002","8.131","0.001","13.038","0.002","90","","115.79","0.01","90","","1135.1","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Biguanidinium bis-dinitramide","","","- C2 H9 N11 O8 -","- C2 H9 N11 O8 -","- C8 H36 N44 O32 -","4","0.5","BK0035","Pinkerton, A. Alan","Energetic Materials: The Preparation and Structural Characterization of Three Biguanidinium Dinitramides","Acta Crystallographica Section B","1997","53","3","504","512","10.1107/S0108768196013183","","","1.54178","CuKα","","0.0542","0.0533","","0.1379","0.136","","","","1.128","1.137","1.137","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2101848","4.3686","0.0004","9.404","0.002","10.742","0.001","83.54","0.01","80.386","0.009","79.93","0.01","426.82","0.11","294","1","294","","","","","","","","","4","P -1","-P 1","2","","","","- C2 H8 N8 O4 -","- C2 H8 N8 O4 -","- C4 H16 N16 O8 -","2","1","BK0035","Pinkerton, A. Alan","Energetic Materials: The Preparation and Structural Characterization of Three Biguanidinium Dinitramides","Acta Crystallographica Section B","1997","53","3","504","512","10.1107/S0108768196013183","","","0.71073","MoKα","","0.068","0.041","","","0.038","","","","","2.231","2.231","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101849","6.4201","0.0006","13.408","0.001","14.584","0.002","90","0.009","90","0.01","90","0.008","1255.4","0.2","294","1","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C2 H11 N11 O9 -","- C2 H11 N11 O9 -","- C8 H44 N44 O36 -","4","1","BK0035","Pinkerton, A. Alan","Energetic Materials: The Preparation and Structural Characterization of Three Biguanidinium Dinitramides","Acta Crystallographica Section B","1997","53","3","504","512","10.1107/S0108768196013183","","","0.71073","MoKα","","0.087","0.04","","","0.032","","","","","2.565","2.565","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101850","54.06","0.01","11.468","0.001","7.4387","0.0008","90","","90","","90","","4611.7","1.1","294","","","","","","","","","","","4","C 1 1 21/d","","","","","","- C12 H10 Pb S2 -","","","16","","BR0034","Rae, A. D.; Craig, D. C.; Dance, I. G.; Scudder, M. L.; Dean, P. A. W.; Kmetic, M. A.; Payne, N. C.; Vittal, J. J.","The Pseudo-Symmetric Structure of Pb(SPh)~2~","Acta Crystallographica Section B","1997","53","3","457","465","10.1107/S0108768196015819","","","0.71073","MoKα","","","0.057","","","0.078","","","","","2.56","2.56","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101851","4.40656","0.00005","4.40656","0.00005","2.86186","0.00003","90","","90","","90","","55.5709","0.0011","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","","","","","- Ge O2 -","- Ge O2 -","- Ge2 O4 -","2","0.125","BR0044","Bolzan, A. A.; Fong, C.; Kennedy, B. J.; Howard, C. J.","Structural Studies of Rutile-Type Metal Dioxides","Acta Crystallographica Section B","1997","53","3","373","380","10.1107/S0108768197001468","","neutron","1.372","neutron","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101853","4.73735","0.00009","4.73735","0.00009","3.1864","0.00007","90","","90","","90","","71.511","0.002","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","","","","","- O2 Sn -","- O2 Sn -","- O4 Sn2 -","2","0.125","BR0044","Bolzan, A. A.; Fong, C.; Kennedy, B. J.; Howard, C. J.","Structural Studies of Rutile-Type Metal Dioxides","Acta Crystallographica Section B","1997","53","3","373","380","10.1107/S0108768197001468","","neutron","1.377","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101854","4.5051","0.0003","4.5051","0.0003","3.1586","0.0002","90","","90","","90","","64.107","0.007","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","","","","","- Ir O2 -","- Ir O2 -","- Ir2 O4 -","2","0.125","BR0044","Bolzan, A. A.; Fong, C.; Kennedy, B. J.; Howard, C. J.","Structural Studies of Rutile-Type Metal Dioxides","Acta Crystallographica Section B","1997","53","3","373","380","10.1107/S0108768197001468","","neutron","1.372","neutron","","","","","","","","","","","","","","","","","has coordinates","287549","2023-11-11","17:11:55",""
"2101855","7.454","0.001","7.454","0.001","12.885","0.002","90","","90","","90","","716","","293","2","293","2","","","","","","","","4","P 43 21 2","P 41n 2abw","","magnesium hydroxide sulfate","magnesium hydroxide sulfate","","- H2 Mg3 O10 S2 -","- H2 Mg3 O10 S2 -","- H8 Mg12 O40 S8 -","4","0.5","BR0053","Fleet, Michael E.; Knipe, Stephen W.","Structure of Magnesium Hydroxide Sulfate [2MgSO~4~.Mg(OH)~2~], and Solid Solution in Magnesium Hydroxide Sulfate Hydrate and Caminite","Acta Crystallographica, Section B","1997","53","3","358","363","10.1107/S0108768197000104","","","0.70926","MoKα","","0.1352","0.0245","","0.0227","0.0227","","","","1.16","1.1604","1.1604","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101856","10.338","0.002","8.687","0.002","10.756","0.002","90","","95.05","0.01","90","","962.2","0.3","290","","290","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","nitropentaammine Co(III) chloride","","- Cl2 Co H15 N6 O2 -","- Cl2 Co H15 N6 O2 -","- Cl8 Co4 H60 N24 O8 -","4","0.5","HR0034","Boldyreva, E.; Kivikoski, J.; Howard, J. A. K.","Distortion of Crystal Structures of Some Co^III^ Ammine Complexes. II. Distortion of Crystal Structures of [Co(NH~3~)~5~NO~2~]<i>X</i>~2~ (<i>X</i> = Cl, Br) on Cooling","Acta Crystallographica Section B","1997","53","3","405","414","10.1107/S0108768196014863","","","0.71073","MoKα","","0.0208","0.0175","","0.0479","0.0464","","","","0.984","0.994","0.994","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101857","10.215","0.003","8.697","0.004","10.748","0.003","90","","95.41","0.02","90","","950.6","0.6","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","nitropentaammine Co(III) chloride","","- Cl2 Co H15 N6 O2 -","- Cl2 Co H15 N6 O2 -","- Cl8 Co4 H60 N24 O8 -","4","0.5","HR0034","Boldyreva, E.; Kivikoski, J.; Howard, J. A. K.","Distortion of Crystal Structures of Some Co^III^ Ammine Complexes. II. Distortion of Crystal Structures of [Co(NH~3~)~5~NO~2~]<i>X</i>~2~ (<i>X</i> = Cl, Br) on Cooling","Acta Crystallographica Section B","1997","53","3","405","414","10.1107/S0108768196014863","","","0.71073","MoKα","","0.0174","0.0152","","0.0379","0.0372","","","","1.106","1.124","1.124","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101858","10.68","0.003","8.838","0.004","10.99","0.003","90","","94.7","0.02","90","","1033.9","0.6","290","","290","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","nitropentaammine Co(III) bromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","HR0034","Boldyreva, E.; Kivikoski, J.; Howard, J. A. K.","Distortion of Crystal Structures of Some Co^III^ Ammine Complexes. II. Distortion of Crystal Structures of [Co(NH~3~)~5~NO~2~]<i>X</i>~2~ (<i>X</i> = Cl, Br) on Cooling","Acta Crystallographica Section B","1997","53","3","405","414","10.1107/S0108768196014863","","","0.71073","MoKα","","0.0395","0.0214","","0.0522","0.049","","","","1.036","1.104","1.104","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101859","10.575","0.002","8.815","0.005","10.97","0.002","90","","94.97","0.02","90","","1018.8","0.6","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","nitropentaammine Co(III) bromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","HR0034","Boldyreva, E.; Kivikoski, J.; Howard, J. A. K.","Distortion of Crystal Structures of Some Co^III^ Ammine Complexes. II. Distortion of Crystal Structures of [Co(NH~3~)~5~NO~2~]<i>X</i>~2~ (<i>X</i> = Cl, Br) on Cooling","Acta Crystallographica Section B","1997","53","3","405","414","10.1107/S0108768196014863","","","0.71073","MoKα","","0.0294","0.0188","","0.0485","0.0465","","","","1.1","1.156","1.156","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101860","5.7444","0.0003","17.314","0.0008","4.6903","0.0004","90","","106.77","0.01","90","","446.65","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","D-galactonic acid hydrazide","","- C6 H14 N2 O6 -","- C6 H14 N2 O6 -","- C12 H28 N4 O12 -","2","1","KA0031","André, C.; Luger, P.; Fuhrhop, J.-H.; Hahn, F.","Hydrogen-Bonding Schemes of Galactonic Acid Hydrazide and its Hemihydrate","Acta Crystallographica Section B","1997","53","3","490","497","10.1107/S0108768196012906","","","1.5418","CuKα","","0.0225","0.0214","","0.0596","0.0558","","","","1.118","1.092","1.092","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2101861","4.78","0.001","13.603","0.002","14.822","0.003","90","","98.83","0.01","90","","952.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-galactonic acid hydrazide hemihydrate","","- C12 H30 N4 O13 -","- C12 H30 N4 O13 -","- C24 H60 N8 O26 -","2","1","KA0031","André, C.; Luger, P.; Fuhrhop, J.-H.; Hahn, F.","Hydrogen-Bonding Schemes of Galactonic Acid Hydrazide and its Hemihydrate","Acta Crystallographica Section B","1997","53","3","490","497","10.1107/S0108768196012906","","","0.71069","MoKα","","0.0736","0.0441","","0.0981","0.0802","","","","1.123","1.075","1.075","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2101862","7.409","0.001","17.549","0.003","6.332","0.001","90","","90","","90","","823.3","0.2","","","","","","","","","","","","4","P n a b","-P 2bc 2n","60","","","","- C5 H8 N4 O5 -","- C5 H8 N4 O5 -","- C20 H32 N16 O20 -","4","0.5","NA0077","Artioli, G.; Masciocchi, N.; Galli, E.","The Elusive Crystal Structure of Uric Acid Dihydrate: Implication for Epitaxial Growth During Biomineralization","Acta Crystallographica Section B","1997","53","3","498","503","10.1107/S0108768196013067","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101863","10.214","0.003","18.208","0.007","9.985","0.002","96.44","0.03","107.92","0.02","81.79","0.03","1744.2","0.9","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 Cl2 Co N8 -","- C38 H30 Cl2 Co N8 -","- C76 H60 Cl4 Co2 N16 -","2","1","OA0004","Kawamura, Y.; Yamauchi, J.; Azuma, N.","Molecular and Crystal Structure of the Complex Composed of 2,3,5-Triphenyltetrazolium Cation and Dichloro-(1,3,5-triphenylformazanato)cobaltate(II) Anion","Acta Crystallographica Section B","1997","53","3","451","456","10.1107/S0108768196015960","","","0.71069","MoKα","","","0.041","","","0.04","","","","","1.4","1.4","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101864","10.3293","0.0006","10.3293","0.0006","10.3293","0.0006","90","","90","","90","","1102.08","0.11","295","","","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Cu12 S13 Sb4 -","- Cu12 S13 Sb4 -","- Cu24 S26 Sb8 -","2","0.0416667","SE0205","Pfitzner, A.; Evain, M.; Petricek, V.","Cu~12~Sb~4~S~13~: A Temperature-Dependent Structure Investigation","Acta Crystallographica Section B","1997","53","3","337","345","10.1107/S0108768196014024","","","0.56087","AgK-L~2,3~","","","0.0165","","","0.02","","","","","1.11","1.11","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101865","10.3678","0.0007","10.3678","0.0007","10.3678","0.0007","90","","90","","90","","1114.45","0.13","573","","","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Cu12 S13 Sb4 -","- Cu12 S13 Sb4 -","- Cu24 S26 Sb8 -","2","0.0416667","SE0205","Pfitzner, A.; Evain, M.; Petricek, V.","Cu~12~Sb~4~S~13~: A Temperature-Dependent Structure Investigation","Acta Crystallographica Section B","1997","53","3","337","345","10.1107/S0108768196014024","","","0.56087","AgK-L~2,3~","","","0.0248","","","0.0292","","","","","1.47","1.47","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101866","5.59","0.0006","5.59","0.0006","22.656","0.003","90","","90","","120","","613.11","0.12","30","","298","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Al11 Li0.75 Na0.47 O17.11 -","- Al17 Li5 Na6 O22 -","- Al34 Li10 Na12 O44 -","2","0.0833333","AB0365","Edström, Kristina; Gustafsson Torbjörn; Thomas, John, O.","Li^+^/Na^+^ β-Alumina: A Combined Single-Crystal Neutron and X-ray Diffraction Study","Acta Crystallographica Section B","1997","53","4","631","638","10.1107/S0108768197006629","","","0.71073","MoKα","","0","0.0363","","0","0.0801","","","","","2.25","2.25","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101867","5.5929","0.0006","5.5929","0.0006","22.652","0.003","90","","90","","120","","613.64","0.12","298","","298","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Al11 Li0.75 Na0.47 O17.11 -","- Al17 Li7 Na6 O22 -","- Al34 Li14 Na12 O44 -","2","0.0833333","AB0365","Edström, Kristina; Gustafsson Torbjörn; Thomas, John, O.","Li^+^/Na^+^ β-Alumina: A Combined Single-Crystal Neutron and X-ray Diffraction Study","Acta Crystallographica Section B","1997","53","4","631","638","10.1107/S0108768197006629","","","0.71073","MoKα","","0","0.0333","","0","0.079","","","","","2.06","2.06","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101868","2.878","0.007","2.878","0.007","14.9119","0.0004","90","","90","","120","","107","0.4","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","","","","","- Li2 Mo O3 -","- Li1.99995 Mo1.00005 O3 -","- Li3.9999 Mo2.0001 O6 -","2","0.0555556","AB0367","Hibble, S. J.; Fawcett, I. D.; Hannon, A. C.","Structure of Two Disordered Molybdates, Li~2~Mo^IV^O~3~ and Li~4~Mo~3~^IV^O~8~, from Total Neutron Scattering","Acta Crystallographica Section B","1997","53","4","604","612","10.1107/S0108768197003844","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101869","2.8688","0.0005","2.8688","0.0005","15.3843","0.0004","90","","90","","120","","109.65","0.03","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","","","","","- Li4 Mo3 O8 -","- Li3 Mo2.25 O6 -","- Li3 Mo2.25 O6 -","","","AB0367","Hibble, S. J.; Fawcett, I. D.; Hannon, A. C.","Structure of Two Disordered Molybdates, Li~2~Mo^IV^O~3~ and Li~4~Mo~3~^IV^O~8~, from Total Neutron Scattering","Acta Crystallographica Section B","1997","53","4","604","612","10.1107/S0108768197003844","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101870","5.738","","5.738","","30.768","","90","","90","","120","","877.306","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","","","","","- Li4 Mo3 O8 -","- Li3.3333 Mo3 O8 -","- Li19.9998 Mo18 O48 -","6","0.166667","AB0367","Hibble, S. J.; Fawcett, I. D.; Hannon, A. C.","Structure of Two Disordered Molybdates, Li~2~Mo^IV^O~3~ and Li~4~Mo~3~^IV^O~8~, from Total Neutron Scattering","Acta Crystallographica Section B","1997","53","4","604","612","10.1107/S0108768197003844","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101871","5.755","","5.755","","29.824","","90","","90","","120","","855.435","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","","","","","- Li2 Mo O3 -","- Li1.99995 Mo1.00001 O3 -","- Li31.9992 Mo16.0002 O48 -","16","0.444444","AB0367","Hibble, S. J.; Fawcett, I. D.; Hannon, A. C.","Structure of Two Disordered Molybdates, Li~2~Mo^IV^O~3~ and Li~4~Mo~3~^IV^O~8~, from Total Neutron Scattering","Acta Crystallographica Section B","1997","53","4","604","612","10.1107/S0108768197003844","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101872","21.4","0.002","6.2777","0.0006","17.853","0.002","90","","109.304","0.008","90","","2263.6","0.4","122","1","122","1","","","","","","","","4","C 1 2 1","C 2y","5","","cinchonidinium (S)-mandelate","","- C27 H30 N2 O4 -","- C27 H30 N2 O4 -","- C108 H120 N8 O16 -","4","1","AB0369","Gjerløv, A.; Larsen, S.","A Study of Diastereomeric Mandelate Salts of Cinchonidine and the Relation to Their Quasidiastereomeric Analogues","Acta Crystallographica Section B","1997","53","4","708","718","10.1107/S0108768197003480","","","1.54184","CuKα","","0.0261","0.0259","","0.0723","0.0721","","","","0.944","0.946","0.946","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101873","6.41","0.003","32.808","0.011","11.222","0.002","90","","100.67","0.02","90","","2319.2","1.4","122","1","122","1","","","","","","","","4","P 1 21 1","P 2yb","4","","cinchonidinium (R)-mandelate","","- C27 H30 N2 O4 -","- C27 H30 N2 O4 -","- C108 H120 N8 O16 -","4","2","AB0369","Gjerløv, A.; Larsen, S.","A Study of Diastereomeric Mandelate Salts of Cinchonidine and the Relation to Their Quasidiastereomeric Analogues","Acta Crystallographica Section B","1997","53","4","708","718","10.1107/S0108768197003480","","","1.54184","CuKα","","0.0389","0.038","","0.1007","0.0991","","","","1.029","1.027","1.027","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101874","7.715","0.002","11.136","0.002","11.707","0.002","90","","105.63","0.03","90","","968.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,3,5,5-tetramethylglutarimide","3,3,5,5-tetramethylazacyclohexane-2,6-dione","","- C9 H15 N O2 -","- C9 H15 N O2 -","- C36 H60 N4 O8 -","4","1","AB0372","Maurin, Jan K.; Czarnocki, Zbigniew; Paluchowska, Beata; Winnicka-Maurin, Małgorzata","Conformation-Related Reaction Efficiency of Glutarimides with Phenyllithium. Structures of 3,3,5,5-Tetramethylglutarimide and 2-Hydroxy-2-phenyl-3,3,5,5-tetramethyl-6-piperidone. X-ray and Theoretical Study","Acta Crystallographica Section B","1997","53","4","719","725","10.1107/S0108768197004874","","","1.54178","CuKα","","0.09","0.0549","","0.2158","0.1855","","","","1.115","1.272","1.272","","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2101875","6.1685","0.0006","11.1475","0.001","11.526","0.002","117.1","0.01","103.39","0.01","91.288","0.007","678.84","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-hydroxy-2-phenyl-3,3,5,5-tetramethyl-6-piperidone","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C30 H42 N2 O4 -","2","1","AB0372","Maurin, Jan K.; Czarnocki, Zbigniew; Paluchowska, Beata; Winnicka-Maurin, Małgorzata","Conformation-Related Reaction Efficiency of Glutarimides with Phenyllithium. Structures of 3,3,5,5-Tetramethylglutarimide and 2-Hydroxy-2-phenyl-3,3,5,5-tetramethyl-6-piperidone. X-ray and Theoretical Study","Acta Crystallographica Section B","1997","53","4","719","725","10.1107/S0108768197004874","","","1.54178","CuKα","","0.0547","0.041","","0.125","0.1154","","","","1.005","1.057","1.057","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101876","8.09","0.0008","3.8472","0.0004","14.883","0.002","90","","91.73","0.01","90","","463.01","0.09","294","1","294","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Pentachlorotolune","","- C7 H3 Cl5 -","- C7 Cl5 -","- C14 Cl10 -","2","0.5","CR0519","Brock, C. P.; Fu, Y.","Pentachlorotoluene: Rotational and Compositional Disorder","Acta Crystallographica Section B","1997","53","4","613","619","10.1107/S0108768197004102","","","0.71073","MoKα","","0.1512","0.052","","0.1611","0.1454","","","","1.175","1.404","1.404","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101877","8.102","0.002","3.857","0.001","14.913","0.003","90","","91.78","0.03","90","","465.8","0.19","294","1","294","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Pentachlorotoluene","","- C7 H3 Cl5 -","- C7 Cl5 -","- C14 Cl10 -","2","0.5","CR0519","Brock, C. P.; Fu, Y.","Pentachlorotoluene: Rotational and Compositional Disorder","Acta Crystallographica Section B","1997","53","4","613","619","10.1107/S0108768197004102","","","0.71073","MoKα","","0.0757","0.0387","","0.1268","0.1158","","","","1.127","1.208","1.208","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101878","7.7959","0.0004","7.7959","0.0004","5.3033","0.0003","90","","90","","120","","279.13","0.03","293","2","293","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","Zinc perchlorate hexahydrate","","- Cl2 H12 O14 Zn -","- Cl2 H12 O14 Zn -","- Cl2 H12 O14 Zn -","1","0.0833333","LI0238","Soma Ghosh; Monika Mukherjee; Alpana Seal; Siddhartha Ray","X-ray Study of <i>M</i>^II^(ClO~4~)~2~.6H~2~O (<i>M</i>^II^ = Zn, Ni): Twinning, Disorder and Phase Transitions","Acta Crystallographica Section B","1997","53","4","639","644","10.1107/S010876819700195X","","","0.71073","MoKα","","0.0383","0.038","","0.1071","0.1065","","","","1.211","1.212","1.212","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101879","6.8576","0.0003","6.8831","0.0005","19.988","0.002","90","","90","","90","","943.5","0.1","","","218","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 O -","- C10 H14 O -","- C40 H56 O4 -","4","1","NA0078","Sañé, J.; Ruis, J.; Calvet, T.; Cuevas-Diarte, M. A.","Chiral Molecular Alloys: Patterson-Search Structure Determination of <small>L</small>-Carvone and <small>DL</small>-Carvone from X-ray Powder Diffraction Data at 218 K","Acta Crystallographica Section B","1997","53","4","702","707","10.1107/S0108768197002905","","","1.54051","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","208463","2020-10-21","18:00:00",""
"2101880","6.9744","0.0003","6.8094","0.0006","20.038","0.007","90","","90","","90","","951.6","0.3","","","","","","","","","","","","3","P c m n","-P 2n 2ac","62","","","","- C10 H14 O -","- C10 O -","- C40 O4 -","4","0.5","NA0078","Sañé, J.; Ruis, J.; Calvet, T.; Cuevas-Diarte, M. A.","Chiral Molecular Alloys: Patterson-Search Structure Determination of <small>L</small>-Carvone and <small>DL</small>-Carvone from X-ray Powder Diffraction Data at 218 K","Acta Crystallographica Section B","1997","53","4","702","707","10.1107/S0108768197002905","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","206176","2020-10-21","18:00:00",""
"2101881","10.014","0.005","10.383","0.007","18.845","0.007","90","","92.99","0.04","90","","1956.7","1.8","300","","299","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis(μ-benzoylformato-O,O')-bis(pyridine) dicopper(II)","","- C42 H30 Cu2 N2 O12 -","- C42 H30 Cu2 N2 O12 -","- C84 H60 Cu4 N4 O24 -","2","0.5","OA0006","Harada, A.; Tsuchimoto, M.; Ohba, S.; Iwasawa, K.; Tokii, T.","Structures and Magnetic Properties of Dimeric Copper(II) Benzoylformates","Acta Crystallographica Section B","1997","53","4","654","661","10.1107/S0108768197006435","","","0.71073","MoKα","","","0.0621","","","0.0581","","","","","1.48","1.48","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101882","9.641","0.002","19.695","0.002","10.976","0.002","90","","96.89","0.02","90","","2069.1","0.6","300","","299","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tetrakis(μ-benzoylformato-O,O')-bis(2-picoline)dicopper(II)","","- C44 H34 Cu2 N2 O12 -","- C44 H34 Cu2 N2 O12 -","- C88 H68 Cu4 N4 O24 -","2","0.5","OA0006","Harada, A.; Tsuchimoto, M.; Ohba, S.; Iwasawa, K.; Tokii, T.","Structures and Magnetic Properties of Dimeric Copper(II) Benzoylformates","Acta Crystallographica Section B","1997","53","4","654","661","10.1107/S0108768197006435","","","0.71073","MoKα","","","0.0525","","","0.0461","","","","","1.3","1.3","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101883","21.267","0.004","10.568","0.003","21.45","0.003","90","","104.83","0.01","90","","4660.3","1.7","298","","299","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ-benzoylformato-O,O')-bis(3-picoline)dicopper(II) monobenzene solvate","","- C50 H40 Cu2 N2 O12 -","- C50 H40 Cu2 N2 O12 -","- C200 H160 Cu8 N8 O48 -","4","1","OA0006","Harada, A.; Tsuchimoto, M.; Ohba, S.; Iwasawa, K.; Tokii, T.","Structures and Magnetic Properties of Dimeric Copper(II) Benzoylformates","Acta Crystallographica Section B","1997","53","4","654","661","10.1107/S0108768197006435","","","0.71073","MoKα","","","0.0491","","","0.0446","","","","","1.45","1.45","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101884","19.083","0.005","12.156","0.004","21.692","0.003","90","","124.26","0.02","90","","4159","2","298","","299","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetralis(μ-benzoylformato-O,O')-bis(4-picoline)dicopper(II)","","- C44 H34 Cu2 N2 O12 -","- C44 H34 Cu2 N2 O12 -","- C176 H136 Cu8 N8 O48 -","4","0.5","OA0006","Harada, A.; Tsuchimoto, M.; Ohba, S.; Iwasawa, K.; Tokii, T.","Structures and Magnetic Properties of Dimeric Copper(II) Benzoylformates","Acta Crystallographica Section B","1997","53","4","654","661","10.1107/S0108768197006435","","","0.71073","MoKα","","","0.0695","","","0.0528","","","","","1.6","1.6","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101885","14.332","0.001","10.855","0.001","17.719","0.001","90","","91","0.01","90","","2756.2","0.4","300","","299","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(2,3-dimethylpyridinium) tetrakis(μ-benzoylformato-O,O')-bis(chloride) dicopper(II) dibenzene solvate","","- C58 H52 Cl2 Cu2 N2 O12 -","- C58 H52 Cl2 Cu2 N2 O12 -","- C116 H104 Cl4 Cu4 N4 O24 -","2","0.5","OA0006","Harada, A.; Tsuchimoto, M.; Ohba, S.; Iwasawa, K.; Tokii, T.","Structures and Magnetic Properties of Dimeric Copper(II) Benzoylformates","Acta Crystallographica Section B","1997","53","4","654","661","10.1107/S0108768197006435","","","0.71073","MoKα","","","0.0595","","","0.0476","","","","","1.31","1.31","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101886","12.707","0.004","13.139","0.003","9.488","0.003","93.92","0.03","97.81","0.03","72.45","0.02","1495.7","0.8","298","","299","","","","","","","","","5","P -1","-P 1","2","","Tetrakis(benzoylformato-O,O')-bis(caffeine)dicopper(II) dibenzene solvate","","- C60 H52 Cu2 N8 O16 -","- C60 H52 Cu2 N8 O16 -","- C60 H52 Cu2 N8 O16 -","1","0.5","OA0006","Harada, A.; Tsuchimoto, M.; Ohba, S.; Iwasawa, K.; Tokii, T.","Structures and Magnetic Properties of Dimeric Copper(II) Benzoylformates","Acta Crystallographica Section B","1997","53","4","654","661","10.1107/S0108768197006435","","","0.71073","MoKα","","","0.079","","","0.067","","","","","1.32","1.32","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101887","12.184","0.0011","5.7888","0.0014","15.2282","0.0012","90","","112.44","0.007","90","","992.7","0.3","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(E)-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","OA0007","Harada, J.; Ogawa, K.; Tomoda, S.","Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction","Acta Crystallographica Section B","1997","53","4","662","672","10.1107/S0108768197002772","","","1.54184","Cu_Kα","","0.108","0.0953","","0.2095","0.1917","","","","1.185","1.214","1.214","","","","","has coordinates,has disorder","277834","2022-09-14","16:39:44",""
"2101888","12.184","0.0011","5.7888","0.0014","15.2282","0.0012","90","","112.44","0.007","90","","992.7","0.3","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(E)-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","OA0007","Harada, J.; Ogawa, K.; Tomoda, S.","Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction","Acta Crystallographica Section B","1997","53","4","662","672","10.1107/S0108768197002772","","","1.54184","Cu_Kα","","0.1105","0.0974","","0.2183","0.2007","","","","1.192","1.23","1.23","","","","","has coordinates,has disorder","277834","2022-09-14","16:39:44",""
"2101889","12.034","0.002","5.695","0.002","14.979","0.002","90","","112.436","0.011","90","","948.9","0.4","82","","82","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(E)-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","OA0007","Harada, J.; Ogawa, K.; Tomoda, S.","Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction","Acta Crystallographica Section B","1997","53","4","662","672","10.1107/S0108768197002772","","","0.71073","Mo_Kα","","0.0985","0.0545","","0.16","0.137","","","","1.05","1.086","1.086","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2101890","13.625","0.0013","6.3728","0.0012","13.8825","0.0013","90","","97.11","0.008","90","","1196.1","0.3","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(E)-2,2'-dimethylazobenzene","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 N8 -","4","0.5","OA0007","Harada, J.; Ogawa, K.; Tomoda, S.","Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction","Acta Crystallographica Section B","1997","53","4","662","672","10.1107/S0108768197002772","","","1.54184","Cu_Kα","","0.0715","0.062","","0.1467","0.1386","","","","1.127","1.183","1.183","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2101891","13.4663","0.0013","6.294","0.0014","13.6133","0.0012","90","","98.116","0.007","90","","1142.3","0.3","90","","90","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(E)-2,2'-dimethylazobenzene","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 N8 -","4","0.5","OA0007","Harada, J.; Ogawa, K.; Tomoda, S.","Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction","Acta Crystallographica Section B","1997","53","4","662","672","10.1107/S0108768197002772","","","1.54184","Cu_Kα","","0.0463","0.0386","","0.1428","0.105","","","","1.028","1.042","1.042","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2101892","13.819","0.003","11.805","0.003","7.501","0.0012","90","","90","","90","","1223.6","0.4","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 N8 -","4","0.5","OA0007","Harada, J.; Ogawa, K.; Tomoda, S.","Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction","Acta Crystallographica Section B","1997","53","4","662","672","10.1107/S0108768197002772","","","0.71073","Mo_Kα","","0.1578","0.0653","","0.2385","0.1908","","","","1.015","1.234","1.234","","","","","has coordinates,has disorder","277834","2022-09-14","16:39:44",""
"2101893","13.819","0.003","11.805","0.003","7.501","0.0012","90","","90","","90","","1223.6","0.4","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-3,3'-dimethylazobenzene","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 N8 -","4","0.5","OA0007","Harada, J.; Ogawa, K.; Tomoda, S.","Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction","Acta Crystallographica Section B","1997","53","4","662","672","10.1107/S0108768197002772","","","0.71073","Mo_Kα","","0.145","0.0516","","0.1614","0.1252","","","","0.997","1.2","1.2","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2101894","13.824","0.002","11.731","0.002","7.366","0.002","90","","90","","90","","1194.5","0.4","200","","200","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-3,3'-dimethylazobenzene","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 N8 -","4","0.5","OA0007","Harada, J.; Ogawa, K.; Tomoda, S.","Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction","Acta Crystallographica Section B","1997","53","4","662","672","10.1107/S0108768197002772","","","1.54184","Cu_Kα","","0.0727","0.0645","","0.1572","0.1509","","","","1.22","1.28","1.28","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2101895","11.652","0.002","13.82","0.002","7.241","0.002","90","","90","","90","","1166","0.4","90","","90","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(E)-3,3'-dimethylazobenzene","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 N8 -","4","1","OA0007","Harada, J.; Ogawa, K.; Tomoda, S.","Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction","Acta Crystallographica Section B","1997","53","4","662","672","10.1107/S0108768197002772","","","0.71073","Mo_Kα","","0.1072","0.0464","","0.1377","0.1148","","","","1.021","1.083","1.083","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2101896","11.9762","0.0012","4.8462","0.0005","9.7193","0.001","90","","89.654","0.009","90","","564.09","0.1","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(E)-4,4'-dimethylazobenzene","","- C14 H14 N2 -","- C14 H14 N2 -","- C28 H28 N4 -","2","0.5","OA0007","Harada, J.; Ogawa, K.; Tomoda, S.","Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction","Acta Crystallographica Section B","1997","53","4","662","672","10.1107/S0108768197002772","","","0.71073","Mo_Kα","","0.11","0.0665","","0.1971","0.1678","","","","1.047","1.14","1.14","","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2101897","11.819","0.002","4.781","0.002","9.602","0.002","90","","89.87","0.02","90","","542.6","0.3","90","","90","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(E)-4,4'-dimethylazobenzene","","- C14 H14 N2 -","- C14 H14 N2 -","- C28 H28 N4 -","2","0.5","OA0007","Harada, J.; Ogawa, K.; Tomoda, S.","Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction","Acta Crystallographica Section B","1997","53","4","662","672","10.1107/S0108768197002772","","","0.71073","Mo_Kα","","0.0791","0.057","","0.1637","0.1494","","","","1.112","1.169","1.169","","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2101898","7.913","0.001","7.837","0.002","11.798","0.003","90","","90","","90","","731.6","0.3","18","","","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H6 Ag Cl O4 -","- C6 H6 Ag Cl O4 -","- C24 H24 Ag4 Cl4 O16 -","4","0.25","PT0004","McMullan, R. K.; Koetzle, T. F.; Fritchie, Jnr, C. J.","Low-Temperature Neutron Diffraction Study of the Silver Perchlorate‒Benzene π Complex","Acta Crystallographica Section B","1997","53","4","645","653","10.1107/S0108768197000712","","neutron","1.046","neutron","","","0.032","","","0.037","","","","","1.182","1.182","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101899","7.973","0.001","7.857","0.001","11.777","0.002","90","","90","","90","","737.76","0.18","78","","","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H6 Ag Cl O4 -","- C6 H6 Ag Cl O4 -","- C24 H24 Ag4 Cl4 O16 -","4","0.25","PT0004","McMullan, R. K.; Koetzle, T. F.; Fritchie, Jnr, C. J.","Low-Temperature Neutron Diffraction Study of the Silver Perchlorate‒Benzene π Complex","Acta Crystallographica Section B","1997","53","4","645","653","10.1107/S0108768197000712","","neutron","1.046","neutron","","","0.032","","","0.035","","","","","1.084","1.084","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101900","8.1","0.001","7.902","0.001","11.739","0.002","90","","90","","90","","751.37","0.18","158","","","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H6 Ag Cl O4 -","- C6 H6 Ag Cl O4 -","- C24 H24 Ag4 Cl4 O16 -","4","0.25","PT0004","McMullan, R. K.; Koetzle, T. F.; Fritchie, Jnr, C. J.","Low-Temperature Neutron Diffraction Study of the Silver Perchlorate‒Benzene π Complex","Acta Crystallographica Section B","1997","53","4","645","653","10.1107/S0108768197000712","","neutron","1.046","neutron","","","0.047","","","0.045","","","","","1.103","1.103","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101901","10.4455","0.0014","6.0307","0.0008","15.24","0.004","90","","90","0.02","90","","960","0.3","290","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- K3 Mo2 Na O8 -","- K3 Mo2 Na O8 -","- K12 Mo8 Na4 O32 -","4","0.5","SH0083","Fábry, J.; Petrícek, V.; Vanek, P.; Císarová, I.","Phase Transition in K~3~Na(MoO~4~)~2~ and Determination of the Twinned Structures of K~3~Na(MoO~4~)~2~ and K~2.5~Na~1.5~(MoO~4~)~2~ at Room Temperature","Acta Crystallographica Section B","1997","53","4","596","603","10.1107/S0108768197002164","","","0.71073","MoKα","","","0.0291","","","0.0362","","","","1.16","1.16","1.16","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101902","10.3849","0.0013","5.9957","0.0007","15.043","0.002","90","","90","0.02","90","","936.6","0.2","290","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- K2.5 Mo2 Na1.5 O8 -","- K2.5 Mo2 Na1.5 O8 -","- K10 Mo8 Na6 O32 -","4","0.5","SH0083","Fábry, J.; Petrícek, V.; Vanek, P.; Císarová, I.","Phase Transition in K~3~Na(MoO~4~)~2~ and Determination of the Twinned Structures of K~3~Na(MoO~4~)~2~ and K~2.5~Na~1.5~(MoO~4~)~2~ at Room Temperature","Acta Crystallographica Section B","1997","53","4","596","603","10.1107/S0108768197002164","","","0.71073","MoKα","","","0.0442","","","0.0611","","","","1.96","1.96","1.96","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101903","12.34","","12.41","","30.71","","90","","90","","90","","4702.91","","","","","","","","","","","","","3","I m m 2","I 2 -2","","","","","- Al12 Cr Fe2 -","- Al12.7576 Tm2.5 -","- Al255.152 Tm50 -","20","2.5","ZH0014","Sui, H. X.; Liao, X. Z.; Kuo, K. H.; Zou, X.; Hovmöller, S.","Structural Model of the Orthorhombic Non-Fibonacci Approximant in the Al~12~Fe~2~Cr Alloy","Acta Crystallographica Section B","1997","53","4","587","595","10.1107/S0108768197000220","","","","electron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101904","5.6938","0.0007","5.7913","0.0007","27.052","0.004","90","","90","","90","","892","0.2","122","0.5","122","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-(+)-3-hydroxy-3-(3'-chloro)phenylpropionic acid","","- C9 H9 Cl O3 -","- C9 H9 Cl O3 -","- C36 H36 Cl4 O12 -","4","1","AB0374","Sine Larsen; Katalin Marthi","Structural and Thermodynamic Relationships Between Optically Active and Racemic Compounds. The Crystal Structures of Optically Active Chloro- and Bromo-Substituted 3-Hydroxy-3-phenylpropionic Acids","Acta Crystallographica Section B","1997","53","5","803","811","10.1107/S0108768197007775","","","1.54184","CuKα","","0.0202","0.02","","0.0531","0.053","","","","1.066","1.07","1.07","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101905","5.802","0.0008","5.8638","0.0008","27.345","0.004","90","","90","","90","","930.3","0.2","122","0.5","122","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-(+)-3-hydroxy-3-(3'-bromo)phenylpropionic acid","","- C9 H9 Br O3 -","- C9 H9 Br O3 -","- C36 H36 Br4 O12 -","4","1","AB0374","Sine Larsen; Katalin Marthi","Structural and Thermodynamic Relationships Between Optically Active and Racemic Compounds. The Crystal Structures of Optically Active Chloro- and Bromo-Substituted 3-Hydroxy-3-phenylpropionic Acids","Acta Crystallographica Section B","1997","53","5","803","811","10.1107/S0108768197007775","","","1.54184","CuKα","","0.0342","0.0322","","0.0974","0.0854","","","","1.085","1.09","1.09","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101906","16.155","0.003","16.154","0.003","14.75","0.007","90","","90","","90","","3849","2","122","0.5","122","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Cl5 Cr2 H33 N10 O2 -","- Cl5 Cr2 H32.5 N10 O2 -","- Cl40 Cr16 H260 N80 O16 -","8","2","AB0375","Harris, P.; Birkedal, H.; Larsen, S.; Güdel, H. U.","A New Study of the Acid Rhodo Complex Salt [(NH~3~)~5~CrOHCr(NH~3~)~5~]Cl~5~.H~2~O Shows That the Crystals are Orthorhombic","Acta Crystallographica Section B","1997","53","5","795","802","10.1107/S0108768197007829","","","0.71073","MoKα","","0.0299","0.0281","","0.0779","0.0756","","","","1.071","1.052","1.052","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101907","11.262","0.002","12.867","0.003","12.51","0.003","90","","112.11","0.03","90","","1679.5","0.7","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N4 -","- C18 H24 N4 -","- C72 H96 N16 -","4","1","AN0521","Cole, J. C.; Cole, J. M.; Cross, G. H.; Farsari, M.; Howard, J. A. K.; Szablewski, M.","Structural Studies of a Series of Organic Non-Linear Optical Materials","Acta Crystallographica Section B","1997","53","5","812","821","10.1107/S010876819601525X","","","0.71073","MoKα","","0.0961","0.0374","","0.07","0.0607","","","","0.764","0.962","0.962","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101908","6.97","0.001","14.233","0.003","7.633","0.002","90","","107.91","0.03","90","","720.5","0.3","150","2","150","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C17 H16 N4 -","- C17 H16 N4 -","- C34 H32 N8 -","2","1","AN0521","Cole, J. C.; Cole, J. M.; Cross, G. H.; Farsari, M.; Howard, J. A. K.; Szablewski, M.","Structural Studies of a Series of Organic Non-Linear Optical Materials","Acta Crystallographica Section B","1997","53","5","812","821","10.1107/S010876819601525X","","","0.71073","MoKα","","0.0472","0.0352","","0.0991","0.0788","","","","1.037","1.034","1.034","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101909","6.837","0.001","25.08","0.005","7.386","0.001","90","","92.7","0.03","90","","1265.1","0.4","150","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N4 -","- C15 H12 N4 -","- C60 H48 N16 -","4","1","AN0521","Cole, J. C.; Cole, J. M.; Cross, G. H.; Farsari, M.; Howard, J. A. K.; Szablewski, M.","Structural Studies of a Series of Organic Non-Linear Optical Materials","Acta Crystallographica Section B","1997","53","5","812","821","10.1107/S010876819601525X","","","0.71073","MoKα","","0.3495","0.0586","","0.1943","0.1137","","","","0.92","1.205","1.205","","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2101910","7.615","0.004","7.962","0.004","14.74","0.004","91.45","0.04","96.93","0.04","118.03","0.04","779.7","0.7","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H15 N5 -","- C18 H15 N5 -","- C36 H30 N10 -","2","1","AN0521","Cole, J. C.; Cole, J. M.; Cross, G. H.; Farsari, M.; Howard, J. A. K.; Szablewski, M.","Structural Studies of a Series of Organic Non-Linear Optical Materials","Acta Crystallographica Section B","1997","53","5","812","821","10.1107/S010876819601525X","","","0.71073","MoKα","","0.0706","0.0381","","0.1158","0.1009","","","","1.031","1.063","1.063","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101911","7.931","0.001","23.158","0.005","6.856","0.002","90","","113.44","0.02","90","","1155.3","0.5","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C10 H44 N4 O14 P2 -","- C10 H44 N4 O14 P2 -","- C20 H88 N8 O28 P4 -","2","0.5","BK0042","Cohen, A. E.; Craven, B. M.; Klooster, W. T.","Structure and Thermal Vibrations of Spermine Phosphate Hexahydrate from Neutron Diffraction Data at 125K","Acta Crystallographica Section B","1997","53","5","787","794","10.1107/S0108768197005892","","neutron","1.16395","neutron","","","","","","","","","","","","","","","","","has coordinates","190615","2020-10-21","18:00:00",""
"2101912","10.1737","0.0001","13.9127","0.0001","8.7336","0.0001","90","","107.037","0.001","90","","1181.94","0.02","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 O4 P -","- C11 H15 O4 P -","- C44 H60 O16 P4 -","4","1","BK1251","Blazis, Vincent J.; Koeller, Kevin J.; Rath, Nigam P.; Spilling, Christopher D.","Application of Wallach's Rule in a Comparison of the X-ray Crystal Structures of the Racemate and the (<i>S</i>) Enantiomer of (1-Hydroxy-3-phenyl-2-propenyl) Dimethylphosphonate","Acta Crystallographica Section B","1997","53","5","838","842","10.1107/S0108768197005703","","","0.71073","MoKα","","0.043","0.033","","0.097","0.089","","","","1.04","1.06","1.06","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101913","7.36","","8.344","0.0001","20.4292","0.0003","90","","90","","90","","1254.59","0.02","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O4 P -","- C11 H15 O4 P -","- C44 H60 O16 P4 -","4","1","BK1251","Blazis, Vincent J.; Koeller, Kevin J.; Rath, Nigam P.; Spilling, Christopher D.","Application of Wallach's Rule in a Comparison of the X-ray Crystal Structures of the Racemate and the (<i>S</i>) Enantiomer of (1-Hydroxy-3-phenyl-2-propenyl) Dimethylphosphonate","Acta Crystallographica Section B","1997","53","5","838","842","10.1107/S0108768197005703","","","0.71073","MoKα","","0.046","0.04","","0.107","0.103","","","","1.04","1.05","1.05","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101914","15.796","0.001","15.796","0.001","14.198","0.001","90","","90","","90","","3542.6","0.4","296","1","296","1","","","","","","","","4","I -4","I -4","82","","tetraphenylphosphonium tetraphenylborate","","- C48 H40 B P -","- C48 H40 B P -","- C192 H160 B4 P4 -","4","0.5","CR0521","Lloyd, M. A.; Brock, C. P.","[<i>M</i>Ph~4~][BPh~4~], <i>M</i> = P, As and Sb","Acta Crystallographica Section B","1997","53","5","773","779","10.1107/S0108768197005077","","","0.71073","MoKα","","0.0874","0.05","","0.172","0.1567","","","","1.21","1.214","1.214","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2101915","15.936","0.004","15.936","0.004","14.062","0.002","90","","90","","90","","3571.1","1.4","296","1","296","1","","","","","","","","4","I -4","I -4","82","","tetraphenylarsonium tetraphenylborate","","- C48 H40 As B -","- C48 H40 As B -","- C192 H160 As4 B4 -","4","0.5","CR0521","Lloyd, M. A.; Brock, C. P.","[<i>M</i>Ph~4~][BPh~4~], <i>M</i> = P, As and Sb","Acta Crystallographica Section B","1997","53","5","773","779","10.1107/S0108768197005077","","","0.71073","MoKα","","0.0634","0.039","","0.112","0.1034","","","","1.12","1.16","1.16","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2101916","16.272","0.003","16.272","0.003","13.703","0.003","90","","90","","90","","3628.3","1.2","295","1","295","1","","","","","","","","4","I -4","I -4","82","","tetraphenylstibonium tetraphenylborate","","- C48 H40 B Sb -","- C48 H40 B Sb -","- C192 H160 B4 Sb4 -","4","0.5","CR0521","Lloyd, M. A.; Brock, C. P.","[<i>M</i>Ph~4~][BPh~4~], <i>M</i> = P, As and Sb","Acta Crystallographica Section B","1997","53","5","773","779","10.1107/S0108768197005077","","","0.71073","MoKα","","0.0361","0.028","","0.082","0.0774","","","","1.17","1.195","1.195","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2101917","8.271","0.003","8.271","0.003","11.083","0.003","90","","90","","120","","656.6","0.4","293","2","293","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","1,10-dibromodecane/urea inclusion","","- C1.7 H5.54 Br0.14 N2 O -","- C3 H4 N2 O -","- C18 H24 N12 O6 -","6","0.5","HA0155","Yeo, L.; Harris, K. D. M.","Definitive Structural Characterization of the Conventional Low-Temperature Host Structure in Urea Inclusion Compounds","Acta Crystallographica Section B","1997","53","5","822","830","10.1107/S0108768197005417","","","0.71069","MoKα","","0.1153","0.1133","","0.2915","0.2903","","","","1.23","1.24","1.24","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101918","8.2201","0.0013","8.2201","0.0013","11.0342","0.0012","90","","90","","120","","645.69","0.16","293","2","293","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","1,12-dibromododecane/urea inclusion","","- C2.08 H6.16 Br0.18 N2 O -","- C3 H4 N2 O -","- C18 H24 N12 O6 -","6","0.5","HA0155","Yeo, L.; Harris, K. D. M.","Definitive Structural Characterization of the Conventional Low-Temperature Host Structure in Urea Inclusion Compounds","Acta Crystallographica Section B","1997","53","5","822","830","10.1107/S0108768197005417","","","0.71069","MoKα","","0.1121","0.1099","","0.3018","0.2987","","","","1.22","1.219","1.219","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101919","11.007","0.002","13.945","0.004","8.08","0.002","90","","90","","90","","1240.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,10-dibromodecane/urea inclusion","","- C1.7 H5.54 Br0.14 N2 O -","- C3.33333 H4 N2 O -","- C40 H48 N24 O12 -","12","3","HA0155","Yeo, L.; Harris, K. D. M.","Definitive Structural Characterization of the Conventional Low-Temperature Host Structure in Urea Inclusion Compounds","Acta Crystallographica Section B","1997","53","5","822","830","10.1107/S0108768197005417","","","0.71069","MoKα","","0.1534","0.1354","","0.3313","0.3162","","","","1.111","1.148","1.148","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101920","10.93","0.002","14.133","0.003","8.186","0.002","90","","90","","90","","1264.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2.08 H6.16 Br0.18 N2 O -","- C3.33333 H4 N2 O -","- C40 H48 N24 O12 -","12","3","HA0155","Yeo, L.; Harris, K. D. M.","Definitive Structural Characterization of the Conventional Low-Temperature Host Structure in Urea Inclusion Compounds","Acta Crystallographica Section B","1997","53","5","822","830","10.1107/S0108768197005417","","","0.71069","MoKα","","0.1337","0.1234","","0.3448","0.3348","","","","1.036","1.068","1.068","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101921","11.8097","0.0009","8.2776","0.0007","12.003","0.001","90","","94.951","0.004","90","","1168.99","0.17","20","","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","5-ethynyl-5H-dibenzo[a,d]cyclohepten-5-ol","","- C17 H12 O -","- C17 H12 O -","- C68 H48 O4 -","4","1","KA0035","Steiner, T.; Mason, S. A.; Tamm, M.","Neutron Diffraction Study of Aromatic Hydrogen Bonds: 5-Ethynyl-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cyclohepten-5-ol at 20K","Acta Crystallographica Section B","1997","53","5","843","848","10.1107/S0108768197006174","","neutron","1.3135","thermalneutron","","0.0703","0.0483","","0.1207","0.1038","","","","1.065","1.113","1.113","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101922","10.607","0.003","11.308","0.005","17.699","0.002","77.53","0.02","73.17","0.01","69.85","0.03","1891.6","1.1","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H34 N4 O Ru S -","- C47 H33 N4 O Ru S -","- C94 H66 N8 O2 Ru2 S2 -","2","1","MU0320","Bartczak, T. J.; Rachlewicz, K.; Latos-Grażynski, L.","Crystal and Molecular Structure of Thiocarbonyl-ethoxo(tetraphenylporphyrinato)ruthenium(II), [Ru(TPP)(CS)(HOC~2~H~5~)]. A Case of Centrosymmetric‒Noncentrosymmetric Ambiguity","Acta Crystallographica Section B","1997","53","5","767","772","10.1107/S0108768197003789","","","0.71073","MoKα","","0.184","0.0938","","0.1283","0.0984","","","","","2.28","2.28","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101923","5.689","0.001","7.6094","0.0009","5.335","0.0008","90","","90","","90","","230.95","0.06","293","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O3 Ti Y -","- O3 Ti Y -","- O12 Ti4 Y4 -","4","0.5","OA0005","Hester, J. R.; Tomimoto, K.; Noma, H.; Okamura, F. P.; Akimitsu, J.","Electron Density in YTiO~3~","Acta Crystallographica Section B","1997","53","5","739","744","10.1107/S010876819700551X","","","0.2106","WKα","","","0.0017","","","0.0013","","","","","2.27","2.27","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101924","5.6901","0.0004","7.613","0.0007","5.3381","0.0006","90","","90","","90","","231.24","0.04","293","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O3 Ti Y -","- O3 Ti Y -","- O12 Ti4 Y4 -","4","0.5","OA0005","Hester, J. R.; Tomimoto, K.; Noma, H.; Okamura, F. P.; Akimitsu, J.","Electron Density in YTiO~3~","Acta Crystallographica Section B","1997","53","5","739","744","10.1107/S010876819700551X","","","0.2106","WKα","","","0.0024","","","0.0017","","","","","1.64","1.64","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101925","5.69","0.004","7.583","0.006","5.318","0.005","90","","90","","90","","229.5","0.3","127","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O3 Ti Y -","- O3 Ti Y -","- O12 Ti4 Y4 -","4","0.5","OA0005","Hester, J. R.; Tomimoto, K.; Noma, H.; Okamura, F. P.; Akimitsu, J.","Electron Density in YTiO~3~","Acta Crystallographica Section B","1997","53","5","739","744","10.1107/S010876819700551X","","","0.2106","WKα","","","0.0021","","","0.0015","","","","","1.8","1.8","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101926","8.375","0.002","8.375","0.002","8.375","0.002","90","","90","","90","","587.4","0.2","","","","","","","","","","","","2","F d -3 m {origin @ -3 m}","-F 4vw 2vw 3","","","","","- Fe3 O4 -","- Fe3 O4 -","- Fe24 O32 -","8","","OH0053","Sasaki, S.","Radial Distribution of Electron Density in Magnetite, Fe~3~O~4~","Acta Crystallographica Section B","1997","53","5","762","766","10.1107/S0108768197007842","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"2101927","16.57244","0.00011","4.82608","0.00003","5.48949","0.00003","90","","91.1727","0.0005","90","","438.957","0.005","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","antimony tantalum titanium oxide","","- O6 Sb Ta Ti -","- O6 Sb Ta Ti -","- O24 Sb4 Ta4 Ti4 -","4","0.5","AB0373","Ling, Christopher; Thompson, John G.; Schmid, Siegbert; Cookson, David; Withers, Ray L.","Structure Refinements of the Layered Intergrowth Phases Sb^III^Sb^V <i>x^</i><i>A</i>~1{-~<i>x</i>}TiO~6~ (<i>x</i>≃0, <i>A</i> = Ta, Nb) Using Synchrotron X-ray Powder Diffraction Data","Acta Crystallographica Section B","1997","53","6","861","869","10.1107/S0108768197007787","","","1.2618","synchrotron","","","","","","","","","","12.14","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101928","16.6009","0.0002","4.82702","0.00006","5.4933","0.00006","90","","91.1159","0.0009","90","","440.11","0.009","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","antimony niobium titanium oxide","","- Nb O6 Sb Ti -","- Nb O6 Sb Ti -","- Nb4 O24 Sb4 Ti4 -","4","0.5","AB0373","Ling, Christopher; Thompson, John G.; Schmid, Siegbert; Cookson, David; Withers, Ray L.","Structure Refinements of the Layered Intergrowth Phases Sb^III^Sb^V <i>x^</i><i>A</i>~1{-~<i>x</i>}TiO~6~ (<i>x</i>≃0, <i>A</i> = Ta, Nb) Using Synchrotron X-ray Powder Diffraction Data","Acta Crystallographica Section B","1997","53","6","861","869","10.1107/S0108768197007787","","","1.2618","synchrotron","","","","","","","","","","19.51","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101929","11.31","0.001","23.183","0.004","9.462","0.001","90","","90","","90","","2480.9","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H21 N5 O11 -","- C21 H21 N5 O11 -","- C84 H84 N20 O44 -","4","1","BM0007","Zaderenko, Paula; Gil, Ma. Soledad; López, Pilar; Ballesteros, Paloma; Fonseca, Isabel; Albert, Armando","Diethyl 2-Benzimidazol-1-ylsuccinate‒Picric Acid (1/1) ‒ An Inclusion Molecular Complex","Acta Crystallographica Section B","1997","53","6","961","967","10.1107/S0108768197008562","","","1.5418","CuKα","","0.1029","0.0785","","0.216","0.1889","","","","1.135","1.177","1.177","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101930","4.49307","0.00007","4.49307","0.00007","3.10639","0.00007","90","","90","","90","","62.711","0.002","298","","298","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","ruthenium dioxide","","- O2 Ru -","- O2 Ru -","- O4 Ru2 -","2","0.125","BR0060","Haines, J.; Léger, J. M.; Schulte, O.; Hull, S.","Neutron Diffraction Study of the Ambient-Pressure, Rutile-Type and the High-Pressure, CaCl~2~-Type Phases of Ruthenium Dioxide","Acta Crystallographica Section B","1997","53","6","880","884","10.1107/S0108768197008094","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101931","4.4865","0.0005","4.4347","0.0005","3.0934","0.0003","90","","90","","90","","61.547","0.011","298","","298","","","","","","","","","2","P n n m","-P 2 2n","58","","ruthenium dioxide","","- O2 Ru -","- O2 Ru -","- O4 Ru2 -","2","0.25","BR0060","Haines, J.; Léger, J. M.; Schulte, O.; Hull, S.","Neutron Diffraction Study of the Ambient-Pressure, Rutile-Type and the High-Pressure, CaCl~2~-Type Phases of Ruthenium Dioxide","Acta Crystallographica Section B","1997","53","6","880","884","10.1107/S0108768197008094","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101932","10.443","0.005","7.572","0.004","5.824","0.004","90","","120.95","0.08","90","","395","0.5","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C10 H10 Fe -","- C10 H10 Fe -","- C20 H20 Fe2 -","2","0.5","CR0517","Brock, C. P.; Fu, Y.","Rigid-Body Disorder Models for the High-Temperature Phase of Ferrocene","Acta Crystallographica Section B","1997","53","6","928","938","10.1107/S0108768197005132","","neutron","1.0399","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101933","10.53","0.008","7.604","0.005","5.921","0.004","90","","121.05","0.08","90","","406.2","0.7","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C10 H10 Fe -","- C10 H10 Fe -","- C20 H20 Fe2 -","2","0.5","CR0517","Brock, C. P.; Fu, Y.","Rigid-Body Disorder Models for the High-Temperature Phase of Ferrocene","Acta Crystallographica Section B","1997","53","6","928","938","10.1107/S0108768197005132","","neutron","1.0399","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101934","10.443","0.005","7.572","0.004","5.824","0.004","90","","120.95","0.08","90","","395","0.5","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C10 H10 Fe -","- C20 H20 Fe -","- C40 H40 Fe2 -","2","0.5","CR0517","Brock, C. P.; Fu, Y.","Rigid-Body Disorder Models for the High-Temperature Phase of Ferrocene","Acta Crystallographica Section B","1997","53","6","928","938","10.1107/S0108768197005132","","neutron","1.0399","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101935","10.53","0.008","7.604","0.005","5.921","0.004","90","","121.05","0.08","90","","406.2","0.7","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C10 H10 Fe -","- C20 H20 Fe -","- C40 H40 Fe2 -","2","0.5","CR0517","Brock, C. P.; Fu, Y.","Rigid-Body Disorder Models for the High-Temperature Phase of Ferrocene","Acta Crystallographica Section B","1997","53","6","928","938","10.1107/S0108768197005132","","neutron","1.0399","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101936","10.443","0.005","7.572","0.004","5.824","0.004","90","","120.95","0.08","90","","395","0.5","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C10 H10 Fe -","- C30 H30 Fe -","- C60 H60 Fe2 -","2","0.5","CR0517","Brock, C. P.; Fu, Y.","Rigid-Body Disorder Models for the High-Temperature Phase of Ferrocene","Acta Crystallographica Section B","1997","53","6","928","938","10.1107/S0108768197005132","","neutron","1.0399","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101937","10.53","0.008","7.604","0.005","5.921","0.004","90","","121.05","0.08","90","","406.2","0.7","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C10 H10 Fe -","- C30 H30 Fe -","- C60 H60 Fe2 -","2","0.5","CR0517","Brock, C. P.; Fu, Y.","Rigid-Body Disorder Models for the High-Temperature Phase of Ferrocene","Acta Crystallographica Section B","1997","53","6","928","938","10.1107/S0108768197005132","","neutron","1.0399","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101938","10.8834","0.0012","11.2355","0.001","14.743","0.002","90","","104.295","0.008","90","","1747","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1-(1-naphthyl)-4-methylpiperazine maleate","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","HA0157","Verdonk, M. L.; Voogd, J. W.; Kanters, J. A.; Kroon, J.; den Besten, R.; Brandsma, L.; Leysen, D.; Kelder, J.","Structure and Serotonin 5-HT~2C~ Receptor Activity of <i>ortho</i>- and <i>meta</i>-Substituted Phenylpiperazines","Acta Crystallographica Section B","1997","53","6","976","983","10.1107/S0108768197009142","","","0.71073","MoKα","","0.1988","0.0568","","0.1301","0.1029","","","","0.83","1.158","1.158","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101939","6.5086","0.0011","9.0954","0.0007","26.686","0.005","90","","93.325","0.014","90","","1577.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(3-methoxyphenyl)piperazine maleate","","- C15 H20 N2 O5 -","- C15 H20 N2 O5 -","- C60 H80 N8 O20 -","4","1","HA0157","Verdonk, M. L.; Voogd, J. W.; Kanters, J. A.; Kroon, J.; den Besten, R.; Brandsma, L.; Leysen, D.; Kelder, J.","Structure and Serotonin 5-HT~2C~ Receptor Activity of <i>ortho</i>- and <i>meta</i>-Substituted Phenylpiperazines","Acta Crystallographica Section B","1997","53","6","976","983","10.1107/S0108768197009142","","","0.71073","MoKα","","0.2664","0.0759","","0.1947","0.1558","","","","0.858","1.278","1.278","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101940","9.4085","0.0006","9.87","0.0006","10.9433","0.0007","77.563","0.005","81.341","0.005","81.08","0.005","973.11","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(2-methoxyphenyl)piperazine picrate","","- C17 H19 N5 O8 -","- C17 H19 N5 O8 -","- C34 H38 N10 O16 -","2","1","HA0157","Verdonk, M. L.; Voogd, J. W.; Kanters, J. A.; Kroon, J.; den Besten, R.; Brandsma, L.; Leysen, D.; Kelder, J.","Structure and Serotonin 5-HT~2C~ Receptor Activity of <i>ortho</i>- and <i>meta</i>-Substituted Phenylpiperazines","Acta Crystallographica Section B","1997","53","6","976","983","10.1107/S0108768197009142","","","0.71073","MoKα","","0.0992","0.062","","0.1903","0.1718","","","","1.089","1.233","1.233","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101941","15.91","0.002","6.0477","0.0011","18.66","0.002","90","","108.028","0.01","90","","1707.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[(3-trifluoromethyl)phenyl-4-methylpiperazine maleate","","- C16 H19 F3 N2 O4 -","- C16 H19 F3 N2 O4 -","- C64 H76 F12 N8 O16 -","4","1","HA0157","Verdonk, M. L.; Voogd, J. W.; Kanters, J. A.; Kroon, J.; den Besten, R.; Brandsma, L.; Leysen, D.; Kelder, J.","Structure and Serotonin 5-HT~2C~ Receptor Activity of <i>ortho</i>- and <i>meta</i>-Substituted Phenylpiperazines","Acta Crystallographica Section B","1997","53","6","976","983","10.1107/S0108768197009142","","","0.71073","MoKα","","0.092","0.0534","","0.1468","0.1353","","","","1.047","1.186","1.186","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101942","6.716","0.006","9.048","0.009","6.074","0.004","89.19","0.04","118.17","0.05","108.85","0.04","303.7","0.5","293","2","293","2","","","","","","","","2","P -1","-P 1","2","Molybdenum Pentachloride","β-Molybdenum Pentachloride","","- Cl5 Mo -","- Cl5 Mo -","- Cl10 Mo2 -","2","1","JZ0002","Beck, J.; Wolf, F.","Three New Polymorphic Forms of Molybdenum Pentachloride","Acta Crystallographica Section B","1997","53","6","895","903","10.1107/S0108768197008331","","","0.71073","MoKα","","0.041","0.022","","0.0462","0.0438","","","","0.965","1.049","1.049","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101943","11.7","0.009","17.874","0.01","6.085","0.003","90","","90","","90","","1272.5","1.4","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","Molybdenum Pentachloride","γ-Molybdenum Pentachloride","","- Cl5 Mo -","- Cl5 Mo -","- Cl40 Mo8 -","8","1","JZ0002","Beck, J.; Wolf, F.","Three New Polymorphic Forms of Molybdenum Pentachloride","Acta Crystallographica Section B","1997","53","6","895","903","10.1107/S0108768197008331","","","0.71073","MoKα","","0.0466","0.04","","0.1259","0.1211","","","","1.147","1.203","1.203","","","","","has coordinates,has Fobs","278244","2022-09-28","13:56:22",""
"2101944","9.4682","0.0007","11.7496","0.0009","12.1619","0.0011","90","","108.879","0.005","90","","1280.2","0.18","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","Molybdenum Pentachloride","δ-Molybdenum Pentachloride","","- Cl10 Mo2 -","- Cl10 Mo2 -","- Cl40 Mo8 -","4","1","JZ0002","Beck, J.; Wolf, F.","Three New Polymorphic Forms of Molybdenum Pentachloride","Acta Crystallographica Section B","1997","53","6","895","903","10.1107/S0108768197008331","","","0.71073","MoKα","","0.0629","0.0359","","0.1188","0.0987","","","","1.038","1.047","1.047","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2101945","13.238","0.001","12.995","0.001","9.309","0.004","90","","100.938","0.013","90","","1572.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2',4'-dichlorobenzyloxy)-2-azaspiro[4.4]nonane-1,3-dione","","- C15 H15 Cl2 N O3 -","- C15 H15 Cl2 N O3 -","- C60 H60 Cl8 N4 O12 -","4","1","KA0034","Ciechanowicz-Rutkowska, M.; Lieberman, H. F.; Hursthouse, M. B.; Scott, K. R.","Crystallographic and Molecular Mechanics Study of Imidooxy Anticonvulsants","Acta Crystallographica Section B","1997","53","6","945","952","10.1107/S0108768197008033","","","0.71069","MoKα","","0.159","0.0413","","0.0947","0.0828","","","","0.605","1.044","1.044","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101946","25.005","0.005","12.7399","0.0011","9.3636","0.001","90","","92.436","0.009","90","","2980.2","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-(2'-bromobezyloxy)-2-azaspiro[4.4]nonane-1,3-dione","","- C15 H16 Br N O3 -","- C15 H16 Br N O3 -","- C120 H128 Br8 N8 O24 -","8","1","KA0034","Ciechanowicz-Rutkowska, M.; Lieberman, H. F.; Hursthouse, M. B.; Scott, K. R.","Crystallographic and Molecular Mechanics Study of Imidooxy Anticonvulsants","Acta Crystallographica Section B","1997","53","6","945","952","10.1107/S0108768197008033","","","0.71069","MoKα","","0.1322","0.0599","","0.1945","0.1328","","","","0.56","0.755","0.755","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101947","30.032","0.003","12.0381","0.0013","9.099","0.003","90","","92.362","0.015","90","","3286.8","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-(4'(trifluoromethyl)-bezyloxy)-2-azaspiro[4.4]nonane-1,3-dione","","- C16 H16 F3 N O3 -","- C16 H16 F3 N O3 -","- C128 H128 F24 N8 O24 -","8","1","KA0034","Ciechanowicz-Rutkowska, M.; Lieberman, H. F.; Hursthouse, M. B.; Scott, K. R.","Crystallographic and Molecular Mechanics Study of Imidooxy Anticonvulsants","Acta Crystallographica Section B","1997","53","6","945","952","10.1107/S0108768197008033","","","0.71069","MoKα","","0.2553","0.0883","","0.2703","0.1825","","","","0.663","1.103","1.103","","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2101948","9.055","0.005","12.253","0.01","26.855","0.007","90","","95.16","0.03","90","","2968","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4'-chlorobenzyloxy)-2-azaspiro[4.4]nonane-1,3-dione","","- C15 H16 Cl N O3 -","- C15 H16 Cl N O3 -","- C120 H128 Cl8 N8 O24 -","8","2","KA0034","Ciechanowicz-Rutkowska, M.; Lieberman, H. F.; Hursthouse, M. B.; Scott, K. R.","Crystallographic and Molecular Mechanics Study of Imidooxy Anticonvulsants","Acta Crystallographica Section B","1997","53","6","945","952","10.1107/S0108768197008033","","","0.71069","MoKα","","0.1982","0.0483","","0.2218","0.1145","","","","0.472","0.595","0.595","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101949","9.101","0.002","12.274","0.002","27.27","0.002","90","","96.544","0.012","90","","3026.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4'-bromobenzyloxy)-2-azaspiro[4.4]nonane-1,3-dione","","- C15 H16 Br N O3 -","- C15 H16 Br N O3 -","- C120 H128 Br8 N8 O24 -","8","2","KA0034","Ciechanowicz-Rutkowska, M.; Lieberman, H. F.; Hursthouse, M. B.; Scott, K. R.","Crystallographic and Molecular Mechanics Study of Imidooxy Anticonvulsants","Acta Crystallographica Section B","1997","53","6","945","952","10.1107/S0108768197008033","","","0.71069","MoKα","","0.3109","0.0589","","0.2241","0.1341","","","","0.514","0.803","0.803","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101950","16.152","0.001","16.152","0.001","5.353","0.001","90","","90","","120","","1209.4","0.2","","","","","","","","","","","","3","P 3","P 3","","","","","- C16 H22 N6 -","- C17.3333 H23.3333 N6 -","- C52 H70 N18 -","3","1","NA0079","Ochando, L. E.; Rius, J.; Louër, D.; Claramunt, R. M.; Lopez, C.; Elguero, J.; Amigó, J. M.","Phase Transitions in Tris(3,5-dimethylpyrazol-1-yl)methane. The Structure of the High-Temperature Phase from X-ray Powder Diffraction","Acta Crystallographica Section B","1997","53","6","939","944","10.1107/S0108768197007830","","","1.5406","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101951","7.72","0.002","21.235","0.005","8.248","0.002","90","","91.12","0.02","90","","1351.9","0.6","93","2","93","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Tetrakis(trichlorophosphazeno)phosphonium hexachlorophosphate","","- Cl18 N4 P6 -","- Cl18 N4 P6 -","- Cl36 N8 P12 -","2","0.5","SE0209","Belaj, F.","Structure and Motion of Tetrakis(trichlorophosphazeno)phosphonium Hexachlorophosphate, [P(NPCl~3~)~4~]^+^PCl~6~^{-^}, at 93 K","Acta Crystallographica Section B","1997","53","6","923","927","10.1107/S0108768197005429","","","0.71069","MoKα","","0.0797","0.0497","","0.1274","0.1091","","","","1.007","1.058","1.058","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101952","9.958","0.002","11.546","0.002","15.726","0.002","90","","96.9","0.01","90","","1795","0.5","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","Chloro-bis(trichlorophosphazeno)methyl hexachlorophosphate","[N-(chloroformimidoyl)phosphorimidic trichloridato]trichlorophosphorus hexachlorophosphate","","- C Cl13 N2 P3 -","- C Cl13 N2 P3 -","- C4 Cl52 N8 P12 -","4","2","SE0217","Belaj, F.","Structures of the Phosphazenes [ClC(NPCl~3~)~2~]^+^PCl~6~^{-^} and [CH~3~C(NPCl~3~)~2~]^+^SbCl~6~^{-^} at 90 K","Acta Crystallographica Section B","1997","53","6","953","960","10.1107/S0108768197008343","","","0.71069","MoKα","","0.0433","0.0313","","0.0854","0.0748","","","","1.063","1.052","1.052","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101953","12.133","0.001","12.229","0.001","13.975","0.002","90.09","0.01","91.17","0.01","108.86","0.01","1961.7","0.4","90","2","90","2","","","","","","","","6","P -1","-P 1","2","Methyl-bis(trichlorophosphazeno)methyl hexachloroantimonate","[N-(acetimidoyl) phosphorimidic trichloridato]trichlorophosphorus hexachloroantimonate","","- C2 H3 Cl12 N2 P2 Sb -","- C2 H3 Cl12 N2 P2 Sb -","- C8 H12 Cl48 N8 P8 Sb4 -","4","2","SE0217","Belaj, F.","Structures of the Phosphazenes [ClC(NPCl~3~)~2~]^+^PCl~6~^{-^} and [CH~3~C(NPCl~3~)~2~]^+^SbCl~6~^{-^} at 90 K","Acta Crystallographica Section B","1997","53","6","953","960","10.1107/S0108768197008343","","","0.71069","MoKα","","0.0481","0.0357","","0.0932","0.0861","","","","1.033","1.075","1.075","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101954","8.444","0.002","7.378","0.002","5.1416","0.0006","90","","90","","90","","320.32","0.12","293","2","","","","","","","","","","3","P n a 21","P 2c -2n","","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","SH0093","Le Hénaff, C.; Hansen, N. K.; Protas, J.; Marnier, G.","Electron Density Distribution in LiB~3~O~5~ at 293 K","Acta Crystallographica Section B","1997","53","6","870","879","10.1107/S0108768197007817","","","0.56087","AgKα","","","0.0147","","","0.0193","","","","","1.106","1.106","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2106151","11.38","","12.996","","3.9155","","90","","90","","90","","579.081","","","","","","","","","","","","","5","F 2 2 2","F 2 2","22","","((Bi0.06 Sr0.46 Ca0.48)2 Cu2 O3)7","","- Bi0.84 Ca6.72 Cu8 O16 Sr6.44 -","- Bi0.84 Ca6.72 Cu8 O16 Sr6.44 -","- Bi0.84 Ca6.72 Cu8 O16 Sr6.44 -","1","0.0625","","Jensen, A.F.; Larsen, F.K.; Iversen, B.B.; Schultz, T.; Gao, Y.; Petricek, V.","Importance of the true satellite reflections in the analysis of modulated, composite crystal structures. I. A new refinement of (M2 Cu2 O3)7+d (Cu O2)10, M= Bi0.06 Sr0.46 Ca0.48","Acta Crystallographica B (39,1983-)","1997","53","","113","124","","","","","","","","","","","","","","","","","","","","","","has coordinates","145411","2020-10-21","18:00:00",""
"2106152","11.4712","","13.3765","","3.9316","","90","","90","","90","","603.282","","","","","","","","","","","","","4","F m m m","-F 2 2","69","","((Bi0.04 Sr0.96)2 Cu2 O3)4","","- Bi0.32 Cu4 O8 Sr7.68 -","- Bi0.32 Cu4 O12 Sr7.68 -","- Bi0.32 Cu4 O12 Sr7.68 -","1","0.03125","","Jensen, A.F.; Petricek, V.; Larsen, F.K.; McCarron, E.M.","Importance of the true satellite reflections in the analysis of modulated, composite crystal structures. II. The structur structure of (M2' Cu2 O3)7 (Cu O2)10, M'= Bi0.04 Sr0.96","Acta Crystallographica B (39,1983-)","1997","53","","113","124","","","","","","","","","","","","","","","","","","","","","","has coordinates","145412","2020-10-21","18:00:00",""
"9014175","4.9577","","4.9577","","3.3879","","90","","90","","90","","83.27","","","","","","","","","","","","Synthetic","2","P 42/m n m","-P 4n 2n","136","","","Plattnerite","- O2 Pb -","- O2 Pb -","- O4 Pb2 -","2","0.125","","Bolzan, A. A.; Fong, C.; Kennedy, B. J.; Howard, C. J.","Structural studies of rutile-type metal dioxides","Acta Crystallographica, Section B","1997","53","3","373","380","10.1107/S0108768197001468","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9016492","4.4066","","4.4066","","2.8619","","90","","90","","90","","55.573","","","","","","","","","","","","Synthetic","2","P 42/m n m","-P 4n 2n","136","","","Argutite","- Ge O2 -","- Ge O2 -","- Ge2 O4 -","2","0.125","","Bolzan, A. A.; Fong, C.; Kennedy, B. J.; Howard, C. J.","Structural studies of rutile-type metal dioxides","Acta Crystallographica, Section B","1997","53","3","373","380","10.1107/S0108768197001468","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""