# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T14:50:30+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 = 68 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
"2105049","4.386","0.004","4.386","0.004","18.738","0.018","90","","90","","120","","312.2","0.5","296","2","296","2","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Li0.63 Zn0.87 -","- Li0.625714 Zn0.873429 -","- Li8.76 Zn12.228 -","14","0.388889","BP5039","Pavlyuk, Volodymyr; Chumak, Ihor; Ehrenberg, Helmut","Polymorphism of Li~2~Zn~3~","Acta Crystallographica Section B","2012","68","1","34","39","10.1107/S0108768111053493","","","0.71073","MoKα","","0.0579","0.0281","","","0.0584","0.0764","","","","","","1.172","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105050","4.3528","0.0014","4.3528","0.0014","8.003","0.003","90","","90","","120","","131.32","0.08","296","2","296","2","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Li0.62 Zn0.87 -","- Li0.623333 Zn0.88 -","- Li3.74 Zn5.28 -","6","0.5","BP5039","Pavlyuk, Volodymyr; Chumak, Ihor; Ehrenberg, Helmut","Polymorphism of Li~2~Zn~3~","Acta Crystallographica Section B","2012","68","1","34","39","10.1107/S0108768111053493","","","0.71073","MoKα","","0.0805","0.0575","","","0.1271","0.1419","","","","","","1.266","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105051","24.917","0.003","5.506","0.001","14.242","0.002","90","","101.77","0.01","90","","1912.8","0.5","293","","293","","","","","","","","Baccu Locci mine, near Villaputzu, Sardinia, Italy","5","C 1 2/c 1","-C 2yc","15","","","Sarrabusite","- Cl4 Cu O12 Pb5 Se4 -","- Cl4 Cu O12 Pb5 Se4 -","- Cl16 Cu4 O48 Pb20 Se16 -","4","0.5","DK5002","Gemmi, Mauro; Campostrini, Italo; Demartin, Francesco; Gorelik, Tatiana E.; Gramaccioli, Carlo Maria","Structure of the new mineral sarrabusite, Pb~5~CuCl~4~(SeO~3~)~4~, solved by manual electron-diffraction tomography","Acta Crystallographica Section B","2012","68","1","15","23","10.1107/S010876811104688X","","","0.0251","electron","","0.3071","0.3069","","","0.4145","0.4145","","","","","","26.69","","","","has coordinates,has Fobs","288039","2023-12-05","14:52:25",""
"2105052","11.8237","0.0004","7.3971","0.0003","17.1526","0.0007","90","","90","","90","","1500.19","0.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","EB5012","Chan, E. J.; Goossens, D. J.","Study of the single-crystal X-ray diffuse scattering in paracetamol polymorphs","Acta Crystallographica Section B","2012","68","1","80","88","10.1107/S0108768111046295","","","0.71073","MoKα","","0.0652","0.0399","","","0.1013","0.117","","","","","","1.023","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105053","4.338","0.0001","9.7036","0.0003","15.1253","0.0005","90","","95.793","0.003","90","","633.44","0.03","293","2","293","3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 Br2 Cs2 O6 -","- C6 H4 Br2 Cs2 O6 -","- C12 H8 Br4 Cs4 O12 -","2","0.5","GP5046","Molčanov, Krešimir; Kojić-Prodić, Biserka","Face-to-face stacking of quinoid rings of alkali salts of bromanilic acid","Acta Crystallographica Section B","2012","68","1","57","65","10.1107/S0108768111051159","","","1.54179","CuKα","","","0.0741","","","","0.2038","","","","","","1.049","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105054","3.8441","0.0002","9.4171","0.0004","15.1001","0.0006","90","","96.813","0.004","90","","542.77","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 Br2 K2 O6 -","- C6 H4 Br2 K2 O6 -","- C12 H8 Br4 K4 O12 -","2","0.5","GP5046","Molčanov, Krešimir; Kojić-Prodić, Biserka","Face-to-face stacking of quinoid rings of alkali salts of bromanilic acid","Acta Crystallographica Section B","2012","68","1","57","65","10.1107/S0108768111051159","","","1.54179","CuKα","","","0.0405","","","","0.1219","","","","","","1.071","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105055","4.0228","0.0001","9.5488","0.0003","15.1307","0.0004","90","","96.521","0.002","90","","577.45","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 Br2 O6 Rb2 -","- C6 H4 Br2 O6 Rb2 -","- C12 H8 Br4 O12 Rb4 -","2","0.5","GP5046","Molčanov, Krešimir; Kojić-Prodić, Biserka","Face-to-face stacking of quinoid rings of alkali salts of bromanilic acid","Acta Crystallographica Section B","2012","68","1","57","65","10.1107/S0108768111051159","","","1.54179","CuKα","","","0.0471","","","","0.1283","","","","","","1.122","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105056","18.6351","0.0001","18.6351","0.0001","6.528","0.001","90","","90","","90","","2267","0.3","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C6 H7 Br2 O7 Rb -","- C6 H7 Br2 O7 Rb -","- C48 H56 Br16 O56 Rb8 -","8","1","GP5046","Molčanov, Krešimir; Kojić-Prodić, Biserka","Face-to-face stacking of quinoid rings of alkali salts of bromanilic acid","Acta Crystallographica Section B","2012","68","1","57","65","10.1107/S0108768111051159","","","1.54179","CuKα","","","0.0436","","","","0.1363","","","","","","1.205","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105057","18.9442","0.0001","18.9442","0.0001","6.673","0.0001","90","","90","","90","","2394.82","0.04","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C6 H7 Br2 Cs O7 -","- C6 H7 Br2 Cs O7 -","- C48 H56 Br16 Cs8 O56 -","8","1","GP5046","Molčanov, Krešimir; Kojić-Prodić, Biserka","Face-to-face stacking of quinoid rings of alkali salts of bromanilic acid","Acta Crystallographica Section B","2012","68","1","57","65","10.1107/S0108768111051159","","","1.54179","CuKα","","","0.0464","","","","0.139","","","","","","1.153","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105058","8.0223","0.0006","8.6764","0.0006","9.9131","0.0006","108.113","0.006","110.543","0.006","91.991","0.006","606.03","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 Br2 Na2 O8 -","- C6 H8 Br2 Na2 O8 -","- C12 H16 Br4 Na4 O16 -","2","1","GP5046","Molčanov, Krešimir; Kojić-Prodić, Biserka","Face-to-face stacking of quinoid rings of alkali salts of bromanilic acid","Acta Crystallographica Section B","2012","68","1","57","65","10.1107/S0108768111051159","","","1.54179","CuKα","","","0.0304","","","","0.0935","","","","","","1.031","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105059","11.6411","0.0001","7.5666","","7.4771","","90","","90","","90","","658.609","0.006","298","","298","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","Antimony (III) trioxide","","- O3 Sb2 -","- O3 Sb2 -","- O24 Sb16 -","8","2","KD5053","Orosel, Denis; Dinnebier, Robert E.; Blatov, Vladislav A.; Jansen, Martin","Structure of a new high-pressure‒high-temperature modification of antimony(III) oxide, γ-Sb~2~O~3~, from high-resolution synchrotron powder diffraction data","Acta Crystallographica Section B","2012","68","1","1","7","10.1107/S0108768111046751","powder diffraction","","0.24804","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105060","11.4802","0.0002","8.0016","0.0004","5.9363","0.0002","90","","112.317","0.0008","90","","504.46","0.03","348","","348","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cl2 H8 Mg O12 -","- Cl2 H8 Mg O12 -","- Cl4 H16 Mg2 O24 -","2","0.25","KD5057","Solovyov, Leonid A.","Revision of the Mg(ClO~4~)~2~·4H~2~O crystal structure","Acta Crystallographica Section B","2012","68","1","89","90","10.1107/S0108768111054371","powder diffraction","","1.5406","CuKα","","0.01988","","","","","","","","1.852","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105061","16.1235","0.0012","16.045","0.0011","16.3134","0.0012","83.583","0.006","96.87","0.006","95.663","0.006","4148.2","0.5","84","1","84","1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H48 B2 F8 Fe N24 -","- C24 H48 B2 F8 Fe N24 -","- C96 H192 B8 F32 Fe4 N96 -","4","2","PC5004","Kusz, Joachim; Zubko, Maciej; Neder, Reinhard B.; Gütlich, Phillipp","Structural phase transition to disorder low-temperature phase in [Fe(ptz)~6~](BF~4~)~2~ spin-crossover compounds","Acta Crystallographica Section B","2012","68","1","40","56","10.1107/S0108768111053298","","","0.71073","MoKα","","0.0992","0.0697","","","0.1844","0.2182","","","","","","1.029","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105062","16.1235","0.0012","16.045","0.0011","16.3134","0.0012","83.583","0.006","96.87","0.006","95.663","0.006","4148.2","0.5","84","1","84","1","","","","","","","","6","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","","- C24 H48 B2 F8 Fe N24 -","- C24 H48 B2 F8 Fe N24 -","- C96 H192 B8 F32 Fe4 N96 -","4","","PC5004","Kusz, Joachim; Zubko, Maciej; Neder, Reinhard B.; Gütlich, Phillipp","Structural phase transition to disorder low-temperature phase in [Fe(ptz)~6~](BF~4~)~2~ spin-crossover compounds","Acta Crystallographica Section B","2012","68","1","40","56","10.1107/S0108768111053298","","","0.71073","MoKα","","0.104","0.0742","","","0.1921","0.2236","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105063","16.3473","0.0002","16.3475","0.0002","16.3475","0.0002","81.815","0.001","98.175","0.001","98.18","0.001","4246.89","0.09","84","1","84","1","","","","","","","","6","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","","- C24 H48 B2 F8 Fe N24 -","- C24 H48 B2 F8 Fe N24 -","- C96 H192 B8 F32 Fe4 N96 -","4","","PC5004","Kusz, Joachim; Zubko, Maciej; Neder, Reinhard B.; Gütlich, Phillipp","Structural phase transition to disorder low-temperature phase in [Fe(ptz)~6~](BF~4~)~2~ spin-crossover compounds","Acta Crystallographica Section B","2012","68","1","40","56","10.1107/S0108768111053298","","","0.71073","MoKα","","0.0451","0.0323","","","0.1064","0.1184","","","","","","1.144","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105064","10.7023","0.0002","10.7023","0.0002","32.0931","0.0015","90","","90","","120","","3183.44","0.17","84","1","84","1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 Fe N24 -","- C24 H48 B2 F8 Fe N24 -","- C72 H144 B6 F24 Fe3 N72 -","3","0.166667","PC5004","Kusz, Joachim; Zubko, Maciej; Neder, Reinhard B.; Gütlich, Phillipp","Structural phase transition to disorder low-temperature phase in [Fe(ptz)~6~](BF~4~)~2~ spin-crossover compounds","Acta Crystallographica Section B","2012","68","1","40","56","10.1107/S0108768111053298","","","0.71073","MoKα","","0.0254","0.0253","","","0.0664","0.0665","","","","","","0.965","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105065","9.9555","0.001","15.0855","0.0015","17.5006","0.0019","65.258","0.006","88.309","0.005","74.854","0.004","2294.5","0.4","157","2","157","2","","","","","","","","2","P -1","-P 1","2","C60^.^4benzene","","","- C84 H24 -","- C84 H24 -","- C168 H48 -","2","1","RY5039","Olmstead, Marilyn M.; Balch, Alan L.; Lee, Hon Man","An order‒disorder phase transition in the structure of C~60~·4benzene","Acta Crystallographica Section B","2012","68","1","66","70","10.1107/S0108768111046593","","","0.71073","MoKα","","0.1874","0.1392","","","0.4371","0.4832","","","","","","1.81","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105066","9.9217","0.0013","15.044","0.002","34.807","0.004","65.371","0.007","88.254","0.005","74.912","0.004","4541.9","1","93","2","93","2","","","","","","","","2","P -1","-P 1","2","C60^.^4benzene","","","- C84 H24 -","- C84 H24 -","- C336 H96 -","4","2","RY5039","Olmstead, Marilyn M.; Balch, Alan L.; Lee, Hon Man","An order‒disorder phase transition in the structure of C~60~·4benzene","Acta Crystallographica Section B","2012","68","1","66","70","10.1107/S0108768111046593","","","0.71073","MoKα","","0.0927","0.0529","","","0.1308","0.1449","","","","","","0.983","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105067","9.8842","0.0012","15.0159","0.0019","34.691","0.004","65.377","0.003","88.098","0.003","74.812","0.002","4500.2","1","13","2","13","2","","","","","","","","2","P -1","-P 1","2","C~60~^.^4benzene","","","- C84 H24 -","- C84 H24 -","- C336 H96 -","4","2","RY5039","Olmstead, Marilyn M.; Balch, Alan L.; Lee, Hon Man","An order‒disorder phase transition in the structure of C~60~·4benzene","Acta Crystallographica Section B","2012","68","1","66","70","10.1107/S0108768111046593","","","0.71073","MoKα","","0.2018","0.0503","","","0.0636","0.0907","","","","","","0.71","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105068","5.0816","0.0006","11.0087","0.0012","14.5301","0.0016","108.935","0.008","97.042","0.009","93.092","0.009","759.24","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(6Z)-6-({[2-(hydroxymethyl)phenyl]amino}methylidene) -3,5-dimethoxycyclohexa-2,4-dien-1-one monohydrate","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C32 H38 N2 O10 -","2","1","RY5040","Karabıyık, Hasan; Karabıyık, Hande; Ocak İskeleli, Nazan","Hydrogen-bridged chelate ring-assisted π-stacking interactions","Acta Crystallographica Section B","2012","68","1","71","79","10.1107/S0108768111052608","","","0.71073","MoKα","","0.1026","0.0566","","","0.1344","0.1579","","","","","","0.965","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105069","9.021","0.002","9.021","0.002","9.369","0.004","90","","90","","120","","660.3","0.3","355","0.2","355","0.2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","pyridinium chlorochromate","","- C5 H6 Cl Cr N O3 -","- C4.98 H6 Cl Cr N1.02 O3 -","- C14.94 H18 Cl3 Cr3 N3.06 O9 -","3","0.0833333","EB5013","Małuszyńska, Hanna; Czarnecki, Piotr; Czarnecka, Anna; Pajak, Zdzisław","Structures and phase transitions in a new ferroelectric ‒ pyridinium chlorochromate ‒ studied by X-ray diffraction, DSC and dielectric methods","Acta Crystallographica Section B","2012","68","2","128","136","10.1107/S0108768112005782","","","0.71073","MoKα","","0.3315","0.0723","","","0.1673","0.2681","","","","","","0.75","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105070","8.8349","0.0012","8.8349","0.0012","9.396","0.0016","90","","90","","120","","635.15","0.16","320","0.2","320","0.2","","","","","","","","6","R 3 m :H","R 3 -2""","160","","pyridinium chlorochromate","","- C5 H6 Cl Cr N O3 -","- C4.98 H6 Cl Cr N1.02 O3 -","- C14.94 H18 Cl3 Cr3 N3.06 O9 -","3","0.166667","EB5013","Małuszyńska, Hanna; Czarnecki, Piotr; Czarnecka, Anna; Pajak, Zdzisław","Structures and phase transitions in a new ferroelectric ‒ pyridinium chlorochromate ‒ studied by X-ray diffraction, DSC and dielectric methods","Acta Crystallographica Section B","2012","68","2","128","136","10.1107/S0108768112005782","","","0.71073","MoKα","","0.1015","0.0493","","","0.1056","0.1148","","","","","","0.977","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105071","7.7193","0.0007","8.6842","0.0007","6.3139","0.0005","90","","96.25","0.009","90","","420.74","0.06","298","0.2","298","0.2","","","","","","","","6","C 1 m 1","C -2y","8","","pyridinium chlorochromate","","- C5 H6 Cl Cr N O3 -","- C5 H6 Cl Cr N O3 -","- C10 H12 Cl2 Cr2 N2 O6 -","2","0.5","EB5013","Małuszyńska, Hanna; Czarnecki, Piotr; Czarnecka, Anna; Pajak, Zdzisław","Structures and phase transitions in a new ferroelectric ‒ pyridinium chlorochromate ‒ studied by X-ray diffraction, DSC and dielectric methods","Acta Crystallographica Section B","2012","68","2","128","136","10.1107/S0108768112005782","","","0.71073","MoKα","","0.0586","0.0371","","","0.0816","0.0877","","","","","","0.819","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105072","7.3539","0.0003","8.4985","0.0003","12.9706","0.0006","90","","95.481","0.003","90","","806.92","0.06","120","0.2","120","0.2","","","","","","","","6","C 1 c 1","C -2yc","9","","pyridinium chlorochromate","","- C5 H6 Cl Cr N O3 -","- C5 H6 Cl Cr N O3 -","- C20 H24 Cl4 Cr4 N4 O12 -","4","1","EB5013","Małuszyńska, Hanna; Czarnecki, Piotr; Czarnecka, Anna; Pajak, Zdzisław","Structures and phase transitions in a new ferroelectric ‒ pyridinium chlorochromate ‒ studied by X-ray diffraction, DSC and dielectric methods","Acta Crystallographica Section B","2012","68","2","128","136","10.1107/S0108768112005782","","","0.71073","MoKα","","0.0282","0.0257","","","0.0612","0.0635","","","","","","1.047","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105073","18.8929","","24.4634","","15.7376","","90","","110.52","","90","","6812.18","","295","","295","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C50 H102 O46 S2 -","- C50 O46 S2 -","- C200 O184 S8 -","4","1","GP5045","Rácz, Csaba-Pal; Borodi, Gheorghe; Pop, Mihaela Maria; Kacso, Irina; Sánta, Szabolcs; Tomoaia-Cotisel, Maria","Structure of the inclusion complex of β-cyclodextrin with lipoic acid from laboratory powder diffraction data","Acta Crystallographica Section B","2012","68","2","164","170","10.1107/S0108768112004284","powder diffraction","x-ray","1.5405","CuKα","","","","","","","","0.12487","","5.53","","","","","","","has coordinates,has Fobs","200438","2020-10-21","18:00:00",""
"2105074","5.6777","0.0001","11.4769","0.0002","15.5289","0.0003","90","","95.974","0.002","90","","1006.4","0.03","294","1","294","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Fpp","4-Fluoro-N-(pyridin-4-yl)benzamide","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","GP5047","Mocilac, Pavle; Donnelly, Katie; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of fluoro-<i>N</i>-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships","Acta Crystallographica Section B","2012","68","2","189","203","10.1107/S0108768112006799","","","0.71073","MoKα","","0.0382","0.0337","","","0.0863","0.0898","","","","","","1.043","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105075","5.7961","0.0001","11.305","0.0002","15.2384","0.0002","90","","94.238","0.001","90","","995.76","0.03","294","1","294","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Fmp","3-Fluoro-N-(pyridin-4-yl)benzamide","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","GP5047","Mocilac, Pavle; Donnelly, Katie; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of fluoro-<i>N</i>-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships","Acta Crystallographica Section B","2012","68","2","189","203","10.1107/S0108768112006799","","","0.71073","MoKα","","0.0376","0.0341","","","0.0891","0.0922","","","","","","1.05","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105076","6.0388","0.0001","11.2502","0.0002","14.9265","0.0003","90","","95.31","0.002","90","","1009.72","0.03","294","1","294","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Fop","2-Fluoro-N-(pyridin-4-yl)benzamide","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","GP5047","Mocilac, Pavle; Donnelly, Katie; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of fluoro-<i>N</i>-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships","Acta Crystallographica Section B","2012","68","2","189","203","10.1107/S0108768112006799","","","0.71073","MoKα","","0.0444","0.0374","","","0.0975","0.103","","","","","","1.02","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105077","13.9411","0.0003","5.204","0.0001","15.0752","0.0003","90","","114.812","0.003","90","","992.74","0.04","294","1","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Fpm_O","4-Fluoro-N-(pyridin-3-yl)benzamide","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","GP5047","Mocilac, Pavle; Donnelly, Katie; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of fluoro-<i>N</i>-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships","Acta Crystallographica Section B","2012","68","2","189","203","10.1107/S0108768112006799","","","0.71073","MoKα","","0.0463","0.0415","","","0.1096","0.1135","","","","","","1.032","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105078","3.9077","0.0002","24.2444","0.0012","10.7012","0.0005","90","","95.181","0.005","90","","1009.69","0.09","294","1","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Fpm_N","4-Fluoro-N-(pyridin-3-yl)benzamide","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","GP5047","Mocilac, Pavle; Donnelly, Katie; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of fluoro-<i>N</i>-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships","Acta Crystallographica Section B","2012","68","2","189","203","10.1107/S0108768112006799","","","0.71073","MoKα","","0.112","0.0527","","","0.0944","0.1199","","","","","","0.96","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105079","11.302","0.0003","11.8371","0.0003","7.6218","0.0002","90","","90","","90","","1019.67","0.05","294","1","294","1","","","","","","","","5","P c a 21","P 2c -2ac","29","Fmm","3-Fluoro-N-(pyridin-3-yl)benzamide","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","GP5047","Mocilac, Pavle; Donnelly, Katie; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of fluoro-<i>N</i>-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships","Acta Crystallographica Section B","2012","68","2","189","203","10.1107/S0108768112006799","","","0.71073","MoKα","","0.047","0.033","","","0.0799","0.0836","","","","","","1.024","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105080","16.2051","0.0004","5.2239","0.0001","35.8162","0.0009","90","","98.405","0.003","90","","2999.41","0.12","294","1","294","1","","","","","","","","5","P 1 21 1","P 2yb","4","Fom","2-Fluoro-N-(pyridin-3-yl)benzamide","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C144 H108 F12 N24 O12 -","12","6","GP5047","Mocilac, Pavle; Donnelly, Katie; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of fluoro-<i>N</i>-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships","Acta Crystallographica Section B","2012","68","2","189","203","10.1107/S0108768112006799","","","1.54184","CuKα","","0.0658","0.0594","","","0.1686","0.1763","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105081","5.4788","0.0002","8.8223","0.0004","20.4414","0.0007","90","","92.15","0.004","90","","987.35","0.07","294","1","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Fom_F","2-Fluoro-N-(pyridin-3-yl)benzamide","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","GP5047","Mocilac, Pavle; Donnelly, Katie; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of fluoro-<i>N</i>-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships","Acta Crystallographica Section B","2012","68","2","189","203","10.1107/S0108768112006799","","","0.71073","MoKα","","0.063","0.0437","","","0.1095","0.1217","","","","","","1.046","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105082","24.3381","0.0004","7.9334","0.0001","10.8791","0.0002","90","","90","","90","","2100.58","0.06","294","1","294","1","","","","","","","","5","P b c n","-P 2n 2ab","60","Fpo","4-Fluoro-N-(pyridin-2-yl)benzamide","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C96 H72 F8 N16 O8 -","8","1","GP5047","Mocilac, Pavle; Donnelly, Katie; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of fluoro-<i>N</i>-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships","Acta Crystallographica Section B","2012","68","2","189","203","10.1107/S0108768112006799","","","0.71073","MoKα","","0.0526","0.0422","","","0.1061","0.1131","","","","","","1.037","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105083","10.4219","0.0004","10.7183","0.0004","11.0188","0.0003","102.286","0.003","97.356","0.003","117.074","0.004","1034.49","0.08","294","1","294","1","","","","","","","","5","P -1","-P 1","2","Fmo","3-Fluoro-N-(pyridin-2-yl)benzamide","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","2","GP5047","Mocilac, Pavle; Donnelly, Katie; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of fluoro-<i>N</i>-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships","Acta Crystallographica Section B","2012","68","2","189","203","10.1107/S0108768112006799","","","0.71073","MoKα","","0.0569","0.0464","","","0.1152","0.1244","","","","","","1.034","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105084","9.756","0.0004","10.7699","0.0005","11.9694","0.0002","64.412","0.004","68.453","0.004","86.091","0.004","1048.87","0.08","294","1","294","1","","","","","","","","5","P -1","-P 1","2","Foo","2-Fluoro-N-(pyridin-2-yl)benzamide","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","2","GP5047","Mocilac, Pavle; Donnelly, Katie; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of fluoro-<i>N</i>-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships","Acta Crystallographica Section B","2012","68","2","189","203","10.1107/S0108768112006799","","","0.71073","MoKα","","0.0547","0.0437","","","0.1058","0.1141","","","","","","1.037","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105085","4.53125","0.00008","5.99235","0.00008","14.7567","0.0003","88.2562","0.0012","81.6029","0.0015","81.2337","0.0013","391.747","0.012","298","","298","","","","","","","","","4","P -1","-P 1","2","TDIC","toluene-2,4-diisocyanate","","- C18 H12 N4 O4 -","- C18 H12 N4 O4 -","- C18 H12 N4 O4 -","1","0.5","KD5060","Vella-Zarb, Liana; Dinnebier, Robert E.","Form, function and functionality of two dimeric toluene-2,4-diisocyanate polymorphs","Acta Crystallographica Section B","2012","68","2","204","208","10.1107/S0108768112008592","powder diffraction","","1.54059","CuKα","","","","","","","","","","","","","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105086","9.09477","0.00008","7.45366","0.00005","12.75989","0.00016","93.5753","0.0008","99.7115","0.0006","114.005","0.0006","770.563","0.014","298","","298","","","","","","","","","4","P -1","-P 1","2","TDIC","toluene-2,4-diisocyanate","","- C18 H12 N4 O4 -","- C18 H12 N4 O4 -","- C36 H24 N8 O8 -","2","1","KD5060","Vella-Zarb, Liana; Dinnebier, Robert E.","Form, function and functionality of two dimeric toluene-2,4-diisocyanate polymorphs","Acta Crystallographica Section B","2012","68","2","204","208","10.1107/S0108768112008592","powder diffraction","","1.54059","CuKα","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105087","15.2181","0.0003","22.008","0.0003","16.0005","0.0003","90","","118.393","0.002","90","","4714.25","0.17","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C44 H42 Br5 Fe3 N6 Ni O4 -","- C44 H42 Br5 Fe3 N6 Ni O4 -","- C176 H168 Br20 Fe12 N24 Ni4 O16 -","4","1","PS5014","Guzei, Ilia; Herbst-Irmer, Regine; Munyaneza, Apollinaire; Darkwa, James","Detailed example of the identification and crystallographic analysis of a pseudo-merohedrally twinned crystal","Acta Crystallographica Section B","2012","68","2","150","157","10.1107/S0108768112002728","","","1.54178","CuKα","","0.0328","0.0319","","","0.0778","0.0783","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2105088","33.957","0.003","23.8834","0.0017","17.1688","0.0012","90","","90.079","0.001","90","","13924","1.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C75 H44 N8 O23.04 Zn5 -","- C75 H44 N8 O23.037 Zn5 -","- C600 H352 N64 O184.296 Zn40 -","8","1","SO5059","Zheng, Ran; Han, Lei; Pan, Qinhe; Christensen, Kirsten E.; Ren, Tiezhen","Two novel Zn-MOFs: structures and characterization","Acta Crystallographica Section B","2012","68","2","158","163","10.1107/S0108768112007999","","","0.6889","synchrotron","","0.0472","0.0387","","","0.0862","0.0923","","","","","","1.064","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105089","15.4925","0.0004","15.6741","0.0006","17.0388","0.0005","90","","92.353","0.003","90","","4134.1","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H22 N4 O17 Zn4 -","- C42 H22 N4 O17 Zn4 -","- C168 H88 N16 O68 Zn16 -","4","0.5","SO5059","Zheng, Ran; Han, Lei; Pan, Qinhe; Christensen, Kirsten E.; Ren, Tiezhen","Two novel Zn-MOFs: structures and characterization","Acta Crystallographica Section B","2012","68","2","158","163","10.1107/S0108768112007999","","","0.71073","MoKα","","0.1137","0.0462","","","0.066","0.0756","","","","","","0.822","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105090","13.1383","0.0012","13.1383","0.0012","20.995","0.003","90","","90","","120","","3138.5","0.6","150","2","150","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","Tris(2,2?-bipyridyl)dichlororuthenium(II) hexahydrate","","- C30 H36 Cl2 N6 O6 Ru -","- C30 H24 N6 Ru -","- C120 H96 N24 Ru4 -","4","0.166667","ZB5022","Low, Kian Sing; Cole, Jacqueline M.; Zhou, Xiaolan; Yufa, Nataliya","Rationalizing the molecular origins of Ru- and Fe-based dyes for dye-sensitized solar cells","Acta Crystallographica Section B","2012","68","2","137","149","10.1107/S0108768112009263","","","0.71073","MoKα","","0.0769","0.0614","","","0.1439","0.1529","","","","","","1.087","","","","has coordinates","288505","2023-12-22","15:12:01",""
"2105091","13.1837","0.0009","13.1837","0.0009","21.2735","0.0014","90","","90","","120","","3202.2","0.4","150","2","150","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","tris(2,2'-bipyridyl) iron(II) dithiocyanate","","- C32 H24 Fe N8 S2 -","- C30 H24 Fe N6 -","- C120 H96 Fe4 N24 -","4","0.166667","ZB5022","Low, Kian Sing; Cole, Jacqueline M.; Zhou, Xiaolan; Yufa, Nataliya","Rationalizing the molecular origins of Ru- and Fe-based dyes for dye-sensitized solar cells","Acta Crystallographica Section B","2012","68","2","137","149","10.1107/S0108768112009263","","","0.71075","MoKα","","0.0541","0.0487","","","0.1118","0.1145","","","","","","1.134","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105093","4.8431","0.0005","9.0258","0.0005","10.319","0.009","90","","100.86","0.03","90","","443","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DL-serine","2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.0421","0.0277","","","0.0622","0.0672","","","","","","1.017","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105094","4.8424","0.0006","8.9832","0.0006","10.25","0.011","90","","101.03","0.04","90","","437.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DL-serine","2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.0447","0.0314","","","0.0693","0.0743","","","","","","1.068","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105095","4.8307","0.0012","8.956","0.002","10.175","0.01","90","","101.33","0.05","90","","431.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DL-serine","2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.0608","0.0286","","","0.0437","0.0468","","","","","","0.887","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105096","4.8361","0.0005","8.9202","0.0006","10.123","0.008","90","","101.49","0.03","90","","427.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DL-serine","2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.0417","0.0309","","","0.0665","0.0704","","","","","","1.018","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105097","4.8329","0.0005","8.9119","0.0006","10.088","0.007","90","","101.58","0.03","90","","425.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DL-serine","2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.0456","0.03","","","0.0617","0.0671","","","","","","1.04","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105098","4.8235","0.0005","8.8863","0.0006","10.094","0.008","90","","101.69","0.03","90","","423.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DL-serine","2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.0399","0.0301","","","0.0647","0.0684","","","","","","1.082","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105099","4.8098","0.0004","8.8377","0.0005","9.971","0.008","90","","101.94","0.03","90","","414.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DL-serine","2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.044","0.0345","","","0.0762","0.08","","","","","","1.078","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105100","4.7926","0.0005","8.7932","0.0005","9.907","0.009","90","","102.14","0.04","90","","408.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DL-serine","2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.0429","0.0306","","","0.0674","0.0733","","","","","","1.089","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105101","4.7708","0.0006","8.7429","0.0007","9.864","0.011","90","","102.14","0.04","90","","402.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DL-serine","2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.0371","0.0286","","","0.0696","0.0732","","","","","","1.035","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105102","4.7576","0.0006","8.7046","0.0006","9.785","0.011","90","","102.25","0.04","90","","396","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DL-serine","2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.0414","0.0319","","","0.0752","0.0801","","","","","","1.121","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105103","4.7505","0.0006","8.6644","0.0006","9.725","0.011","90","","102.35","0.04","90","","391","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DL-serine","2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.0418","0.0315","","","0.0731","0.0783","","","","","","1.069","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105104","5.59","0.002","8.569","0.013","9.233","0.007","90","","90","","90","","442.3","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine","(S)-2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.1434","0.0636","","","0.1029","0.1283","","","","","","0.98","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105105","5.603","0.003","8.577","0.015","9.231","0.008","90","","90","","90","","443.6","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine","(S)-2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.1465","0.0617","","","0.1013","0.1246","","","","","","1.008","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105106","5.5885","0.0014","8.542","0.009","9.146","0.004","90","","90","","90","","436.6","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine","(S)-2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.1472","0.061","","","0.119","0.1521","","","","","","0.97","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105107","5.5741","0.0017","8.436","0.009","9.088","0.005","90","","90","","90","","427.3","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine","(S)-2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.1421","0.0649","","","0.1251","0.1541","","","","","","1.011","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105108","5.5668","0.0017","8.463","0.01","9.072","0.005","90","","90","","90","","427.4","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine","(S)-2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.1366","0.0594","","","0.1108","0.1377","","","","","","0.978","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105109","5.514","0.002","8.396","0.011","8.868","0.006","90","","90","","90","","410.5","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine","(S)-2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.126","0.0529","","","0.0903","0.1116","","","","","","0.934","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105110","5.5267","0.0018","8.366","0.01","8.812","0.005","90","","90","","90","","407.4","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine","(S)-2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.139","0.06","","","0.1006","0.1232","","","","","","0.927","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105111","5.489","0.002","8.339","0.01","8.632","0.006","90","","90","","90","","395.1","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine","(S)-2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.1581","0.0647","","","0.1204","0.1519","","","","","","0.942","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105112","5.631","0.003","6.921","0.015","9.619","0.008","90","","90","","90","","374.9","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine","(S)-2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.0979","0.0598","","","0.0767","0.0864","","","","","","1.025","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105113","4.911","0.0007","20.922","0.003","10.2744","0.0015","90","","114.586","0.01","90","","960","0.3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glutaric acid‒glycine (1/1)","Propane-1,3-dicarboxylic acid ‒ Aminoethanoic acid (1/1)","","- C7 H13 N O6 -","- C7 H13 N O6 -","- C28 H52 N4 O24 -","4","1","GP5050","Zakharov, Boris A.; Losev, Evgeniy A.; Kolesov, Boris A.; Drebushchak, Valeri A.; Boldyreva, Elena V.","Low-temperature phase transition in glycine‒glutaric acid co-crystals studied by single-crystal X-ray diffraction, Raman spectroscopy and differential scanning calorimetry","Acta Crystallographica Section B","2012","68","3","287","296","10.1107/S0108768112015972","","","0.71073","MoKα","","0.1059","0.0475","","","0.0827","0.0955","","","","","","0.888","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105114","4.9022","0.0007","20.901","0.003","10.273","0.0015","90","","114.6","0.01","90","","957","0.3","275","2","275","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glutaric acid‒glycine (1/1)","Propane-1,3-dicarboxylic acid ‒ Aminoethanoic acid (1/1)","","- C7 H13 N O6 -","- C7 H13 N O6 -","- C28 H52 N4 O24 -","4","1","GP5050","Zakharov, Boris A.; Losev, Evgeniy A.; Kolesov, Boris A.; Drebushchak, Valeri A.; Boldyreva, Elena V.","Low-temperature phase transition in glycine‒glutaric acid co-crystals studied by single-crystal X-ray diffraction, Raman spectroscopy and differential scanning calorimetry","Acta Crystallographica Section B","2012","68","3","287","296","10.1107/S0108768112015972","","","0.71073","MoKα","","0.1002","0.0431","","","0.0734","0.0854","","","","","","0.87","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105115","4.896","0.0006","20.878","0.002","10.2701","0.0013","90","","114.634","0.009","90","","954.3","0.2","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glutaric acid‒glycine (1/1)","Propane-1,3-dicarboxylic acid ‒ Aminoethanoic acid (1/1)","","- C7 H13 N O6 -","- C7 H13 N O6 -","- C28 H52 N4 O24 -","4","1","GP5050","Zakharov, Boris A.; Losev, Evgeniy A.; Kolesov, Boris A.; Drebushchak, Valeri A.; Boldyreva, Elena V.","Low-temperature phase transition in glycine‒glutaric acid co-crystals studied by single-crystal X-ray diffraction, Raman spectroscopy and differential scanning calorimetry","Acta Crystallographica Section B","2012","68","3","287","296","10.1107/S0108768112015972","","","0.71073","MoKα","","0.0917","0.0436","","","0.0751","0.0855","","","","","","0.883","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105116","4.8888","0.0006","20.859","0.002","10.2664","0.0013","90","","114.648","0.009","90","","951.5","0.2","225","2","225","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glutaric acid‒glycine (1/1)","Propane-1,3-dicarboxylic acid ‒ Aminoethanoic acid (1/1)","","- C7 H13 N O6 -","- C7 H13 N O6 -","- C28 H52 N4 O24 -","4","1","GP5050","Zakharov, Boris A.; Losev, Evgeniy A.; Kolesov, Boris A.; Drebushchak, Valeri A.; Boldyreva, Elena V.","Low-temperature phase transition in glycine‒glutaric acid co-crystals studied by single-crystal X-ray diffraction, Raman spectroscopy and differential scanning calorimetry","Acta Crystallographica Section B","2012","68","3","287","296","10.1107/S0108768112015972","","","0.71073","MoKα","","0.0834","0.0415","","","0.0727","0.0811","","","","","","0.878","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105117","4.9155","0.0007","20.215","0.003","10.1862","0.0016","85.578","0.014","113.133","0.011","88.301","0.013","926","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","glutaric acid‒glycine (1/1)","Propane-1,3-dicarboxylic acid ‒ Aminoethanoic acid (1/1)","","- C7 H13 N O6 -","- C7 H13 N O6 -","- C28 H52 N4 O24 -","4","2","GP5050","Zakharov, Boris A.; Losev, Evgeniy A.; Kolesov, Boris A.; Drebushchak, Valeri A.; Boldyreva, Elena V.","Low-temperature phase transition in glycine‒glutaric acid co-crystals studied by single-crystal X-ray diffraction, Raman spectroscopy and differential scanning calorimetry","Acta Crystallographica Section B","2012","68","3","287","296","10.1107/S0108768112015972","","","0.71073","MoKα","","0.1096","0.0491","","","0.0689","0.0805","","","","","","0.891","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105118","4.9098","0.0007","20.194","0.003","10.1777","0.0015","85.571","0.013","113.118","0.01","88.306","0.012","923.3","0.2","175","2","175","2","","","","","","","","4","P -1","-P 1","2","glutaric acid‒glycine (1/1)","Propane-1,3-dicarboxylic acid ‒ Aminoethanoic acid (1/1)","","- C7 H13 N O6 -","- C7 H13 N O6 -","- C28 H52 N4 O24 -","4","2","GP5050","Zakharov, Boris A.; Losev, Evgeniy A.; Kolesov, Boris A.; Drebushchak, Valeri A.; Boldyreva, Elena V.","Low-temperature phase transition in glycine‒glutaric acid co-crystals studied by single-crystal X-ray diffraction, Raman spectroscopy and differential scanning calorimetry","Acta Crystallographica Section B","2012","68","3","287","296","10.1107/S0108768112015972","","","0.71073","MoKα","","0.1078","0.0487","","","0.0728","0.0881","","","","","","0.889","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105119","4.9021","0.0007","20.167","0.003","10.1686","0.0015","85.54","0.011","113.122","0.01","88.27","0.011","919.7","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","glutaric acid‒glycine (1/1)","Propane-1,3-dicarboxylic acid ‒ Aminoethanoic acid (1/1)","","- C7 H13 N O6 -","- C7 H13 N O6 -","- C28 H52 N4 O24 -","4","2","GP5050","Zakharov, Boris A.; Losev, Evgeniy A.; Kolesov, Boris A.; Drebushchak, Valeri A.; Boldyreva, Elena V.","Low-temperature phase transition in glycine‒glutaric acid co-crystals studied by single-crystal X-ray diffraction, Raman spectroscopy and differential scanning calorimetry","Acta Crystallographica Section B","2012","68","3","287","296","10.1107/S0108768112015972","","","0.71073","MoKα","","0.0816","0.0392","","","0.0673","0.0767","","","","","","0.883","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105120","4.8952","0.0006","20.151","0.003","10.1585","0.0013","85.518","0.011","113.088","0.009","88.264","0.011","917","0.2","125","2","125","2","","","","","","","","4","P -1","-P 1","2","glutaric acid‒glycine (1/1)","Propane-1,3-dicarboxylic acid ‒ Aminoethanoic acid (1/1)","","- C7 H13 N O6 -","- C7 H13 N O6 -","- C28 H52 N4 O24 -","4","2","GP5050","Zakharov, Boris A.; Losev, Evgeniy A.; Kolesov, Boris A.; Drebushchak, Valeri A.; Boldyreva, Elena V.","Low-temperature phase transition in glycine‒glutaric acid co-crystals studied by single-crystal X-ray diffraction, Raman spectroscopy and differential scanning calorimetry","Acta Crystallographica Section B","2012","68","3","287","296","10.1107/S0108768112015972","","","0.71073","MoKα","","0.0764","0.0391","","","0.0679","0.0754","","","","","","0.899","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105121","4.8884","0.0007","20.136","0.003","10.1518","0.0015","85.486","0.013","113.065","0.01","88.263","0.012","914.5","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","glutaric acid‒glycine (1/1)","Propane-1,3-dicarboxylic acid ‒ Aminoethanoic acid (1/1)","","- C7 H13 N O6 -","- C7 H13 N O6 -","- C28 H52 N4 O24 -","4","2","GP5050","Zakharov, Boris A.; Losev, Evgeniy A.; Kolesov, Boris A.; Drebushchak, Valeri A.; Boldyreva, Elena V.","Low-temperature phase transition in glycine‒glutaric acid co-crystals studied by single-crystal X-ray diffraction, Raman spectroscopy and differential scanning calorimetry","Acta Crystallographica Section B","2012","68","3","287","296","10.1107/S0108768112015972","","","0.71073","MoKα","","0.103","0.0529","","","0.0821","0.0971","","","","","","0.977","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105122","8.9716","0.0005","10.3943","0.0007","31.5444","0.0012","90","","90","","90","","2941.6","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 N6 O12 S2 -","- C22 H32 N6 O12 S2 -","- C88 H128 N24 O48 S8 -","4","1","GW5017","Schürmann, C. J.; Pröpper, K.; Wagner, T.; Dittrich, B.","Invariom modeling of ceftazidime pentahydrate: molecular properties from a 200 second synchrotron microcrystal experiment","Acta Crystallographica Section B","2012","68","3","313","317","10.1107/S0108768112017831","","","0.65","monochromatedsynchrotronradiation","","0.0982","0.06","","","","0.0669","","","","","","1.5191","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105123","10.814","0.002","12.011","0.002","15.727","0.003","89.25","0.03","81.21","0.03","89.97","0.03","2018.6","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H29 N O2 -","- C22 H29 N O2 -","- C88 H116 N4 O8 -","4","2","OG5057","Johmoto, Kohei; Ishida, Takashi; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji","Relation between photochromic properties and molecular structures in salicylideneaniline crystals","Acta Crystallographica Section B","2012","68","3","297","304","10.1107/S0108768112010993","","","0.71073","MoKα","","0.0909","0.0443","","","0.1137","0.1276","","","","","","0.921","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105124","10.7505","0.0006","11.5008","0.0007","16.3284","0.0008","87.959","0.001","83.166","0.002","89.536","0.002","2003.2","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 Br N O -","- C21 H26 Br N O -","- C84 H104 Br4 N4 O4 -","4","2","OG5057","Johmoto, Kohei; Ishida, Takashi; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji","Relation between photochromic properties and molecular structures in salicylideneaniline crystals","Acta Crystallographica Section B","2012","68","3","297","304","10.1107/S0108768112010993","","","0.71075","MoKα","","0.1102","0.0425","","","0.1026","0.1425","","","","","","1.079","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105125","10.7392","0.0012","11.5369","0.0015","16.1292","0.0019","88.032","0.003","82.446","0.003","89.642","0.003","1979.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 Cl N O -","- C21 H26 Cl N O -","- C84 H104 Cl4 N4 O4 -","4","2","OG5057","Johmoto, Kohei; Ishida, Takashi; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji","Relation between photochromic properties and molecular structures in salicylideneaniline crystals","Acta Crystallographica Section B","2012","68","3","297","304","10.1107/S0108768112010993","","","0.71075","MoKα","","0.1741","0.0641","","","0.1232","0.1644","","","","","","1.02","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105126","18.0699","0.0014","10.5997","0.001","10.3838","0.0009","90","","92.858","0.002","90","","1986.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21.05 H26.14 Br N O -","- C21.048 H26.144 Br N O -","- C84.192 H104.576 Br4 N4 O4 -","4","1","OG5057","Johmoto, Kohei; Ishida, Takashi; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji","Relation between photochromic properties and molecular structures in salicylideneaniline crystals","Acta Crystallographica Section B","2012","68","3","297","304","10.1107/S0108768112010993","","","0.71075","MoKα","","0.1655","0.0589","","","0.1093","0.1466","","","","","","1.019","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105127","12.4043","0.0006","8.9918","0.0005","16.6903","0.0007","90","","90","","90","","1861.59","0.16","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H27 N O -","- C21 H27 N O -","- C84 H108 N4 O4 -","4","1","OG5057","Johmoto, Kohei; Ishida, Takashi; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji","Relation between photochromic properties and molecular structures in salicylideneaniline crystals","Acta Crystallographica Section B","2012","68","3","297","304","10.1107/S0108768112010993","","","0.71075","MoKα","","0.044","0.0388","","","0.0982","0.1009","","","","","","1.057","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105128","6.1482","0.0004","19.5491","0.0013","17.0976","0.0013","90","","109.453","0.003","90","","1937.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N O3 -","- C22 H27 N O3 -","- C88 H108 N4 O12 -","4","1","OG5057","Johmoto, Kohei; Ishida, Takashi; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji","Relation between photochromic properties and molecular structures in salicylideneaniline crystals","Acta Crystallographica Section B","2012","68","3","297","304","10.1107/S0108768112010993","","","0.71069","MoKα","","0.1058","0.0724","","","0.1815","0.2064","","","","","","1.033","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105129","4.6868","0.0001","18.9497","0.0004","12.8231","0.0002","90","","105.968","0.001","90","","1094.92","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C52 H40 Cl4 N4 O4 -","4","1","OG5057","Johmoto, Kohei; Ishida, Takashi; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji","Relation between photochromic properties and molecular structures in salicylideneaniline crystals","Acta Crystallographica Section B","2012","68","3","297","304","10.1107/S0108768112010993","","","1.54186","CuKα","","0.0646","0.0556","","","0.165","0.1698","","","","","","1.081","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105130","14.3711","0.0008","6.4227","0.0004","17.9938","0.0009","90","","116.819","0.004","90","","1482.2","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17.12 H19.35 N O -","- C17.117 H19.351 N O -","- C68.468 H77.404 N4 O4 -","4","1","OG5057","Johmoto, Kohei; Ishida, Takashi; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji","Relation between photochromic properties and molecular structures in salicylideneaniline crystals","Acta Crystallographica Section B","2012","68","3","297","304","10.1107/S0108768112010993","","","0.71075","MoKα","","0.0825","0.0572","","","0.1708","0.1895","","","","","","1.13","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105131","9.473","","11.977","","3.2377","","90","","98.71","","90","","363.107","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1457","0.0868","","","0.1273","0.1312","","","","","","5.69","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105132","9.3887","","11.968","","3.196","","90","","97.93","","90","","355.681","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1295","0.0754","","","0.0866","0.0942","","","","","","4.61","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105133","9.3174","","11.9774","","3.1597","","90","","97.1782","","90","","349.853","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1242","0.0638","","","0.0674","0.0765","","","","","","3.32","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105134","9.2363","","11.9873","","3.1205","","90","","96.1667","","90","","343.497","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.117","0.0662","","","0.0714","0.0795","","","","","","3.77","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105135","9.1834","","12.0234","","3.0886","","90","","95.7294","","90","","339.326","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1024","0.074","","","0.0899","0.0912","","","","","","4.36","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105136","9.1142","","12.0534","","3.0574","","90","","95.0321","","90","","334.583","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1291","0.0796","","","0.0859","0.0942","","","","","","4.6","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105137","12.699","","9.039","","2.9943","","90","","107.18","","90","","328.369","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1917","0.1251","","","0.167","0.1713","","","","","","7.7","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105138","12.6665","","9.0153","","2.9827","","90","","107.13","","90","","325.492","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1581","0.0919","","","0.0928","0.1007","","","","","","4.41","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105139","12.6235","","8.9926","","2.9704","","90","","107.076","","90","","322.33","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.085","0.0677","","","0.079","0.0808","","","","","","4.55","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105140","12.582","","8.965","","2.9572","","90","","107.05","","90","","318.905","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1469","0.0988","","","0.126","0.1298","","","","","","6.16","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105141","9.2295","","12.0064","","3.1155","","90","","96.3516","","90","","343.119","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1226","0.0678","","","0.0769","0.0877","","","","","","4.2","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105142","5.2006","0.0005","14.6298","0.0015","14.7246","0.0015","68.729","0.002","83.507","0.002","85.412","0.002","1036.37","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 Ag N3 O2 -","- C22 H26 Ag N3 O2 -","- C44 H52 Ag2 N6 O4 -","2","1","BP5042","Liu, Jianguo; Zeng, Xiaoyan; Li, Hua","Synthesis, structure and spectroscopic properties of a novel compound <i>bis</i>(benzylamino)silver(I) benzylcarbamate","Acta Crystallographica Section B","2012","68","4","401","406","10.1107/S0108768112030212","","","0.71073","MoKα","","0.0308","0.0267","","","0.0653","0.0675","","","","","","1.066","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105143","11.994","0.002","6.0103","0.0016","5.8421","0.0005","90","","90","","90","","421.14","0.14","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0637","0.0395","","","0.0701","0.0771","","","","","","1.033","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105144","11.938","0.003","5.9485","0.0018","5.8266","0.0006","90","","90","","90","","413.77","0.17","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0614","0.0415","","","0.0744","0.0811","","","","","","1.051","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105145","11.852","0.002","5.8715","0.0014","5.8057","0.0005","90","","90","","90","","404.01","0.12","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0605","0.0391","","","0.0634","0.0687","","","","","","1.019","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105146","11.7991","0.0015","5.7917","0.0015","5.79","0.0004","90","","90","","90","","395.67","0.12","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0497","0.0367","","","0.0629","0.0671","","","","","","1.047","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105147","11.77","0.003","5.751","0.004","5.7748","0.0008","90","","90","","90","","390.9","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0673","0.0463","","","0.0753","0.0813","","","","","","1.062","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105148","11.677","0.002","5.705","0.002","5.7311","0.0008","90","","90","","90","","381.79","0.16","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0674","0.042","","","0.0611","0.0686","","","","","","0.993","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105149","11.6535","0.0018","5.681","0.003","5.7217","0.0006","90","","90","","90","","378.8","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0562","0.0374","","","0.0543","0.0589","","","","","","1.003","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105150","11.617","0.003","5.611","0.004","5.7156","0.0015","90","","90","","90","","372.6","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0631","0.0403","","","0.0668","0.0731","","","","","","0.996","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105151","11.5877","0.0017","5.617","0.003","5.6894","0.0005","90","","90","","90","","370.3","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0595","0.04","","","0.0591","0.0634","","","","","","1.028","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105152","11.572","0.004","5.567","0.005","5.671","0.0011","90","","90","","90","","365.3","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0664","0.0411","","","0.0697","0.0777","","","","","","0.95","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105153","11.537","0.003","5.554","0.003","5.6456","0.0008","90","","90","","90","","361.8","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0599","0.0419","","","0.0715","0.0787","","","","","","1.048","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105154","11.4915","0.0017","5.5249","0.0018","5.6262","0.0005","90","","90","","90","","357.2","0.13","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0583","0.0412","","","0.0661","0.0706","","","","","","1.089","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105155","11.452","0.003","5.516","0.003","5.606","0.0007","90","","90","","90","","354.1","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0655","0.04","","","0.0635","0.0707","","","","","","0.995","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105156","6.2414","0.0012","7.2335","0.0017","11.546","0.002","105.371","0.018","101.944","0.016","91.7","0.018","489.76","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H9 F N6 O -","- C8 H9 F N6 O -","- C16 H18 F2 N12 O2 -","2","1","GP5052","Tutughamiarso, Maya; Wagner, Guido; Egert, Ernst","Cocrystals of 5-fluorocytosine. I. Coformers with fixed hydrogen-bonding sites","Acta Crystallographica Section B","2012","68","4","431","443","10.1107/S010876811202561X","","","0.71073","MoKα","","0.0955","0.072","","","0.1879","0.2098","","","","","","0.947","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105157","7.9835","0.0014","10.0664","0.0012","9.838","0.0016","90","","111.266","0.013","90","","736.8","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C24 H36 N12 O8 -","4","1","GP5052","Tutughamiarso, Maya; Wagner, Guido; Egert, Ernst","Cocrystals of 5-fluorocytosine. I. Coformers with fixed hydrogen-bonding sites","Acta Crystallographica Section B","2012","68","4","431","443","10.1107/S010876811202561X","","","0.71073","MoKα","","0.0611","0.0477","","","0.1122","0.118","","","","","","0.965","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105158","7.6548","0.0012","9.3233","0.0014","12.848","0.002","83.406","0.012","83.529","0.012","81.42","0.012","896.4","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 F2 N9 O4 -","- C14 H17 F2 N9 O4 -","- C28 H34 F4 N18 O8 -","2","1","GP5052","Tutughamiarso, Maya; Wagner, Guido; Egert, Ernst","Cocrystals of 5-fluorocytosine. I. Coformers with fixed hydrogen-bonding sites","Acta Crystallographica Section B","2012","68","4","431","443","10.1107/S010876811202561X","","","0.71073","MoKα","","0.089","0.063","","","0.1515","0.1653","","","","","","0.949","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105159","15.5508","0.0015","11.7839","0.0007","11.4971","0.0012","90","","101.66","0.008","90","","2063.4","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 F N6 O3 -","- C8 H9 F N6 O3 -","- C64 H72 F8 N48 O24 -","8","1","GP5052","Tutughamiarso, Maya; Wagner, Guido; Egert, Ernst","Cocrystals of 5-fluorocytosine. I. Coformers with fixed hydrogen-bonding sites","Acta Crystallographica Section B","2012","68","4","431","443","10.1107/S010876811202561X","","","0.71073","MoKα","","0.0506","0.0373","","","0.0911","0.0961","","","","","","0.991","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105160","8.328","0.0012","9.3484","0.0014","9.4779","0.0015","61.797","0.011","64.5","0.011","67.138","0.011","570.83","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H12 F N7 O3 -","- C8 H12 F N7 O3 -","- C16 H24 F2 N14 O6 -","2","1","GP5052","Tutughamiarso, Maya; Wagner, Guido; Egert, Ernst","Cocrystals of 5-fluorocytosine. I. Coformers with fixed hydrogen-bonding sites","Acta Crystallographica Section B","2012","68","4","431","443","10.1107/S010876811202561X","","","0.71073","MoKα","","0.0619","0.0469","","","0.1134","0.1218","","","","","","0.964","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105161","9.0866","0.0014","9.3632","0.0015","9.4019","0.0015","104.72","0.013","94.34","0.013","102.01","0.013","749.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H17 F N8 O3 -","- C11 H17 F N8 O3 -","- C22 H34 F2 N16 O6 -","2","1","GP5052","Tutughamiarso, Maya; Wagner, Guido; Egert, Ernst","Cocrystals of 5-fluorocytosine. I. Coformers with fixed hydrogen-bonding sites","Acta Crystallographica Section B","2012","68","4","431","443","10.1107/S010876811202561X","","","0.71073","MoKα","","0.1026","0.0484","","","0.0901","0.1056","","","","","","0.893","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105162","7.1894","0.0012","10.0991","0.0015","10.9953","0.0019","104.97","0.01","105.33","0.01","110.85","0.01","662.2","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H27 F2 N15 O5 -","- C19 H27 F2 N15 O5 -","- C19 H27 F2 N15 O5 -","1","0.5","GP5052","Tutughamiarso, Maya; Wagner, Guido; Egert, Ernst","Cocrystals of 5-fluorocytosine. I. Coformers with fixed hydrogen-bonding sites","Acta Crystallographica Section B","2012","68","4","431","443","10.1107/S010876811202561X","","","0.71073","MoKα","","0.0908","0.0568","","","0.1573","0.1699","","","","","","1.066","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105163","11.2283","0.0011","15.1837","0.0012","18.829","0.0017","71.262","0.007","87.187","0.008","88.46","0.007","3036.1","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H21 F2 N11 O4 -","- C15 H21 F2 N11 O4 -","- C90 H126 F12 N66 O24 -","6","3","GP5052","Tutughamiarso, Maya; Wagner, Guido; Egert, Ernst","Cocrystals of 5-fluorocytosine. I. Coformers with fixed hydrogen-bonding sites","Acta Crystallographica Section B","2012","68","4","431","443","10.1107/S010876811202561X","","","0.71073","MoKα","","0.1385","0.0598","","","0.1145","0.1393","","","","","","0.899","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105164","10.9182","0.0011","11.1666","0.0008","7.9786","0.0009","90","","108.346","0.008","90","","923.3","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N5 O3 -","- C8 H11 N5 O3 -","- C32 H44 N20 O12 -","4","1","GP5052","Tutughamiarso, Maya; Wagner, Guido; Egert, Ernst","Cocrystals of 5-fluorocytosine. I. Coformers with fixed hydrogen-bonding sites","Acta Crystallographica Section B","2012","68","4","431","443","10.1107/S010876811202561X","","","0.71073","MoKα","","0.0861","0.0575","","","0.1266","0.1398","","","","","","0.989","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105165","7.0859","0.0005","9.0414","0.0005","22.8754","0.0016","90","","98.155","0.006","90","","1450.73","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 F N8 O4 -","- C12 H15 F N8 O4 -","- C48 H60 F4 N32 O16 -","4","1","GP5052","Tutughamiarso, Maya; Wagner, Guido; Egert, Ernst","Cocrystals of 5-fluorocytosine. I. Coformers with fixed hydrogen-bonding sites","Acta Crystallographica Section B","2012","68","4","431","443","10.1107/S010876811202561X","","","0.71073","MoKα","","0.0484","0.0391","","","0.095","0.0983","","","","","","0.95","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105166","8.4065","0.0017","8.9045","0.0018","10.6441","0.0019","111.163","0.015","96.337","0.015","105.703","0.016","695.8","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H15 F N6 O4 S -","- C8 H15 F N6 O4 S -","- C16 H30 F2 N12 O8 S2 -","2","1","GP5053","Tutughamiarso, Maya; Egert, Ernst","Cocrystals of 5-fluorocytosine. II. Coformers with variable hydrogen-bonding sites","Acta Crystallographica Section B","2012","68","4","444","452","10.1107/S0108768112029977","","","0.71073","MoKα","","0.131","0.0943","","","0.2447","0.282","","","","","","0.97","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105167","11.4303","0.0012","7.1695","0.0008","8.9753","0.0011","90","","102.194","0.009","90","","718.93","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 N3 O3 -","- C6 H7 N3 O3 -","- C24 H28 N12 O12 -","4","1","GP5053","Tutughamiarso, Maya; Egert, Ernst","Cocrystals of 5-fluorocytosine. II. Coformers with variable hydrogen-bonding sites","Acta Crystallographica Section B","2012","68","4","444","452","10.1107/S0108768112029977","","","0.71073","MoKα","","0.1052","0.0608","","","0.1436","0.1604","","","","","","0.853","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105168","9.4478","0.0009","23.7171","0.0016","7.2635","0.0007","90","","96.7","0.008","90","","1616.4","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 F N6 O5 S -","- C12 H17 F N6 O5 S -","- C48 H68 F4 N24 O20 S4 -","4","1","GP5053","Tutughamiarso, Maya; Egert, Ernst","Cocrystals of 5-fluorocytosine. II. Coformers with variable hydrogen-bonding sites","Acta Crystallographica Section B","2012","68","4","444","452","10.1107/S0108768112029977","","","0.71073","MoKα","","0.06","0.0453","","","0.1055","0.1123","","","","","","1.053","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105169","4.5285","0.0007","10.1491","0.0017","12.626","0.002","75.967","0.013","89.785","0.013","82.918","0.013","558.47","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H11 F N6 O2 -","- C9 H11 F N6 O2 -","- C18 H22 F2 N12 O4 -","2","1","GP5053","Tutughamiarso, Maya; Egert, Ernst","Cocrystals of 5-fluorocytosine. II. Coformers with variable hydrogen-bonding sites","Acta Crystallographica Section B","2012","68","4","444","452","10.1107/S0108768112029977","","","0.71073","MoKα","","0.0734","0.0634","","","0.1653","0.1746","","","","","","0.957","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105170","5.1193","0.0008","9.3392","0.0015","12.4862","0.0019","97.103","0.012","93.662","0.013","95.766","0.013","587.63","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 F N6 O3 -","- C9 H13 F N6 O3 -","- C18 H26 F2 N12 O6 -","2","1","GP5053","Tutughamiarso, Maya; Egert, Ernst","Cocrystals of 5-fluorocytosine. II. Coformers with variable hydrogen-bonding sites","Acta Crystallographica Section B","2012","68","4","444","452","10.1107/S0108768112029977","","","0.71073","MoKα","","0.0975","0.05","","","0.108","0.1219","","","","","","0.783","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105171","6.9824","0.0011","9.1224","0.0014","17.651","0.003","88.329","0.012","89.875","0.012","75.513","0.012","1088.1","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H31 N9 O4 -","- C17 H31 N9 O4 -","- C34 H62 N18 O8 -","2","1","GP5053","Tutughamiarso, Maya; Egert, Ernst","Cocrystals of 5-fluorocytosine. II. Coformers with variable hydrogen-bonding sites","Acta Crystallographica Section B","2012","68","4","444","452","10.1107/S0108768112029977","","","0.71073","MoKα","","0.1191","0.0755","","","0.2138","0.2335","","","","","","1.047","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105172","27.4626","0.0004","12.1845","0.0002","40.2287","0.0006","90","","122.026","0.001","90","","11412.5","0.3","90","0.2","90","0.2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14.0001 H30 N4.0002 Ni O13.0006 -","- C280.002 H600 N80.004 Ni20 O260.012 -","20","","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.1506","0.0581","","","0.1201","0.1462","","","","","","1.106","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2105173","12.1642","0.0001","12.183","0.0001","16.0891","0.0002","90","","105.457","0.001","90","","2298.11","0.04","150","0.5","150","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","1","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.0731","0.0388","","","0.0849","0.0965","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105174","12.1419","0.0001","12.1359","0.0002","16.0351","0.0002","90.063","0.001","105.463","0.001","90.036","0.001","2277.29","0.05","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","2","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.0627","0.0385","","","0.079","0.0878","","","","","","1.04","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105175","12.146","0.0001","12.1435","0.0001","16.0428","0.0002","90.056","0.001","105.463","0.001","90.041","0.001","2280.58","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","2","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.0654","0.0401","","","0.086","0.0953","","","","","","1.043","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105176","12.1497","0.0001","12.1522","0.0002","16.0517","0.0002","90.05","0.001","105.459","0.001","90.028","0.001","2284.22","0.05","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","2","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.0677","0.0416","","","0.0905","0.1005","","","","","","1.038","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105177","12.1535","0.0001","12.1624","0.0001","16.0614","0.0002","90.036","0.001","105.464","0.001","90.026","0.001","2288.18","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","2","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.072","0.0438","","","0.0988","0.1092","","","","","","1.129","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105178","12.1559","0.0001","12.1708","0.0001","16.0713","0.0002","90.025","0.001","105.458","0.001","90.007","0.001","2291.69","0.04","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","2","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.0779","0.0489","","","0.1155","0.126","","","","","","1.304","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105179","12.1585","0.0001","12.1793","0.0001","16.0832","0.0001","90.008","0.001","105.457","0.001","89.99","0.001","2295.49","0.03","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","2","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.0876","0.0542","","","0.1291","0.1432","","","","","","1.492","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105180","12.1621","0.0002","12.189","0.0002","16.0933","0.0002","90","","105.451","0.001","90","","2299.51","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","1","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.0903","0.0426","","","0.0909","0.1071","","","","","","0.984","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105181","12.1663","0.0002","12.1968","0.0002","16.1044","0.0002","90","","105.462","0.001","90","","2303.24","0.06","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","1","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.0946","0.0429","","","0.0923","0.1095","","","","","","0.993","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105182","12.1688","0.0002","12.2058","0.0002","16.1152","0.0002","90","","105.437","0.001","90","","2307.24","0.06","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","1","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.0943","0.0427","","","0.0943","0.1123","","","","","","0.972","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105183","12.169","0.0002","12.2143","0.0002","16.1331","0.0003","90","","105.447","0.001","90","","2311.34","0.07","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","1","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.1083","0.0455","","","0.0964","0.1179","","","","","","0.972","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105184","12.1714","0.0002","12.2246","0.0002","16.1457","0.0003","90","","105.438","0.001","90","","2315.65","0.07","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","1","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.1128","0.0469","","","0.1042","0.1279","","","","","","0.975","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105185","12.1721","0.0002","12.2362","0.0002","16.1601","0.0003","90","","105.43","0.001","90","","2320.14","0.07","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","1","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.1202","0.0493","","","0.1092","0.1354","","","","","","0.978","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105186","12.1709","0.0002","12.2501","0.0002","16.1777","0.0003","90","","105.425","0.001","90","","2325.13","0.07","210","2","210","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","1","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.1283","0.0538","","","0.1284","0.1604","","","","","","0.954","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105187","12.166","0.0001","12.2684","0.0002","16.2006","0.0003","90","","105.428","0.001","90","","2330.93","0.06","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","1","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.1103","0.0621","","","0.1596","0.1808","","","","","","1.221","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105188","12.1244","0.0002","12.3469","0.0002","8.1483","0.0001","90","","105.518","0.002","90","","1175.32","0.03","243","2","243","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O12.9992 -","- C28 H60 N8 Ni2 O25.9984 -","2","0.5","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.0837","0.0411","","","0.1033","0.1207","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105189","12.1288","0.0002","12.3503","0.0002","8.1537","0.0001","90","","105.487","0.002","90","","1177.03","0.03","253","2","253","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C28 H60 N8 Ni2 O26 -","2","0.5","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.0839","0.0434","","","0.1063","0.1244","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105190","12.1431","0.0002","12.3715","0.0002","8.1677","0.0001","90","","105.405","0.002","90","","1182.94","0.03","263","2","263","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13.0008 -","- C28 H60 N8 Ni2 O26.0016 -","2","0.5","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.088","0.043","","","0.1074","0.1276","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105191","12.1511","0.0002","12.388","0.0002","8.1827","0.0001","90","","105.358","0.002","90","","1187.74","0.03","273","2","273","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C28 H60 N8 Ni2 O26 -","2","0.5","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.0907","0.0432","","","0.1106","0.1321","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105192","12.1755","0.0002","12.2435","0.0002","16.1725","0.0003","90","","105.418","0.001","90","","2324.08","0.07","210","2","210","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","1","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.0863","0.0449","","","0.1078","0.1268","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105193","12.1737","0.0002","12.2516","0.0002","16.1824","0.0003","90","","105.414","0.001","90","","2326.75","0.07","215","2","215","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","1","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.0899","0.0475","","","0.1188","0.1381","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105194","12.1722","0.0002","12.2573","0.0002","16.1891","0.0003","90","","105.412","0.001","90","","2328.53","0.07","218","2","218","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","1","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.097","0.0524","","","0.1346","0.1567","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105195","12.1701","0.0002","12.264","0.0002","16.1967","0.0003","90","","105.412","0.001","90","","2330.49","0.07","221","2","221","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","1","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.1031","0.0566","","","0.1447","0.167","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105196","12.1682","0.0002","12.2695","0.0002","16.2038","0.0003","90","","105.412","0.001","90","","2332.2","0.07","224","2","224","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","1","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.1078","0.0594","","","0.1532","0.1747","","","","","","1.14","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105197","12.1643","0.0002","12.2777","0.0002","16.2129","0.0003","90","","105.416","0.001","90","","2334.27","0.07","227","2","227","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","1","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.1175","0.0653","","","0.1687","0.1922","","","","","","1.233","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105198","12.1589","0.0002","12.2883","0.0002","16.2261","0.0003","90","","105.427","0.001","90","","2337.03","0.07","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","1","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.1332","0.0736","","","0.193","0.2175","","","","","","1.36","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105199","12.1311","0.0002","12.3391","0.0002","8.1432","0.0001","90","","105.506","0.001","90","","1174.56","0.03","243","1","243","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13.0008 -","- C28 H60 N8 Ni2 O26.0016 -","2","0.5","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.0815","0.0405","","","0.0989","0.1145","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105200","5.43867","0.00018","10.9236","0.0003","15.4564","0.0004","90","","90","","90","","918.26","0.05","300","","300","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Al K O2 -","- Al K O2 -","- Al16 K16 O32 -","16","2","KD5061","Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.","The natural tiling approach to cation conductivity in KAlO~2~ polymorphs","Acta Crystallographica Section B","2012","68","4","356","363","10.1107/S0108768112027462","powder diffraction","neutron","1.8857","neutron","","","","","","","","","","1.901","","","","","","","has coordinates","184482","2020-10-21","18:00:00",""
"2105201","5.4457","0.0003","10.9401","0.0007","15.4698","0.0009","90","","90","","90","","921.64","0.09","400","","400","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Al K O2 -","- Al K O2 -","- Al16 K16 O32 -","16","2","KD5061","Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.","The natural tiling approach to cation conductivity in KAlO~2~ polymorphs","Acta Crystallographica Section B","2012","68","4","356","363","10.1107/S0108768112027462","powder diffraction","neutron","1.8857","neutron","","","","","","","","","","1.4079","","","","","","","has coordinates","184482","2020-10-21","18:00:00",""
"2105202","5.456","0.0004","10.9617","0.0008","15.4893","0.0012","90","","90","","90","","926.37","0.12","500","","500","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Al K O2 -","- Al K O2 -","- Al16 K16 O32 -","16","2","KD5061","Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.","The natural tiling approach to cation conductivity in KAlO~2~ polymorphs","Acta Crystallographica Section B","2012","68","4","356","363","10.1107/S0108768112027462","powder diffraction","neutron","1.8857","neutron","","","","","","","","","","1.5508","","","","","","","has coordinates","184482","2020-10-21","18:00:00",""
"2105203","5.4668","0.0004","10.9862","0.0009","15.5103","0.0014","90","","90","","90","","931.54","0.13","600","","600","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Al K O2 -","- Al K O2 -","- Al16 K16 O32 -","16","2","KD5061","Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.","The natural tiling approach to cation conductivity in KAlO~2~ polymorphs","Acta Crystallographica Section B","2012","68","4","356","363","10.1107/S0108768112027462","powder diffraction","neutron","1.8857","neutron","","","","","","","","","","1.4074","","","","","","","has coordinates","184482","2020-10-21","18:00:00",""
"2105204","5.4788","0.0005","11.0123","0.0011","15.5359","0.0018","90","","90","","90","","937.35","0.17","700","","700","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Al K O2 -","- Al K O2 -","- Al16 K16 O32 -","16","2","KD5061","Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.","The natural tiling approach to cation conductivity in KAlO~2~ polymorphs","Acta Crystallographica Section B","2012","68","4","356","363","10.1107/S0108768112027462","powder diffraction","neutron","1.8857","neutron","","","","","","","","","","1.4794","","","","","","","has coordinates","184482","2020-10-21","18:00:00",""
"2105205","5.4888","0.0002","11.0346","0.0004","15.5598","0.0005","90","","90","","90","","942.41","0.06","773","","773","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Al K O2 -","- Al K O2 -","- Al16 K16 O32 -","16","2","KD5061","Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.","The natural tiling approach to cation conductivity in KAlO~2~ polymorphs","Acta Crystallographica Section B","2012","68","4","356","363","10.1107/S0108768112027462","powder diffraction","neutron","1.8857","neutron","","","","","","","","","","5.9903","","","","","","","has coordinates","184482","2020-10-21","18:00:00",""
"2105206","7.8033","0.0006","7.8033","0.0006","7.8033","0.0006","90","","90","","90","","475.15","0.06","833","","833","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al K O2 -","- Al K O1.99992 -","- Al8 K8 O15.9994 -","8","0.0416667","KD5061","Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.","The natural tiling approach to cation conductivity in KAlO~2~ polymorphs","Acta Crystallographica Section B","2012","68","4","356","363","10.1107/S0108768112027462","powder diffraction","neutron","1.8857","neutron","","","","","","","","","","2.3356","","","","","","","has coordinates","184482","2020-10-21","18:00:00",""
"2105207","7.8179","0.0005","7.8179","0.0005","7.8179","0.0005","90","","90","","90","","477.83","0.05","923","","923","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al K O2 -","- Al K O1.99992 -","- Al8 K8 O15.9994 -","8","0.0416667","KD5061","Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.","The natural tiling approach to cation conductivity in KAlO~2~ polymorphs","Acta Crystallographica Section B","2012","68","4","356","363","10.1107/S0108768112027462","powder diffraction","neutron","1.8857","neutron","","","","","","","","","","1.3356","","","","","","","has coordinates","184482","2020-10-21","18:00:00",""
"2105208","7.8329","0.0003","7.8329","0.0003","7.8329","0.0003","90","","90","","90","","480.58","0.03","1023","","1023","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al K O2 -","- Al K O2 -","- Al8 K8 O16 -","8","0.0416667","KD5061","Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.","The natural tiling approach to cation conductivity in KAlO~2~ polymorphs","Acta Crystallographica Section B","2012","68","4","356","363","10.1107/S0108768112027462","powder diffraction","neutron","1.8857","neutron","","","","","","","","","","1.3356","","","","","","","has coordinates","184482","2020-10-21","18:00:00",""
"2105209","7.67982","0.00019","9.717","0.0003","4.82857","0.00013","96.0388","0.001","106.806","0.0008","96.094","0.001","339.478","0.016","293","","293","","","","","","","","","3","P 1","P 1","1","L-arabinitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C10 H24 O10 -","2","2","PS5016","Derollez, Patrick; Guinet, Yannick; Affouard, Frédéric; Danède, Florence; Carpentier, Laurent; Hédoux, Alain","Structure determination of <small>L</small>-arabinitol by powder X-ray diffraction","Acta Crystallographica Section B","2012","68","4","407","411","10.1107/S0108768112019994","powder diffraction","","1.5406","CuKα","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105210","20.143","0.0011","10.9691","0.0004","8.2747","0.0004","90","","90","","90","","1828.3","0.15","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C8 H12 Br N O -","- C8 H12 Br N O -","- C64 H96 Br8 N8 O8 -","8","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0477","0.0225","","","0.0492","0.0525","","","","","","0.896","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105211","5.1194","0.0002","9.0278","0.0002","20.1089","0.0006","90","","90","","90","","929.37","0.05","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 I N O -","- C8 H12 I N O -","- C32 H48 I4 N4 O4 -","4","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0198","0.0175","","","0.035","0.0353","","","","","","0.981","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105212","11.9981","0.0007","7.2291","0.0005","24.6145","0.0013","90","","90","","90","","2135","0.2","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H14 B F4 N O2 -","- C8 H14 B F4 N O2 -","- C64 H112 B8 F32 N8 O16 -","8","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0751","0.0394","","","0.0855","0.0925","","","","","","0.989","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105213","7.3939","0.0003","25.1222","0.0011","11.6847","0.0004","90","","90.896","0.003","90","","2170.18","0.15","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 Cl N O6 -","- C8 H14 Cl N O6 -","- C64 H112 Cl8 N8 O48 -","8","2","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.1044","0.05","","","0.1037","0.1138","","","","","","0.911","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105214","11.0446","0.0009","8.0666","0.0005","29.755","0.002","90","","90","","90","","2650.9","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H18 N O7 P -","- C8 H18 N O7 P -","- C64 H144 N8 O56 P8 -","8","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0975","0.0711","","","0.1375","0.1531","","","","","","1.143","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105215","5.0262","0.0001","10.0739","0.0002","21.7126","0.0005","90","","90","","90","","1099.38","0.04","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 N O4 S -","- C9 H15 N O4 S -","- C36 H60 N4 O16 S4 -","4","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0334","0.0269","","","0.0537","0.0548","","","","","","0.969","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105216","10.4454","0.0002","20.6788","0.0003","10.8374","0.0002","90","","91.198","0.002","90","","2340.35","0.07","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 N O4 S -","- C10 H17 N O4 S -","- C80 H136 N8 O32 S8 -","8","2","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0607","0.0317","","","0.0658","0.0693","","","","","","0.849","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105217","9.5614","0.0003","9.5543","0.0003","22.7766","0.0007","90","","90","","90","","2080.7","0.11","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H28 N2 O8 S2 -","- C18 H28 N2 O8 S2 -","- C72 H112 N8 O32 S8 -","4","0.5","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0481","0.0312","","","0.0724","0.0757","","","","","","0.953","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2105218","7.7244","0.0002","11.1889","0.0002","17.4253","0.0004","90","","90","","90","","1506.03","0.06","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O5 S -","- C14 H19 N O5 S -","- C56 H76 N4 O20 S4 -","4","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0386","0.0319","","","0.0693","0.0725","","","","","","1.049","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105219","7.6261","0.0005","34.974","0.002","10.9159","0.0006","90","","90","","90","","2911.4","0.3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N O5.5 S -","- C14 H18 N O5.5 S -","- C112 H144 N8 O44 S8 -","8","2","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0818","0.0393","","","0.0446","0.0484","","","","","","0.751","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105220","10.8685","0.0003","12.0279","0.0002","11.0849","0.0003","90","","110.752","0.003","90","","1355.06","0.06","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","2","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0344","0.0293","","","0.0637","0.0648","","","","","","1.023","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105221","10.8086","0.0003","7.7675","0.0002","16.3408","0.0005","90","","93.829","0.002","90","","1368.84","0.07","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0523","0.0346","","","0.0772","0.0804","","","","","","1.033","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105222","10.9819","0.0008","12.2053","0.0006","10.9963","0.0008","90","","111.243","0.008","90","","1373.77","0.17","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H16 F N O3 -","- C15 H16 F N O3 -","- C60 H64 F4 N4 O12 -","4","2","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0508","0.0349","","","0.0601","0.0625","","","","","","0.85","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105223","11.2539","0.0011","12.4279","0.001","11.6172","0.0011","90","","116.306","0.012","90","","1456.5","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cl N O3 -","- C15 H16 Cl N O3 -","- C60 H64 Cl4 N4 O12 -","4","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0875","0.0488","","","0.0767","0.082","","","","","","0.915","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105224","11.4527","0.0008","12.2496","0.0005","11.6217","0.0008","90","","116.74","0.009","90","","1456.06","0.19","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0736","0.0388","","","0.0782","0.0832","","","","","","0.877","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105225","47.614","0.006","5.1616","0.0005","25.552","0.002","90","","96.136","0.011","90","","6243.8","1.1","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H16 N2 O5 -","- C15 H16 N2 O5 -","- C240 H256 N32 O80 -","16","2","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0936","0.0425","","","0.091","0.1031","","","","","","0.842","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105226","11.4897","0.0004","11.4386","0.0003","10.8605","0.0003","90","","107.525","0.004","90","","1361.1","0.08","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 F N O3 -","- C15 H16 F N O3 -","- C60 H64 F4 N4 O12 -","4","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0561","0.0358","","","0.0839","0.0883","","","","","","0.949","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105227","24.856","0.009","8.1013","0.0009","19.464","0.007","90","","133.43","0.06","90","","2846","3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H16 Cl N O3 -","- C15 H16 Cl N O3 -","- C120 H128 Cl8 N8 O24 -","8","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0785","0.0458","","","0.1146","0.1214","","","","","","1.025","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105228","8.1593","0.001","8.7185","0.0009","10.6386","0.0011","85.706","0.008","76.2","0.009","63.787","0.011","658.96","0.14","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C30 H34 N2 O8 -","2","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.054","0.0369","","","0.0822","0.086","","","","","","0.94","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105229","12.8638","0.0003","18.4891","0.0004","12.5939","0.0002","90","","97.301","0.002","90","","2971.05","0.11","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C128 H152 N8 O24 -","8","2","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0763","0.0435","","","0.102","0.1098","","","","","","0.985","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105230","10.4944","0.0004","11.592","0.0005","12.0885","0.0005","90","","93.465","0.004","90","","1467.89","0.1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O5 -","- C15 H16 N2 O5 -","- C60 H64 N8 O20 -","4","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0429","0.033","","","0.082","0.0845","","","","","","1.035","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105231","11.5082","0.0003","11.2844","0.0003","10.9033","0.0003","90","","107.037","0.003","90","","1353.8","0.07","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0511","0.0395","","","0.0892","0.0957","","","","","","1.027","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105232","11.9993","0.0019","11.3322","0.0018","10.7542","0.0018","90","","109.754","0.019","90","","1376.3","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 F N O3 -","- C15 H16 F N O3 -","- C60 H64 F4 N4 O12 -","4","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.1071","0.0382","","","0.0567","0.0637","","","","","","0.746","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105233","15.8566","0.0004","17.5993","0.0004","22.0881","0.0003","105.676","0.001","96.763","0.001","99.335","0.001","5770.8","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 Cl N O3 -","- C15 H16 Cl N O3 -","- C240 H256 Cl16 N16 O48 -","16","8","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.1545","0.101","","","0.2413","0.2652","","","","","","1.114","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105234","9.9745","0.0002","15.1624","0.0004","18.6406","0.0004","76.3","0.002","86.48","0.002","84.892","0.002","2725.7","0.11","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C120 H136 N8 O32 -","8","4","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0723","0.0364","","","0.0734","0.0794","","","","","","0.885","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105235","11.4797","0.0003","11.3596","0.0002","11.0501","0.0003","90","","104.932","0.002","90","","1392.33","0.06","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0471","0.035","","","0.0894","0.0925","","","","","","1.096","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105236","7.0796","0.001","6.1784","0.0014","67.751","0.007","90","","92.518","0.006","90","","2960.6","0.8","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O5 -","- C15 H16 N2 O5 -","- C120 H128 N16 O40 -","8","2","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.6889","synchrotron","","0.1182","0.0885","","","0.2664","0.3083","","","","","","1.093","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105237","7.6924","0.0003","5.6856","0.0002","27.9377","0.0008","90","","103.047","0.002","90","","1190.34","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N O5 -","- C12 H15 N O5 -","- C48 H60 N4 O20 -","4","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.057","0.0424","","","0.1145","0.1236","","","","","","1.085","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105238","13.3025","0.0002","7.8609","0.0001","11.3441","0.0002","90","","106.174","0.002","90","","1139.3","0.03","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N O5 -","- C11 H15 N O5 -","- C44 H60 N4 O20 -","4","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0353","0.0313","","","0.0866","0.0878","","","","","","1.088","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105239","8.8784","0.0004","8.9774","0.0004","9.4687","0.0005","116.911","0.005","97.833","0.004","91.099","0.004","663.9","0.06","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H34 N2 O12 -","- C24 H34 N2 O12 -","- C24 H34 N2 O12 -","1","0.5","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0478","0.0332","","","0.0761","0.0787","","","","","","0.958","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105240","11.4936","0.0005","7.5497","0.0003","12.5154","0.0008","90","","99.865","0.005","90","","1069.94","0.09","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 N2 O8 -","- C20 H32 N2 O8 -","- C40 H64 N4 O16 -","2","0.5","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0692","0.0354","","","0.0614","0.0658","","","","","","0.839","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105241","8.6247","0.0003","15.1897","0.0006","8.7588","0.0003","90","","93.826","0.003","90","","1144.9","0.07","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 N2 O8 -","- C22 H36 N2 O8 -","- C44 H72 N4 O16 -","2","0.5","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0479","0.0385","","","0.0876","0.0919","","","","","","1.039","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105242","21.1097","0.0018","5.9615","0.0004","24.6027","0.0019","90","","105.911","0.008","90","","2977.5","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H43 N2 O10.5 -","- C28 H43 N2 O10.5 -","- C112 H172 N8 O42 -","4","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.1409","0.0971","","","0.1642","0.1787","","","","","","1.284","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2105243","11.8909","0.0006","7.7956","0.0004","11.9547","0.0006","90","","100.16","0.005","90","","1090.78","0.1","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H32 N2 O9 -","- C20 H32 N2 O9 -","- C40 H64 N4 O18 -","2","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0446","0.0339","","","0.074","0.0769","","","","","","0.964","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105244","7.636","0.0003","30.0364","0.0013","6.2787","0.0002","90","","90","","90","","1440.07","0.1","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H19 N O7 -","- C12 H19 N O7 -","- C48 H76 N4 O28 -","4","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0405","0.0302","","","0.0577","0.0593","","","","","","0.897","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105245","11.6895","0.0003","7.7596","0.0002","12.3238","0.0003","90","","100.013","0.002","90","","1100.81","0.05","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H32 N2 O10 -","- C20 H32 N2 O10 -","- C40 H64 N4 O20 -","2","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0298","0.0279","","","0.067","0.0681","","","","","","1.045","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105246","7.2647","0.0005","7.9475","0.0006","12.5853","0.001","77.231","0.003","85.33","0.005","79.854","0.005","696.89","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H19 N O8 -","- C12 H19 N O8 -","- C24 H38 N2 O16 -","2","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0891","0.0578","","","0.1024","0.1128","","","","","","1.104","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105247","8.911","0.0007","8.3625","0.0006","9.6575","0.0008","90","","91.246","0.007","90","","719.49","0.1","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C32 H38 N2 O8 -","2","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0703","0.0358","","","0.046","0.0495","","","","","","0.749","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105248","6.4446","0.0003","10.1143","0.0005","12.2128","0.0006","91.239","0.004","99.455","0.004","96.794","0.004","779.05","0.07","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C32 H38 N2 O8 -","2","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.1297","0.0567","","","0.1154","0.1336","","","","","","0.939","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105249","8.1891","0.001","28.5294","0.0013","42.98","0.02","90","","94.896","0.008","90","","10005","5","293","","293","","","","","","","","Pollone mine, Tuscany, Italy","9","P 1 21/n 1","-P 2yn","14","Ag2 As7 Cu1.5 Pb19 S56 Sb16.5","","Sterryite","- Ag1.86 As7.06 Bi0.1 Cu1.73 Hg0.24 Pb19.13 S56 Sb16.47 Tl0.24 -","- Ag1.86 As7.06 Bi0.1 Cu1.73 Hg0.24 Pb19.13 S56 Sb16.47 Tl0.24 -","- Ag7.44 As28.24 Bi0.4 Cu6.92 Hg0.96 Pb76.52 S224 Sb65.88 Tl0.96 -","4","1","BP5041","Moëlo, Yves; Guillot-Deudon, Catherine; Evain, Michel; Orlandi, Paolo; Biagioni, Cristian","Comparative modular analysis of two complex sulfosalt structures: sterryite, Cu(Ag,Cu)~3~Pb~19~(Sb,As)~22~(As–As)S~56~, and parasterryite, Ag~4~Pb~20~(Sb,As)~24~S~58~","Acta Crystallographica Section B","2012","68","5","480","492","10.1107/S0108768112034027","","","0.71069","MoKα","","0.2043","0.1353","","","0.1641","0.1696","","","","","","3.16","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:33",""
"2105250","8.3965","0.0005","27.954","0.007","43.884","0.013","90","","90.061","0.012","90","","10300","4","293","","293","","","","","","","","Pollone mine, Tuscany, Italy","5","P 1 21/c 1","-P 2ybc","14","","Parasterryite","Parasterryite","- Ag4 As10.23 Pb20.21 S58 Sb13.56 -","- Ag4 As10.23 Pb20.21 S58 Sb13.56 -","- Ag16 As40.92 Pb80.84 S232 Sb54.24 -","4","1","BP5041","Moëlo, Yves; Guillot-Deudon, Catherine; Evain, Michel; Orlandi, Paolo; Biagioni, Cristian","Comparative modular analysis of two complex sulfosalt structures: sterryite, Cu(Ag,Cu)~3~Pb~19~(Sb,As)~22~(As–As)S~56~, and parasterryite, Ag~4~Pb~20~(Sb,As)~24~S~58~","Acta Crystallographica Section B","2012","68","5","480","492","10.1107/S0108768112034027","","","0.71069","MoKα","","0.1566","0.0661","","","0.1239","0.1643","","","","","","1.35","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:33",""
"2105251","5.7534","0.0001","5.7534","0.0001","46.389","0.001","90","","90","","120","","1329.83","0.04","347.15","","347.15","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","Carbonated calcium hemicarboaluminate","Tetracalcium dialuminium dodecahydroxide hemicarbonate hydroxide n-hydrate","","- C0.4 Al Ca2 O9.2 -","- C0.4 Al Ca2 O9.2 -","- C2.4 Al6 Ca12 O55.2 -","6","0.166667","EB5017","Runčevski, Tomče; Dinnebier, Robert E.; Magdysyuk, Oxana V.; Pöllmann, Herbert","Crystal structures of calcium hemicarboaluminate and carbonated calcium hemicarboaluminate from synchrotron powder diffraction data","Acta Crystallographica Section B","2012","68","5","493","500","10.1107/S010876811203042X","powder diffraction","","0.8264","Synchrotron","","","","","","","","","","6.33","","","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105252","5.7757","0.0001","5.7757","0.0001","48.812","0.002","90","","90","","120","","1410.15","0.07","297.15","","297.15","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","Calcium hemicarboaluminate","Tetracalcium dialuminium dodecahydroxide hemicarbonate hydroxide n-hydrate","","- C0.25 Al Ca2 O9.25 -","- C0.25 Al Ca2 O9.24998 -","- C1.5 Al6 Ca12 O55.4999 -","6","0.166667","EB5017","Runčevski, Tomče; Dinnebier, Robert E.; Magdysyuk, Oxana V.; Pöllmann, Herbert","Crystal structures of calcium hemicarboaluminate and carbonated calcium hemicarboaluminate from synchrotron powder diffraction data","Acta Crystallographica Section B","2012","68","5","493","500","10.1107/S010876811203042X","powder diffraction","","0.8264","Synchrotron","","","","","","","","","","5.233","","","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105253","21.622","0.004","16.8","0.003","16.317","0.003","90","","119.628","0.004","90","","5152.2","1.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H25.5 Gd N4.5 O12 -","- C21 H25.5 Gd N4.5 O12 -","- C168 H204 Gd8 N36 O96 -","8","1","HW5022","Davies, Kate; Bourne, Susan A.; Öhrström, Lars; Oliver, Clive L.","Topological studies of three related metal-organic frameworks of Gd^III^ and 5-nitroisophthalate","Acta Crystallographica Section B","2012","68","5","528","535","10.1107/S0108768112032053","","","0.71073","MoKα","","0.024","0.0193","","","0.0484","0.0507","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2105254","24.9427","0.0002","16.9411","0.0002","25.2889","0.0002","90","","105.208","0.001","90","","10311.8","0.18","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H42.35 Gd2 N7 O24.67 -","- C36 H37 Gd2 N7 O24.68 -","- C288 H296 Gd16 N56 O197.44 -","8","1","HW5022","Davies, Kate; Bourne, Susan A.; Öhrström, Lars; Oliver, Clive L.","Topological studies of three related metal-organic frameworks of Gd^III^ and 5-nitroisophthalate","Acta Crystallographica Section B","2012","68","5","528","535","10.1107/S0108768112032053","","","0.71073","MoKα","","0.0538","0.0402","","","0.104","0.1139","","","","","","1.13","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105255","14.3239","0.0017","15.3167","0.0018","25.468","0.003","87.994","0.002","85.151","0.002","63.419","0.002","4979.1","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C76.5 H92.5 Gd4 N15.5 O49.5 -","- C76.5 H88.5 Gd4 N15.5 O49.5 -","- C153 H177 Gd8 N31 O99 -","2","1","HW5022","Davies, Kate; Bourne, Susan A.; Öhrström, Lars; Oliver, Clive L.","Topological studies of three related metal-organic frameworks of Gd^III^ and 5-nitroisophthalate","Acta Crystallographica Section B","2012","68","5","528","535","10.1107/S0108768112032053","","","0.71073","MoKα","","0.0576","0.048","","","0.1141","0.1216","","","","","","1.127","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2105256","3.9506","0.0012","8.264","0.003","12.045","0.004","78.842","0.004","83.18","0.004","86.99","0.004","382.9","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","5,6-dimethylbenzfurazan 1-oxide, polymorph Z2","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C16 H16 N4 O4 -","2","1","PS5015","Britton, Doyle; Young, Jr, Victor G.; Noland, Wayland E.; Pinnow, Matthew J.; Clark, Christopher M.","Four polymorphs (polytypes) of 5,6-dimethylbenzofurazan 1-oxide","Acta Crystallographica Section B","2012","68","5","536","542","10.1107/S0108768112037457","","","0.71073","MoKα","","0.0692","0.0559","","","0.1463","0.1558","","","","","","1.095","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105257","7.3643","0.0009","9.0332","0.0011","11.6675","0.0014","89.264","0.002","83.419","0.002","87.027","0.002","769.99","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","5,6-benzfurazan 1-oxide, polymorph Z4","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C32 H32 N8 O8 -","4","2","PS5015","Britton, Doyle; Young, Jr, Victor G.; Noland, Wayland E.; Pinnow, Matthew J.; Clark, Christopher M.","Four polymorphs (polytypes) of 5,6-dimethylbenzofurazan 1-oxide","Acta Crystallographica Section B","2012","68","5","536","542","10.1107/S0108768112037457","","","0.71073","MoKα","","0.0818","0.0486","","","0.1251","0.1396","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105258","9.007","0.0011","11.1331","0.0013","12.9526","0.0015","65.173","0.002","80.629","0.002","79.862","0.002","1154.6","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","5,6-benzfurazan 1-oxide, polymorph Z6","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C48 H48 N12 O12 -","6","3","PS5015","Britton, Doyle; Young, Jr, Victor G.; Noland, Wayland E.; Pinnow, Matthew J.; Clark, Christopher M.","Four polymorphs (polytypes) of 5,6-dimethylbenzofurazan 1-oxide","Acta Crystallographica Section B","2012","68","5","536","542","10.1107/S0108768112037457","","","0.71073","MoKα","","0.0762","0.0515","","","0.1429","0.1676","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105259","9.0136","0.0018","13.064","0.003","16.567","0.003","95.055","0.004","97.969","0.004","90.742","0.004","1923.8","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","5,6-benzfurazan 1-oxide - polymorph Z10","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C80 H80 N20 O20 -","10","5","PS5015","Britton, Doyle; Young, Jr, Victor G.; Noland, Wayland E.; Pinnow, Matthew J.; Clark, Christopher M.","Four polymorphs (polytypes) of 5,6-dimethylbenzofurazan 1-oxide","Acta Crystallographica Section B","2012","68","5","536","542","10.1107/S0108768112037457","","","0.71073","MoKα","","0.1925","0.1143","","","0.2661","0.3381","","","","","","0.969","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105260","11.744","0.004","7.601","0.003","18.102","0.006","90","","90","","90","","1615.9","1","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4,5-dimethylphthalic anhydride","","- C10 H8 O3 -","- C10 H8 O3 -","- C80 H64 O24 -","8","1","PS5015","Britton, Doyle; Young, Jr, Victor G.; Noland, Wayland E.; Pinnow, Matthew J.; Clark, Christopher M.","Four polymorphs (polytypes) of 5,6-dimethylbenzofurazan 1-oxide","Acta Crystallographica Section B","2012","68","5","536","542","10.1107/S0108768112037457","","","0.71073","MoKα","","0.0347","0.0333","","","0.0972","0.0986","","","","","","1.055","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105261","9.6452","0.0002","9.6452","0.0002","6.7636","0.0002","90","","90","","120","","544.92","0.02","293","2","293","2","","","","","","","synthesis as described","4","P 63/m","-P 6c","176","chlorapatite","chlorapatite","","- Ca5 Cl O12 P3 -","- Ca5 Cl O12 P3 -","- Ca10 Cl2 O24 P6 -","2","0.166667","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0313","0.0224","","","0.0525","0.0561","","","","","","1.077","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105262","9.6434","0.0002","9.6434","0.0002","6.7643","0.0002","90","","90","","120","","544.77","0.02","293","2","293","2","","","","","","","synthesis as described","4","P 63/m","-P 6c","176","chlorapatite","chlorapatite","","- Ca5 Cl O12 P3 -","- Ca5 Cl O12 P3 -","- Ca10 Cl2 O24 P6 -","2","0.166667","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0179","0.0171","","","0.045","0.0458","","","","","","1.108","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105263","9.643","0.0002","9.643","0.0002","6.762","0.0001","90","","90","","120","","544.54","0.018","293","2","293","2","","","","","","","synthesis as described","4","P 63/m","-P 6c","176","chlorapatite","chlorapatite","","- Ca5 Cl O12 P3 -","- Ca5 Cl O12 P3 -","- Ca10 Cl2 O24 P6 -","2","0.166667","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0176","0.0173","","","0.0449","0.0451","","","","","","1.183","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105264","9.6414","0.0002","9.6414","0.0002","6.7631","0.0002","90","","90","","120","","544.45","0.02","293","2","293","2","","","","","","","synthesis as described","4","P 63/m","-P 6c","176","chlorapatite","chlorapatite","","- Ca5 Cl O12 P3 -","- Ca5 Cl O12 P3 -","- Ca10 Cl2 O24 P6 -","2","0.166667","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.018","0.0173","","","0.0514","0.052","","","","","","1.119","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105265","9.6368","0.0002","9.6368","0.0002","6.7482","0.0002","90","","90","","120","","542.73","0.02","100","2","100","2","","","","","","","synthesis as described","4","P 63/m","-P 6c","176","chlorapatite","chlorapatite","","- Ca5 Cl O12 P3 -","- Ca5 Cl O12 P3 -","- Ca10 Cl2 O24 P6 -","2","0.166667","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0213","0.0161","","","0.0359","0.038","","","","","","1.098","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105266","9.6341","0.0001","9.6341","0.0001","6.7445","0.0002","90","","90","","120","","542.129","0.018","100","2","100","2","","","","","","","synthesis as described","4","P 63/m","-P 6c","176","chlorapatite","chlorapatite","","- Ca5 Cl O12 P3 -","- Ca5 Cl O12 P3 -","- Ca10 Cl2 O24 P6 -","2","0.166667","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0229","0.0228","","","0.0604","0.0604","","","","","","1.295","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105267","9.634","0.0002","9.634","0.0002","6.744","0.0003","90","","90","","120","","542.08","0.03","100","2","100","2","","","","","","","synthesis as described","4","P 63/m","-P 6c","176","chlorapatite","chlorapatite","","- Ca5 Cl O12 P3 -","- Ca5 Cl O12 P3 -","- Ca10 Cl2 O24 P6 -","2","0.166667","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0291","0.0289","","","0.0811","0.0812","","","","","","1.37","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105268","9.6343","0.0001","9.6343","0.0001","6.743","0.0001","90","","90","","120","","542.031","0.011","100","2","100","2","","","","","","","synthesis as described","4","P 63/m","-P 6c","176","chlorapatite","chlorapatite","","- Ca5 Cl O12 P3 -","- Ca5 Cl O12 P3 -","- Ca10 Cl2 O24 P6 -","2","0.166667","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0161","0.0146","","","0.0357","0.0365","","","","","","1.048","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105269","9.641","0.0002","6.762","0.0003","19.285","0.0006","90","","119.984","0.001","90","","1088.97","0.06","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca5 Cl O12 P3 -","- Ca5 Cl O12 P3 -","- Ca20 Cl4 O48 P12 -","4","1","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0364","0.023","","","0.0663","0.0725","","","","","","1.103","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2105270","9.643","0.0003","6.7641","0.0002","19.2882","0.0006","90","","120.003","0.001","90","","1089.51","0.06","293","2","298","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca5 Cl O12 P3 -","- Ca5 Cl O12 P3 -","- Ca20 Cl4 O48 P12 -","4","1","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0369","0.0232","","","0.0666","0.0755","","","","","","1.059","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2105271","9.6434","0.0003","6.7635","0.0002","19.2846","0.0006","90","","119.965","0.002","90","","1089.67","0.06","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca5 Cl O12 P3 -","- Ca5 Cl O12 P3 -","- Ca20 Cl4 O48 P12 -","4","1","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.1022","0.0387","","","0.0916","0.1093","","","","","","1.016","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2105272","9.6397","0.0004","6.7657","0.0003","19.2731","0.0009","90","","119.984","0.003","90","","1088.75","0.09","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca5 Cl O12 P3 -","- Ca5 Cl O12 P3 -","- Ca20 Cl4 O48 P12 -","4","1","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0426","0.0218","","","0.0675","0.0763","","","","","","0.895","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2105273","9.637","0.0003","6.7479","0.0002","19.2702","0.0007","90","","120.002","0.001","90","","1085.22","0.06","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca5 Cl O12 P3 -","- Ca5 Cl O12 P3 -","- Ca20 Cl4 O48 P12 -","4","1","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0742","0.0293","","","0.0664","0.0846","","","","","","0.942","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2105274","9.6307","0.0004","6.7425","0.0003","19.2602","0.0007","90","","119.969","0.001","90","","1083.44","0.08","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca5 Cl O12 P3 -","- Ca5 Cl O12 P3 -","- Ca20 Cl4 O48 P12 -","4","1","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0492","0.0385","","","0.0908","0.0952","","","","","","1.148","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2105275","9.6344","0.0003","6.7442","0.0002","19.2656","0.0005","90","","119.994","0.001","90","","1084.16","0.06","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca5 Cl O12 P3 -","- Ca5 Cl O12 P3 -","- Ca20 Cl4 O48 P12 -","4","1","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0489","0.0384","","","0.0969","0.1026","","","","","","1.146","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2105276","9.6307","0.0004","6.7425","0.0003","19.2602","0.0007","90","","119.969","0.001","90","","1083.44","0.08","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca5 Cl O12 P3 -","- Ca5 Cl O12 P3 -","- Ca20 Cl4 O48 P12 -","4","1","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0566","0.0356","","","0.0841","0.0928","","","","","","1.157","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2105277","9.5377","0.0003","9.5377","0.0003","6.7999","0.0005","90","","90","","120","","535.7","0.05","100","2","100","2","","","","","","","synthesis as described","5","P 63/m","-P 6c","176","","","","- Ca5 Cl0.54 H0.46 O12.46 P3 -","- Ca5 Cl0.544 H0.456 O12.455 P3 -","- Ca10 Cl1.088 H0.912 O24.91 P6 -","2","0.166667","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0288","0.0269","","","0.0634","0.0644","","","","","","1.176","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105278","9.5439","0.0002","9.5439","0.0002","6.8174","0.0003","90","","90","","120","","537.78","0.03","293","2","293","2","","","","","","","synthesis as described","5","P 63/m","-P 6c","176","","","","- Ca5 Cl0.54 H0.46 O12.46 P3 -","- Ca5 Cl0.54 H0.46 O12.46 P3 -","- Ca10 Cl1.08 H0.92 O24.92 P6 -","2","0.166667","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0304","0.028","","","0.0677","0.0689","","","","","","1.203","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105279","9.4815","0.0002","9.4815","0.0002","6.82","0.0003","90","","90","","120","","530.97","0.03","100","2","100","2","","","","","","","synthesis as described","5","P 63/m","-P 6c","176","","","","- Ca5 Cl0.44 H0.56 O12.56 P3 -","- Ca5 Cl0.44 H0.561 O12.561 P3 -","- Ca10 Cl0.88 H1.122 O25.122 P6 -","2","0.166667","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0355","0.0337","","","0.074","0.0748","","","","","","1.126","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105280","9.4894","0.0004","9.4894","0.0004","6.8612","0.0007","90","","90","","120","","535.07","0.06","293","2","293","2","","","","","","","synthesis as described","5","P 63/m","-P 6c","176","","","","- Ca5 Cl0.44 H0.56 O12.56 P3 -","- Ca5 Cl0.44 H0.56 O12.56 P3 -","- Ca10 Cl0.88 H1.12 O25.12 P6 -","2","0.166667","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0328","0.0316","","","0.0755","0.0762","","","","","","0.963","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105281","9.431","0.005","9.431","0.005","6.86","0.005","90","0.005","90","0.005","120","0.005","528.4","0.6","100","2","100","2","","","","","","","synthesis as described","5","P 63/m","-P 6c","176","","","","- Ca5 Cl0.29 H0.71 O12.71 P3 -","- Ca5 Cl0.286 H0.712 O12.716 P3 -","- Ca10 Cl0.572 H1.424 O25.432 P6 -","2","0.166667","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0405","0.0374","","","0.084","0.0852","","","","","","1.217","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105282","9.4284","0.0008","9.4284","0.0008","6.8756","0.0007","90","","90","","120","","529.32","0.08","293","2","293","2","","","","","","","synthesis as described","5","P 63/m","-P 6c","176","","","","- Ca5 Cl0.28 H0.72 O12.71 P3 -","- Ca5 Cl0.28 H0.72 O12.72 P3 -","- Ca10 Cl0.56 H1.44 O25.44 P6 -","2","0.166667","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0377","0.0328","","","0.0775","0.0808","","","","","","1.065","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105283","9.4139","0.0002","9.4139","0.0002","6.8679","0.0002","90","","90","","120","","527.1","0.02","100","2","100","2","","","","","","","synthesis as described","5","P 63/m","-P 6c","176","","","","- Ca5 Cl0.18 H0.82 O12.82 P3 -","- Ca5 Cl0.18 H0.818 O12.822 P3 -","- Ca10 Cl0.36 H1.636 O25.644 P6 -","2","0.166667","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0415","0.0385","","","0.0845","0.0856","","","","","","1.133","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105284","9.423","0.0002","9.423","0.0002","6.8794","0.0003","90","","90","","120","","529","0.03","293","2","293","2","","","","","","","synthesis as described","5","P 63/m","-P 6c","176","","","","- Ca5 Cl0.18 H0.82 O12.82 P3 -","- Ca5 Cl0.18 H0.82 O12.83 P3 -","- Ca10 Cl0.36 H1.64 O25.66 P6 -","2","0.166667","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0304","0.0291","","","0.0677","0.0683","","","","","","1.154","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105285","12.8348","0.0006","9.0961","0.0004","12.8365","0.0005","90","","107.434","0.002","90","","1429.78","0.11","100","2","100","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- Ca6 O16 P4 -","- Ca6 O16.001 P4 -","- Ca24 O64.004 P16 -","4","1","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0592","0.0418","","","0.0935","0.1008","","","","","","1.062","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105286","20.1095","0.0006","7.8045","0.0002","11.4938","0.0004","90","","90","","90","","1803.89","0.09","223","2","223","2","","","","","","","","4","P m n 21","P 2ac -2","31","","potassium oxofluoroniobate","","- F28 K10 Nb6 O6 -","- F9.33333 K3.33333 Nb2 O2 -","- F56 K20 Nb12 O12 -","6","1.5","BP5045","Udovenko, Anatoly A.; Laptash, Natalia M.","Dinuclear oxofluorometallates as a new structural type of <i>d</i>^0^ transition metal oxofluoride compound","Acta Crystallographica Section B","2012","68","6","602","609","10.1107/S0108768112042577","","","0.71073","MoKα","","0.0318","0.0314","","","0.0922","0.0925","","","","","","1.18","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2105287","20.3757","0.0004","20.3757","0.0004","8.0851","0.0003","90","","90","","120","","2906.97","0.13","173","2","173","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","ammonium oxofluoroniobate","","- F28 H40 N10 Nb6 O6 -","- F9.33333 H13.3333 N3.33333 Nb2 O2 -","- F84 H120 N30 Nb18 O18 -","9","0.75","BP5045","Udovenko, Anatoly A.; Laptash, Natalia M.","Dinuclear oxofluorometallates as a new structural type of <i>d</i>^0^ transition metal oxofluoride compound","Acta Crystallographica Section B","2012","68","6","602","609","10.1107/S0108768112042577","","","0.71073","MoKα","","0.0886","0.0819","","","0.2241","0.224","","","","","","1.082","","","","has coordinates","189062","2020-10-21","18:00:00",""
"2105288","20.4958","0.0004","20.4958","0.0004","8.1385","0.0002","90","","90","","120","","2960.77","0.11","223","2","223","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","rubidium oxofluorodiniobate","","- Cl F83 Nb18 O18 Rb30 -","- Cl0.111111 F9.22222 Nb2 O2 Rb3.33333 -","- Cl F83 Nb18 O18 Rb30 -","9","0.75","BP5045","Udovenko, Anatoly A.; Laptash, Natalia M.","Dinuclear oxofluorometallates as a new structural type of <i>d</i>^0^ transition metal oxofluoride compound","Acta Crystallographica Section B","2012","68","6","602","609","10.1107/S0108768112042577","","","0.71073","MoKα","","0.0483","0.0386","","","0.1045","0.104","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105289","20.2744","0.0002","20.2744","0.0002","8.0811","0.0001","90","","90","","120","","2876.72","0.05","243","2","243","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","rubidium oxofluoromolybdate","","- F22 Mo6 O12 Rb10 -","- F9.33333 Mo2 O2 Rb3.33333 -","- F84 Mo18 O18 Rb30 -","9","0.75","BP5045","Udovenko, Anatoly A.; Laptash, Natalia M.","Dinuclear oxofluorometallates as a new structural type of <i>d</i>^0^ transition metal oxofluoride compound","Acta Crystallographica Section B","2012","68","6","602","609","10.1107/S0108768112042577","","","0.71073","MoKα","","0.0524","0.0424","","","0.1194","0.119","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105290","20.1457","0.0007","20.1457","0.0007","8.0951","0.0005","90","","90","","120","","2845.2","0.2","203","2","203","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","rubidium oxofluorotungstate","","- F22 O12 Rb10 W6 -","- F9.33333 O2 Rb3.33333 W2 -","- F84 O18 Rb30 W18 -","9","0.75","BP5045","Udovenko, Anatoly A.; Laptash, Natalia M.","Dinuclear oxofluorometallates as a new structural type of <i>d</i>^0^ transition metal oxofluoride compound","Acta Crystallographica Section B","2012","68","6","602","609","10.1107/S0108768112042577","","","0.71073","MoKα","","0.0704","0.0566","","","0.1498","0.15","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105291","13.6825","0.0003","10.0465","0.0002","13.777","0.0004","90","","115.166","0.003","90","","1714.04","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis (2,6-pyridinedicarboxylato)nickelate(II) trihydrate","","- C14 H14 N2 Ni O11 -","- C14 H14 N2 Ni O11 -","- C56 H56 N8 Ni4 O44 -","4","1","BP5046","Sanotra, Sumit; Gupta, Rimpy; Sheikh, Haq Nawaz; Kalsotra, Bansi Lal; Gupta, Vivek K.; Rajnikant","Hydrothermal synthesis and crystal structure of novel bis(6-carboxypyridine-2-carboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)nickel(II) trihydrate, Ni(Hpydc)~2~·3H~2~O","Acta Crystallographica Section B","2012","68","6","619","624","10.1107/S0108768112043972","","","0.71073","MoKα","","0.0415","0.0323","","","0.0811","0.0878","","","","","","1.046","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105292","7.0862","0.0006","10.0235","0.0008","13.2437","0.0011","90","","90","","90","","940.68","0.13","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H11 Cl2 Mn N O3 -","- C5 H11 Cl2 Mn N O3 -","- C20 H44 Cl8 Mn4 N4 O12 -","4","1","GP5056","Lamberts, Kevin; Englert, Ulli","Structures from Mn<i>X</i>~2~ and proline: isomorphous racemic compounds and a series of chiral non-isomorphous chain polymers","Acta Crystallographica Section B","2012","68","6","610","618","10.1107/S0108768112043996","","","0.71073","MoKα","","0.0404","0.0319","","","0.0693","0.0737","","","","","","1.056","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105293","8.286","0.002","8.256","0.002","9.387","0.003","90","","92.172","0.004","90","","641.7","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C7 H17 Br2 Mn N O4 -","- C7 H17 Br2 Mn N O4 -","- C14 H34 Br4 Mn2 N2 O8 -","2","1","GP5056","Lamberts, Kevin; Englert, Ulli","Structures from Mn<i>X</i>~2~ and proline: isomorphous racemic compounds and a series of chiral non-isomorphous chain polymers","Acta Crystallographica Section B","2012","68","6","610","618","10.1107/S0108768112043996","","","0.71073","MoKα","","0.0416","0.0351","","","0.062","0.0643","","","","","","1.001","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105294","8.1264","0.0018","11.867","0.003","13.727","0.003","90","","90","","90","","1323.8","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H15 I2 Mn N O5 -","- C5 H15 I2 Mn N O5 -","- C20 H60 I8 Mn4 N4 O20 -","4","1","GP5056","Lamberts, Kevin; Englert, Ulli","Structures from Mn<i>X</i>~2~ and proline: isomorphous racemic compounds and a series of chiral non-isomorphous chain polymers","Acta Crystallographica Section B","2012","68","6","610","618","10.1107/S0108768112043996","","","0.71073","MoKα","","0.0402","0.0334","","","0.0737","0.0778","","","","","","1.032","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105295","9.124","0.003","9.034","0.003","10.001","0.003","90","","107.704","0.004","90","","785.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H22 Cl2 Mn N2 O6 -","- C10 H22 Cl2 Mn N2 O6 -","- C20 H44 Cl4 Mn2 N4 O12 -","2","0.5","GP5056","Lamberts, Kevin; Englert, Ulli","Structures from Mn<i>X</i>~2~ and proline: isomorphous racemic compounds and a series of chiral non-isomorphous chain polymers","Acta Crystallographica Section B","2012","68","6","610","618","10.1107/S0108768112043996","","","0.71073","MoKα","","0.0327","0.0278","","","0.0687","0.0714","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105296","9.3156","0.0012","9.1319","0.0012","10.0593","0.0013","90","","106.904","0.002","90","","818.76","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H22 Br2 Mn N2 O6 -","- C10 H22 Br2 Mn N2 O6 -","- C20 H44 Br4 Mn2 N4 O12 -","2","0.5","GP5056","Lamberts, Kevin; Englert, Ulli","Structures from Mn<i>X</i>~2~ and proline: isomorphous racemic compounds and a series of chiral non-isomorphous chain polymers","Acta Crystallographica Section B","2012","68","6","610","618","10.1107/S0108768112043996","","","0.71073","MoKα","","0.0605","0.0456","","","0.0829","0.0884","","","","","","1.049","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105297","9.664","0.001","9.4026","0.001","10.0228","0.0011","90","","104.454","0.002","90","","881.91","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H22 I2 Mn N2 O6 -","- C10 H22 I2 Mn N2 O6 -","- C20 H44 I4 Mn2 N4 O12 -","2","0.5","GP5056","Lamberts, Kevin; Englert, Ulli","Structures from Mn<i>X</i>~2~ and proline: isomorphous racemic compounds and a series of chiral non-isomorphous chain polymers","Acta Crystallographica Section B","2012","68","6","610","618","10.1107/S0108768112043996","","","0.71073","MoKα","","0.0436","0.0314","","","0.0566","0.0606","","","","","","1.012","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105298","8.5755","0.0003","10.1627","0.0003","14.2676","0.0002","90","","95.249","0.002","90","","1238.21","0.06","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","coumarin-102","8-methyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo(de)anthracen-10-one","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","GW5019","Bibila Mayaya Bisseyou, Yvon; Bouhmaida, Nouhza; Guillot, Benoit; Lecomte, Claude; Lugan, Noel; Ghermani, Noureddine; Jelsch, Christian","Experimental and database-transferred electron-density analysis and evaluation of electrostatic forces in coumarin-102 dye","Acta Crystallographica Section B","2012","68","6","646","660","10.1107/S0108768112042826","","","0.71073","MoKα","","0.0368","0.02","","","0.016","0.0174","","","","","","1.908","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105299","7.842","0.003","4.577","0.003","8.56","0.003","90","","100.04","0.02","90","","302.5","0.3","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","potassium hydrogen phosphoglycolate","","","- C2 H4 K O6 P -","- C2 H4 K O6 P -","- C4 H8 K2 O12 P2 -","2","1","PI5011","Mermer, Adrian; Starynowicz, Przemysław","Charge-density distribution in potassium dihydrogen phosphoglycolate ‒ a comparison of phosphate and phosphonate groups","Acta Crystallographica Section B","2012","68","6","625","635","10.1107/S0108768112040724","","","0.71073","MoKα","","0.042","0.022","","","","0.037","","","","","","1.083","","","","has coordinates","201208","2020-10-21","18:00:00",""
"2105300","10.418","0.0003","13.4413","0.0006","13.9207","0.0006","87.564","0.0019","77.298","0.002","88.101","0.003","1899.35","0.13","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C48 H24.5 B2 N12 O1.25 -","- C48 H24.5 B2 N12 O1.25 -","- C96 H49 B4 N24 O2.5 -","2","1","RY5043","Fulford, Mabel V.; Lough, Alan John; Bender, Timothy P.","The first report of the crystal structure of non-solvated μ-oxo boron subphthalocyanine and the crystal structures of two solvated forms","Acta Crystallographica Section B","2012","68","6","636","645","10.1107/S0108768112037184","","","0.71073","MoKα","","0.1864","0.0666","","","0.1535","0.2136","","","","","","0.955","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105301","11.3894","0.0003","13.2623","0.0003","17.6618","0.0006","78.347","0.0016","85.616","0.0013","76.74","0.0017","2541.89","0.13","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H32 B2 Cl4 N12 O -","- C60 H32 B2 Cl4 N12 O -","- C120 H64 B4 Cl8 N24 O2 -","2","1","RY5043","Fulford, Mabel V.; Lough, Alan John; Bender, Timothy P.","The first report of the crystal structure of non-solvated μ-oxo boron subphthalocyanine and the crystal structures of two solvated forms","Acta Crystallographica Section B","2012","68","6","636","645","10.1107/S0108768112037184","","","0.71073","MoKα","","0.1671","0.0848","","","0.1757","0.217","","","","","","1.012","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105302","25.6932","0.0018","8.3375","0.0005","20.886","0.0016","90","","124.401","0.003","90","","3691.6","0.5","147","1","147","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H24 B2 N12 O -","- C48 H24 B2 N12 O -","- C192 H96 B8 N48 O4 -","4","0.5","RY5043","Fulford, Mabel V.; Lough, Alan John; Bender, Timothy P.","The first report of the crystal structure of non-solvated μ-oxo boron subphthalocyanine and the crystal structures of two solvated forms","Acta Crystallographica Section B","2012","68","6","636","645","10.1107/S0108768112037184","","","0.71073","MoKα","","0.1491","0.0881","","","0.1972","0.2286","","","","","","1.085","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105303","8.9004","0.0005","37.195","0.0017","11.6645","0.0006","90","","104.005","0.003","90","","3746.8","0.3","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H32 N4 O0.5 S3 -","- C48 H32 N4 O0.5 S3 -","- C192 H128 N16 O2 S12 -","4","2","RY5046","Stöger, Berthold; Kautny, Paul; Lumpi, Daniel; Zobetz, Erich; Fröhlich, Johannes","Solvatomorphism of 9,9'-[1,3,4-thiadiazole-2,5-diylbis(2,3-thiophendiyl-4,1-phenylene)]bis[9<i>H</i>-carbazole]: isostructurality, modularity and order‒disorder theory","Acta Crystallographica Section B","2012","68","6","667","676","10.1107/S0108768112039651","","","0.71073","MoKα","","0.0649","0.0564","","","0.0696","0.0708","","","","","","2.27","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105304","8.8595","0.0007","11.5099","0.0009","21.2526","0.0018","103.26","0.007","99.338","0.006","101.444","0.004","2017.8","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H34 N4 S3 -","- C52 H34 N4 S3 -","- C104 H68 N8 S6 -","2","1","RY5046","Stöger, Berthold; Kautny, Paul; Lumpi, Daniel; Zobetz, Erich; Fröhlich, Johannes","Solvatomorphism of 9,9'-[1,3,4-thiadiazole-2,5-diylbis(2,3-thiophendiyl-4,1-phenylene)]bis[9<i>H</i>-carbazole]: isostructurality, modularity and order‒disorder theory","Acta Crystallographica Section B","2012","68","6","667","676","10.1107/S0108768112039651","","","0.71073","MoKα","","0.0657","0.0399","","","0.0422","0.044","","","","","","1.69","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105305","8.9068","0.0017","11.651","0.002","21.201","0.004","100.671","0.007","100.792","0.007","103.193","0.007","2043.5","0.7","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C53 H36 N4 S3 -","- C53 H36 N4 S3 -","- C106 H72 N8 S6 -","2","1","RY5046","Stöger, Berthold; Kautny, Paul; Lumpi, Daniel; Zobetz, Erich; Fröhlich, Johannes","Solvatomorphism of 9,9'-[1,3,4-thiadiazole-2,5-diylbis(2,3-thiophendiyl-4,1-phenylene)]bis[9<i>H</i>-carbazole]: isostructurality, modularity and order‒disorder theory","Acta Crystallographica Section B","2012","68","6","667","676","10.1107/S0108768112039651","","","0.71073","MoKα","","0.0951","0.0449","","","0.0454","0.0499","","","","","","1.29","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105306","12.5233","0.0004","11.2845","0.0004","29.4786","0.001","90","","94.1313","0.0018","90","","4155.1","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H40 N4 O3 S3 -","- C52 H40 N4 O3 S3 -","- C208 H160 N16 O12 S12 -","4","1","RY5046","Stöger, Berthold; Kautny, Paul; Lumpi, Daniel; Zobetz, Erich; Fröhlich, Johannes","Solvatomorphism of 9,9'-[1,3,4-thiadiazole-2,5-diylbis(2,3-thiophendiyl-4,1-phenylene)]bis[9<i>H</i>-carbazole]: isostructurality, modularity and order‒disorder theory","Acta Crystallographica Section B","2012","68","6","667","676","10.1107/S0108768112039651","","","0.71073","MoKα","","0.0821","0.0447","","","0.0503","0.052","","","","","","2.18","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2105307","12.6014","0.0005","11.481","0.0004","30.2953","0.0012","90","","105.704","0.003","90","","4219.4","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C55 H37 N4 S3 -","- C55 H37 N4 S3 -","- C220 H148 N16 S12 -","4","1","RY5046","Stöger, Berthold; Kautny, Paul; Lumpi, Daniel; Zobetz, Erich; Fröhlich, Johannes","Solvatomorphism of 9,9'-[1,3,4-thiadiazole-2,5-diylbis(2,3-thiophendiyl-4,1-phenylene)]bis[9<i>H</i>-carbazole]: isostructurality, modularity and order‒disorder theory","Acta Crystallographica Section B","2012","68","6","667","676","10.1107/S0108768112039651","","","0.71073","MoKα","","0.1346","0.1045","","","0.13","0.1314","","","","","","4.46","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2105308","15.3042","0.0003","10.0019","0.0002","47.6862","0.001","90","","91.7802","0.0012","90","","7295.9","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46.5 H28 Cl D N4 S3 -","- C46.5 H28 Cl D N4 S3 -","- C372 H224 Cl8 D8 N32 S24 -","8","2","RY5046","Stöger, Berthold; Kautny, Paul; Lumpi, Daniel; Zobetz, Erich; Fröhlich, Johannes","Solvatomorphism of 9,9'-[1,3,4-thiadiazole-2,5-diylbis(2,3-thiophendiyl-4,1-phenylene)]bis[9<i>H</i>-carbazole]: isostructurality, modularity and order‒disorder theory","Acta Crystallographica Section B","2012","68","6","667","676","10.1107/S0108768112039651","","","0.71073","MoKα","","0.0535","0.0371","","","0.0411","0.0431","","","","","","1.96","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2310029","12.4596","0.0006","12.4596","0.0006","7.9042","0.0006","90","","90","","90","","1227.06","0.13","295","","295","","","","","","","","","5","X4bm","","","","","","- Ba0.721 Ca0.251 Ce0.024 Nb2 O6 -","","","10","","CK5044","Graetsch, Heribert A.; Pandey, Chandra Shekhar; Schreuer, Jürgen; Burianek, Manfred; Mühlberg, Manfred","Incommensurate modulation of calcium barium niobate (CBN28 and Ce:CBN28)","Acta Crystallographica Section B","2012","68","2","101","106","10.1107/S0108768111054863","","","0.71073","MoKα","","0.0384","0.0309","","","0.037","0.0393","","","","","","1.38","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310030","12.4529","0.0004","12.4529","0.0004","7.9242","0.0006","90","","90","","90","","1228.84","0.11","295","","295","","","","","","","","","4","X4bm","","","","","","- Ba0.72 Ca0.279 Nb2 O6 -","","","10","","CK5044","Graetsch, Heribert A.; Pandey, Chandra Shekhar; Schreuer, Jürgen; Burianek, Manfred; Mühlberg, Manfred","Incommensurate modulation of calcium barium niobate (CBN28 and Ce:CBN28)","Acta Crystallographica Section B","2012","68","2","101","106","10.1107/S0108768111054863","","","0.71073","MoKα","","0.0306","0.0276","","","0.0403","0.0414","","","","","","1.65","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310031","19.66","0.04","3.2487","0.0005","1.6065","0.0012","90","","105.9","0.1","90","","98.7","0.2","293","","293","","","","","","","","","3","C2/m(\a0\g)00","","","","","","- Ga0.889 O4.222 Zn2.889 -","- Ga1.93776 O8 Zn6.2972 -","- Ga1.93776 O8 Zn6.2972 -","1","","DK5003","Michiue, Yuichi; Kimizuka, Noboru; Kanke, Yasushi; Mori, Takao","Structure of (Ga~2~O~3~)~2~(ZnO)~13~ and a unified description of the homologous series (Ga~2~O~3~)~2~(ZnO)~2~~<i>n~+1</i>","Acta Crystallographica Section B","2012","68","3","250","260","10.1107/S0108768112016084","","x-ray","0.71069","","","0.113","0.0656","","0.2022","0.1421","","","","2.98","2.72","2.72","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310032","10.44365","0.000011","10.44365","0.000011","6.343562","0.000008","90","","90","","120","","599.195","0.0012","70","","70","","","","","","","","","3","R-3(00\g)0","","","","","","- Ca Mn7 O12 -","- Ca Mn7 O12 -","- Ca3 Mn21 O36 -","3","","PZ5097","Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V.","Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping","Acta Crystallographica Section B","2012","68","3","240","249","10.1107/S0108768112008038","powder diffraction","","0.39996","X-ray","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310033","10.443658","0.00001","10.443658","0.00001","6.343562","0.000007","90","","90","","120","","599.196","0.001","70","","70","","","","","","","","","3","R3(00\g)t","","","","","","- Ca Mn7 O12 -","- Ca Mn7 O12 -","- Ca3 Mn21 O36 -","3","","PZ5097","Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V.","Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping","Acta Crystallographica Section B","2012","68","3","240","249","10.1107/S0108768112008038","powder diffraction","","0.39996","X-ray","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310034","10.4372","0.0011","10.4372","0.0011","6.3414","0.0009","90","","90","","120","","598.25","0.12","60","","60","","","","","","","","","3","R31(00\g)ts","","","","","","- Ca Mn7 O12 -","","","6","","PZ5097","Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V.","Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping","Acta Crystallographica Section B","2012","68","3","240","249","10.1107/S0108768112008038","powder diffraction","neutron","2.41835","","","","","","","","","","","","","","","","","","has coordinates","209451","2020-10-21","18:00:00",""
"2310035","10.4312","0.0013","10.4312","0.0013","6.3417","0.0009","90","","90","","120","","597.59","0.14","60","","60","","","","","","","","","4","R31(00\g)ts","","","","","","- Ca Cu0.113 Mn6.887 O12 -","","","6","","PZ5097","Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V.","Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping","Acta Crystallographica Section B","2012","68","3","240","249","10.1107/S0108768112008038","powder diffraction","neutron","2.41835","","","","","","","","","","","","","","","","","","has coordinates","209451","2020-10-21","18:00:00",""
"2310036","10.4452","0.0002","10.4452","0.0002","6.3453","0.0002","90","","90","","120","","599.54","0.02","60","","60","","","","","","","","","3","R31(00\g)ts","","","","","","- Ca Mn7 O12 -","","","6","","PZ5097","Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V.","Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping","Acta Crystallographica Section B","2012","68","3","240","249","10.1107/S0108768112008038","powder diffraction","neutron","1.59493","neutron","","","","","","","","","","","","","","","","","has coordinates","209451","2020-10-21","18:00:00",""
"2310037","10.403","0.002","10.403","0.002","6.334","0.0014","90","","90","","120","","593.6","0.2","60","","60","","","","","","","","","4","R31(00\g)ts","","","","","","- Ca Cu0.246 Mn6.754 O12 -","","","6","","PZ5097","Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V.","Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping","Acta Crystallographica Section B","2012","68","3","240","249","10.1107/S0108768112008038","powder diffraction","neutron","2.41835","","","","","","","","","","","","","","","","","","has coordinates","209451","2020-10-21","18:00:00",""
"2310038","3.5905","","5.4903","","3.4954","","90","","81.8989","","90","","68.217","","293","","293","","","","","","","","","4","X2/m(\a0\g)0s","","","","","","- Bi14 Fe12 O61 Sr21 -","","","8","","BP5040","Elcoro, Luis; Pérez, Olivier; Perez-Mato, J. M.; Petříček, Václav","Unified (3+1)-dimensional superspace description of the 2212-type stair-like [Bi~2~Sr~3~Fe~2~O~9~]~<i>m~</i>[Bi~4~Sr~6~Fe~2~O~16~] family of compounds","Acta Crystallographica Section B","2012","68","4","341","355","10.1107/S0108768112018095","","x-ray","0.71069","","","0.1447","0.086","","","0.0998","0.1042","","","","3.3","3.3","2.6","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310039","5.66785","0.00003","5.64098","0.00003","5.45603","0.00003","90","","89.6677","0.0003","90","","174.439","0.0016","295","","","","","","","","","","","3","F2(\a0\g)0","","","","","","- Bi0.737 Mo0.263 O1.895 -","","","4","","SN5110","Bereciartua, P. J.; Zuñiga, F. J.; Perez-Mato, J. M.; Petříček, V.; Vila, E.; Castro, A.; Rodríguez-Carvajal, J.; Doyle, S.","Structure refinement and superspace description of the system Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6)","Acta Crystallographica Section B","2012","68","4","323","340","10.1107/S0108768112017478","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310040","5.70284","0.00002","5.64841","0.00002","5.46579","0.00002","90","","89.5999","0.0002","90","","176.06","0.0011","295","","","","","","","","","","","3","F2/m(\a0\g)0s","","","","","","- Bi0.75 Mo0.25 O1.875 -","","","4","","SN5110","Bereciartua, P. J.; Zuñiga, F. J.; Perez-Mato, J. M.; Petříček, V.; Vila, E.; Castro, A.; Rodríguez-Carvajal, J.; Doyle, S.","Structure refinement and superspace description of the system Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6)","Acta Crystallographica Section B","2012","68","4","323","340","10.1107/S0108768112017478","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310041","5.76634","0.00001","5.64745","0.00001","5.46529","0.00001","90","","89.7935","0.0001","90","","177.977","0.0005","295","","","","","","","","","","","3","F2(\a0\g)0","","","","","","- Bi0.769 Mo0.231 O1.846 -","","","4","","SN5110","Bereciartua, P. J.; Zuñiga, F. J.; Perez-Mato, J. M.; Petříček, V.; Vila, E.; Castro, A.; Rodríguez-Carvajal, J.; Doyle, S.","Structure refinement and superspace description of the system Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6)","Acta Crystallographica Section B","2012","68","4","323","340","10.1107/S0108768112017478","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310042","5.64477","0.00007","5.63038","0.00006","5.4499","0.00006","90","","89.7498","0.0006","90","","173.208","0.003","295","","","","","","","","","","","3","F2/m(\a0\g)0s","","","","","","- Bi0.727 Mo0.273 O1.909 -","","","4","","SN5110","Bereciartua, P. J.; Zuñiga, F. J.; Perez-Mato, J. M.; Petříček, V.; Vila, E.; Castro, A.; Rodríguez-Carvajal, J.; Doyle, S.","Structure refinement and superspace description of the system Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6)","Acta Crystallographica Section B","2012","68","4","323","340","10.1107/S0108768112017478","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310043","3.6174","","5.48","","3.4641","","90","","81.2438","","90","","67.87","","293","","293","","","","","","","","","4","X2/m(\a0\g)0s","","","","","","- Bi12 Fe10 O52 Sr18 -","","","8","","BP5040","Elcoro, Luis; Pérez, Olivier; Perez-Mato, J. M.; Petříček, Václav","Unified (3+1)-dimensional superspace description of the 2212-type stair-like [Bi~2~Sr~3~Fe~2~O~9~]~<i>m~</i>[Bi~4~Sr~6~Fe~2~O~16~] family of compounds","Acta Crystallographica Section B","2012","68","4","341","355","10.1107/S0108768112018095","","x-ray","0.71069","","","0.0964","0.0964","","","0.1208","0.1208","","","","3","3","3","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310050","4.3037","0.0005","4.3037","0.0005","5.6452","0.0006","90","","90","","120","","90.551","0.018","545","","545","","","","","","","","","4","R-3m(00\g)00","","","","","","- Ag0.034 In0.037 Sb0.764 Te0.165 -","- Ag0.034 In0.037 Sb0.764 Te0.165 -","- Ag0.102 In0.111 Sb2.292 Te0.495 -","3","","DK5006","Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kubota, Yoshiki; Kifune, Kouichi","Structural transformation of Sb-based high-speed phase-change material","Acta Crystallographica Section B","2012","68","6","559","570","10.1107/S0108768112039961","powder diffraction","","0.41873","","","0.0133","0.0133","","0.0198","0.0198","","","","0.98","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310057","4.3181","","4.3181","","5.7267","","90","","90","","120","","92.474","","773","","773","","","","","","","","","2","R-3m(00\g)00","","","","","","- Sb0.87 Te0.13 -","- Sb0.87 Te0.13 -","- Sb2.61 Te0.39 -","3","","DK5006","Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kubota, Yoshiki; Kifune, Kouichi","Structural transformation of Sb-based high-speed phase-change material","Acta Crystallographica Section B","2012","68","6","559","570","10.1107/S0108768112039961","powder diffraction","","0.41853","X-ray","","0.0301","0.0293","","","0.0176","0.0178","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310058","4.29686","0.00013","4.29686","0.00013","5.6759","0.00019","90","","90","","120","","90.754","0.005","293","","293","","","","","","","","","2","R-3m(00\g)00","","","","","","- Sb0.89 Te0.11 -","- Sb0.887 Te0.113 -","- Sb2.661 Te0.339 -","3","","DK5006","Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kubota, Yoshiki; Kifune, Kouichi","Structural transformation of Sb-based high-speed phase-change material","Acta Crystallographica Section B","2012","68","6","559","570","10.1107/S0108768112039961","powder diffraction","","0.41873","","","0.0162","0.0162","","0.0159","0.0159","","","","1","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"9017922","24.917","","5.506","","14.242","","90","","101.77","","90","","1912.82","","","","","","","","","","","","Baccu Locci mine, near Villaputzu, Sardinia, Italy","5","C 1 2/c 1","-C 2yc","15","","","Sarrabusite","- Cl4 Cu O12 Pb5 Se4 -","- Cl4 Cu O12 Pb5 Se4 -","- Cl16 Cu4 O48 Pb20 Se16 -","4","0.5","DK5002","Gemmi, Mauro; Campostrini, Italo; Demartin, Francesco; Gorelik, Tatiana E.; Gramaccioli, Carlo Maria","Structure of the new mineral sarrabusite, Pb~5~CuCl~4~(SeO~3~)~4~, solved by manual electron-diffraction tomography","Acta Crystallographica Section B","2012","68","1","15","23","10.1107/S010876811104688X","","","","","","","","","","","","","","","","","","","2105051","","has coordinates","292100","2024-05-29","14:19:57",""