# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T09:08:23+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 'IUCrJ') AND volume = 7 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
"1556577","5.223","0.001","12.435","0.003","5.563","0.0011","90","","111.14","0.03","90","","336.99","0.14","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","alpha-glycine","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","","Broadhurst, Edward T.; Xu, Hongyi; Clabbers, Max T. B.; Lightowler, Molly; Nudelman, Fabio; Zou, Xiaodong; Parsons, Simon","Polymorph evolution during crystal growth studied by 3D electron diffraction","IUCrJ","2020","7","1","5","9","10.1107/S2052252519016105","","","0.02508","electrons","","0.2468","0.2188","","","0.4858","0.5176","","","","","","1.058","","","","has coordinates","247895","2020-10-21","18:00:00",""
"1556578","5.311","0.0011","6.454","0.0013","5.694","0.0011","90","","112.86","0.03","90","","179.84","0.07","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","beta-glycine","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C4 H10 N2 O4 -","2","1","","Broadhurst, Edward T.; Xu, Hongyi; Clabbers, Max T. B.; Lightowler, Molly; Nudelman, Fabio; Zou, Xiaodong; Parsons, Simon","Polymorph evolution during crystal growth studied by 3D electron diffraction","IUCrJ","2020","7","1","5","9","10.1107/S2052252519016105","","","0.02508","electrons","","0.1379","0.1276","","","0.2894","0.2964","","","","","","1.18","","","","has coordinates","247895","2020-10-21","18:00:00",""
"1556579","7.395","0.001","7.395","0.001","5.75","0.0012","90","","90","","120","","272.32","0.08","103","2","103","2","","","","","","","","4","P 31","P 31","144","gamma-glycine","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Broadhurst, Edward T.; Xu, Hongyi; Clabbers, Max T. B.; Lightowler, Molly; Nudelman, Fabio; Zou, Xiaodong; Parsons, Simon","Polymorph evolution during crystal growth studied by 3D electron diffraction","IUCrJ","2020","7","1","5","9","10.1107/S2052252519016105","","","0.02508","electrons","","0.4088","0.3064","","","0.6299","0.7029","","","","","","1.013","","","","has coordinates","247895","2020-10-21","18:00:00",""
"1556729","35.908","0.005","27.784","0.003","33.126","0.004","90","","96.494","0.003","90","","32837","7","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- Ba0.45 Ce1.04 K0.55 Na5.62 O76.74 Si18.76 Ti6 -","- Ba0.45 Ce1.0425 K0.549 Na5.6205 O76.7345 Si18.761 Ti6 -","- Ba7.2 Ce16.68 K8.784 Na89.928 O1227.75 Si300.176 Ti96 -","16","2","","Zolotarev, Jr, Andrey A.; Krivovichev, Sergey V.; Cámara, Fernando; Bindi, Luca; Zhitova, Elena S.; Hawthorne, Frank; Sokolova, Elena","Extraordinary structural complexity of ilmajokite: a multilevel hierarchical framework structure of natural origin","IUCrJ","2020","7","1","121","128","10.1107/S2052252519016622","","","0.71073","MoKα","","0.1129","0.0807","","","0.2338","0.2638","","","","","","0.969","","","","has coordinates","247893","2020-10-21","18:00:00",""
"1556730","9.959","0.004","11.731","0.004","12.842","0.005","90","","90","","90","","1500.3","1","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O2 -","- C20 H24 O2 -","- C80 H96 O8 -","4","1","","Fatima, Syeda Saima; Kumar, Rajesh; Choudhary, M. Iqbal; Yousuf, Sammer","Crystal engineering of exemestane to obtain a co-crystal with enhanced urease inhibition activity","IUCrJ","2020","7","1","105","112","10.1107/S2052252519016142","","","0.71073","MoKα","","0.1518","0.0568","","","0.1362","0.1924","","","","","","0.871","","","","has coordinates","247894","2020-10-21","18:00:00",""
"1556731","10.3797","0.0014","8.3706","0.0011","10.7275","0.0014","90","","105.568","0.003","90","","897.9","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H28 N2 O2 S -","- C21 H28 N2 O2 S -","- C42 H56 N4 O4 S2 -","2","1","","Fatima, Syeda Saima; Kumar, Rajesh; Choudhary, M. Iqbal; Yousuf, Sammer","Crystal engineering of exemestane to obtain a co-crystal with enhanced urease inhibition activity","IUCrJ","2020","7","1","105","112","10.1107/S2052252519016142","","","0.71073","MoKα","","0.0734","0.0473","","","0.0968","0.11","","","","","","1.024","","","","has coordinates","247894","2020-10-21","18:00:00",""
"1556888","14.8945","0.0001","12.1188","0.0001","10.2846","0.0001","90","","105.825","0.001","90","","1786.05","0.03","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F4 N2 O4 S -","- C18 H14 F4 N2 O4 S -","- C72 H56 F16 N8 O16 S4 -","4","1","","Korlyukov, Alexander A.; Malinska, Maura; Vologzhanina, Anna V.; Goizman, Mikhail S.; Trzybinski, Damian; Wozniak, Krzysztof","Charge density view on bicalutamide molecular interactions in the monoclinic polymorph and androgen receptor binding pocket","IUCrJ","2020","7","1","71","82","10.1107/S2052252519014416","","","0.71073","MoKα","","0.033","0.02","","","","0.02","","","","","","1.066","","","","has coordinates","246420","2020-10-21","18:00:00",""
"1556889","24.633","0.011","12.093","0.004","15.509","0.006","90","","108.48","0.012","90","","4382","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H42 Cu2 N2 O8 -","- C54 H42 Cu2 N2 O8 -","- C216 H168 Cu8 N8 O32 -","4","0.5","","Yadava, Khushboo; Gallo, Gianpiero; Bette, Sebastian; Mulijanto, Caroline Evania; Karothu, Durga Prasad; Park, In-Hyeok; Medishetty, Raghavender; Naumov, Panče; Dinnebier, Robert E.; Vittal, Jagadese J.","Extraordinary anisotropic thermal expansion in photosalient crystals","IUCrJ","2020","7","1","83","89","10.1107/S2052252519014581","","","0.71073","MoKα","","0.0379","0.0335","","","0.0815","0.084","","","","","","1.029","","","","has coordinates","246421","2020-10-21","18:00:00",""
"1556890","24.9699","0.0008","12.1074","0.0004","15.4675","0.0004","90","","108.809","0.001","90","","4426.4","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H40 Cu2 F2 N2 O8 -","- C54 H40 Cu2 F2 N2 O8 -","- C216 H160 Cu8 F8 N8 O32 -","4","0.5","","Yadava, Khushboo; Gallo, Gianpiero; Bette, Sebastian; Mulijanto, Caroline Evania; Karothu, Durga Prasad; Park, In-Hyeok; Medishetty, Raghavender; Naumov, Panče; Dinnebier, Robert E.; Vittal, Jagadese J.","Extraordinary anisotropic thermal expansion in photosalient crystals","IUCrJ","2020","7","1","83","89","10.1107/S2052252519014581","","","0.71073","MoKα","","0.0457","0.0309","","","0.0731","0.0789","","","","","","1.025","","","","has coordinates","246421","2020-10-21","18:00:00",""
"1556891","25.1802","0.0018","12.0004","0.0009","15.5976","0.001","90","","108.802","0.002","90","","4461.7","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H40 Cu2 F2 N2 O8 -","- C54 H40 Cu2 F2 N2 O8 -","- C216 H160 Cu8 F8 N8 O32 -","4","0.5","","Yadava, Khushboo; Gallo, Gianpiero; Bette, Sebastian; Mulijanto, Caroline Evania; Karothu, Durga Prasad; Park, In-Hyeok; Medishetty, Raghavender; Naumov, Panče; Dinnebier, Robert E.; Vittal, Jagadese J.","Extraordinary anisotropic thermal expansion in photosalient crystals","IUCrJ","2020","7","1","83","89","10.1107/S2052252519014581","","","0.71073","MoKα","","0.0313","0.0269","","","0.071","0.0733","","","","","","1.069","","","","has coordinates,has disorder","246421","2020-10-21","18:00:00",""
"1556892","10.3725","0.0005","11.0398","0.0005","12.0294","0.0005","71.354","0.001","66.229","0.001","65.356","0.001","1126.6","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H40 Cu2 F2 N2 O8 -","- C54 H40 Cu2 F2 N2 O8 -","- C54 H40 Cu2 F2 N2 O8 -","1","0.5","","Yadava, Khushboo; Gallo, Gianpiero; Bette, Sebastian; Mulijanto, Caroline Evania; Karothu, Durga Prasad; Park, In-Hyeok; Medishetty, Raghavender; Naumov, Panče; Dinnebier, Robert E.; Vittal, Jagadese J.","Extraordinary anisotropic thermal expansion in photosalient crystals","IUCrJ","2020","7","1","83","89","10.1107/S2052252519014581","","","0.71073","MoKα","","0.0333","0.0283","","","0.0675","0.0701","","","","","","1.069","","","","has coordinates","246421","2020-10-21","18:00:00",""
"1556893","5.392","0.003","6.806","0.003","11.261","0.005","90","","90","","90","","413.3","0.3","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Pyridine II","","- C5 H5 N -","- C5 H5 N -","- C20 H20 N4 -","4","1","","Giordano, Nico; Beavers, Christine M.; Campbell, Branton J.; Eigner, Václav; Gregoryanz, Eugene; Marshall, Willliam G.; Peña-Álvarez, Miriam; Teat, Simon J.; Vennari, Cara E.; Parsons, Simon","High-pressure polymorphism in pyridine","IUCrJ","2020","7","1","58","70","10.1107/S2052252519015616","","","0.49594","synchrotron","","0.04","0.029","","","0.0583","0.0602","","","","","","0.882","","","","has coordinates","246422","2020-10-21","18:00:00",""
"1556894","5.4053","0.0004","5.4053","0.0004","13.4853","0.0014","90","","90","","90","","394","0.06","293","","293","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Pyridine III","","- C5 H5 N -","- C5 H5 N -","- C20 H20 N4 -","4","0.5","","Giordano, Nico; Beavers, Christine M.; Campbell, Branton J.; Eigner, Václav; Gregoryanz, Eugene; Marshall, Willliam G.; Peña-Álvarez, Miriam; Teat, Simon J.; Vennari, Cara E.; Parsons, Simon","High-pressure polymorphism in pyridine","IUCrJ","2020","7","1","58","70","10.1107/S2052252519015616","","","0.49594","synchrotron","","0.0786","0.0755","","","0.1864","0.1956","","","","","","1.137","","","","has coordinates","246422","2020-10-21","18:00:00",""
"1557387","14.2399","0.0005","7.5126","0.0003","14.7479","0.0005","90","","101.619","0.0019","90","","1545.38","0.1","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C28 H20 N2 O6 Zn -","- C28 H20 N2 O6 Zn -","- C56 H40 N4 O12 Zn2 -","2","0.5","","Park, In-Hyeok; Dey, Atanu; Sasaki, Kenta; Ohba, Masaaki; Lee, Shim Sung; Vittal, Jagadese J.","Disappeared supramolecular isomer reappears with perylene guest","IUCrJ","2020","7","2","324","330","10.1107/S2052252520001451","","","0.71073","MoKα","","0.0577","0.0485","","","0.1466","0.1522","","","","","","1.118","","","","has coordinates,has disorder","249078","2020-10-21","18:00:00",""
"1557388","20.1826","0.0009","18.7307","0.0007","17.1854","0.0006","90","","91.583","0.002","90","","6494.2","0.4","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C56 H40 N4 O12 Zn2 -","- C56 H40 N4 O12 Zn2 -","- C224 H160 N16 O48 Zn8 -","4","1","","Park, In-Hyeok; Dey, Atanu; Sasaki, Kenta; Ohba, Masaaki; Lee, Shim Sung; Vittal, Jagadese J.","Disappeared supramolecular isomer reappears with perylene guest","IUCrJ","2020","7","2","324","330","10.1107/S2052252520001451","","","1.54178","CuKα","","0.0997","0.0768","","","0.2231","0.2401","","","","","","1.091","","","","has coordinates,has disorder","249078","2020-10-21","18:00:00",""
"1557389","28.18","0.004","14.88","0.002","18.158","0.003","90","","124.421","0.006","90","","6280.8","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H26 N2 O6 Zn -","- C38 H26 N2 O6 Zn -","- C304 H208 N16 O48 Zn8 -","8","1","","Park, In-Hyeok; Dey, Atanu; Sasaki, Kenta; Ohba, Masaaki; Lee, Shim Sung; Vittal, Jagadese J.","Disappeared supramolecular isomer reappears with perylene guest","IUCrJ","2020","7","2","324","330","10.1107/S2052252520001451","","","1.54178","CuKα","","0.0874","0.0558","","","0.125","0.1387","","","","","","1.032","","","","has coordinates,has disorder","249078","2020-10-21","18:00:00",""
"1557481","7.9299","0.0005","9.3219","0.0004","13.5862","0.0009","87.768","0.004","76.928","0.005","76.025","0.005","949.2","0.1","290.8","0.1","290.8","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 Cl N3 O2 -","- C21 H22 Cl N3 O2 -","- C42 H44 Cl2 N6 O4 -","2","1","ED5019","Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla","Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid","IUCrJ","2020","7","2","173","183","10.1107/S205225251901604X","","x-ray","0.71073","MoKα","","0.0783","0.0567","","","0.1406","0.1544","","","","","","1.054","","","","has coordinates,has disorder","249077","2020-10-21","18:00:00",""
"1557482","7.7631","0.0006","8.025","0.0006","16.2297","0.0012","101.784","0.006","98.374","0.006","90.687","0.006","978.32","0.13","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Cl N3 O3 -","- C21 H24 Cl N3 O3 -","- C42 H48 Cl2 N6 O6 -","2","1","","Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla","Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid","IUCrJ","2020","7","2","173","183","10.1107/S205225251901604X","","x-ray","1.54184","CuKα","","0.0583","0.0495","","","0.1406","0.1551","","","","","","1.047","","","","has coordinates","249077","2020-10-21","18:00:00",""
"1557483","10.8864","0.0007","12.2705","0.0007","13.7811","0.001","106.966","0.006","105.782","0.006","103.324","0.005","1595.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H34 Cl2 N4 O4 -","- C35 H34 Cl2 N4 O4 -","- C70 H68 Cl4 N8 O8 -","2","1","","Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla","Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid","IUCrJ","2020","7","2","173","183","10.1107/S205225251901604X","","x-ray","0.71073","MoKα","","0.106","0.0755","","","0.1831","0.2038","","","","","","1.058","","","","has coordinates,has disorder","249077","2020-10-21","18:00:00",""
"1557484","6.7049","0.0003","7.2778","0.0003","14.163","0.0006","77.167","0.004","79.908","0.003","65.487","0.004","610.42","0.05","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C28 H24 Cl2 N2 O4 -","2","1","","Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla","Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid","IUCrJ","2020","7","2","173","183","10.1107/S205225251901604X","","x-ray","0.71073","MoKα","","0.0842","0.0792","","","0.2157","0.2204","","","","","","1.06","","","","has coordinates","249077","2020-10-21","18:00:00",""
"1557485","10.4803","0.0006","11.8423","0.0009","13.3309","0.0008","94.335","0.005","95.883","0.005","102.871","0.006","1596.16","0.19","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 Cl N2 O3 -","- C17 H19 Cl N2 O3 -","- C68 H76 Cl4 N8 O12 -","4","2","","Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla","Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid","IUCrJ","2020","7","2","173","183","10.1107/S205225251901604X","","x-ray","0.71073","MoKα","","0.0786","0.0527","","","0.1072","0.1202","","","","","","1.042","","","","has coordinates","249077","2020-10-21","18:00:00",""
"1557486","7.7575","0.0008","9.4727","0.0007","13.3076","0.0013","87.515","0.007","78.596","0.008","74.174","0.008","922.2","0.15","100.02","0.1","100.02","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N3 O2 -","- C22 H25 N3 O2 -","- C44 H50 N6 O4 -","2","1","","Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla","Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid","IUCrJ","2020","7","2","173","183","10.1107/S205225251901604X","","x-ray","0.71073","MoKα","","0.0779","0.0621","","","0.1269","0.1361","","","","","","1.104","","","","has coordinates,has disorder","249077","2020-10-21","18:00:00",""
"1557487","7.7248","0.0003","8.0592","0.0003","16.2531","0.0007","101.711","0.004","98.743","0.004","90.16","0.003","978.68","0.07","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H27 N3 O3 -","- C22 H27 N3 O3 -","- C44 H54 N6 O6 -","2","1","","Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla","Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid","IUCrJ","2020","7","2","173","183","10.1107/S205225251901604X","","x-ray","0.71073","MoKα","","0.0418","0.0379","","","0.0937","0.0962","","","","","","1.035","","","","has coordinates","249077","2020-10-21","18:00:00",""
"1557488","10.7678","0.0008","11.9673","0.001","13.786","0.0011","106.152","0.007","105.842","0.007","103.49","0.007","1546.9","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C37 H40 N4 O4 -","- C37 H40 N4 O4 -","- C74 H80 N8 O8 -","2","1","","Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla","Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid","IUCrJ","2020","7","2","173","183","10.1107/S205225251901604X","","x-ray","1.54184","CuKα","","0.0807","0.0637","","","0.1701","0.1862","","","","","","1.036","","","","has coordinates,has disorder","249077","2020-10-21","18:00:00",""
"1557660","5.5195","0.0011","9.4058","0.0019","26.283","0.005","90","","90.84","0.03","90","","1364.3","0.5","113","2","113.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H24 O4 -","- C13 H24 O4 -","- C52 H96 O16 -","4","1","LQ5027","Shi, Peng; Xu, Shijie; Ma, Yiming; Tang, Weiwei; Zhang, Feng; Wang, Jingkang; Gong, Junbo","Probing the structural pathway of conformational polymorph nucleation by comparing a series of α,ω-alkanedicarboxylic acids","IUCrJ","2020","7","3","","","10.1107/S205225252000233X","","","0.71073","MoKα","","0.0808","0.0573","","","0.1826","0.2351","","","","","","1.024","","","","has coordinates","249730","2020-10-21","18:00:00",""
"1557661","5.4671","0.0003","9.2806","0.0005","29.827","0.0014","90","","94.449","0.004","90","","1508.8","0.14","128.15","","128.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 O4 -","- C15 H28 O4 -","- C60 H112 O16 -","4","1","","Shi, Peng; Xu, Shijie; Ma, Yiming; Tang, Weiwei; Zhang, Feng; Wang, Jingkang; Gong, Junbo","Probing the structural pathway of conformational polymorph nucleation by comparing a series of α,ω-alkanedicarboxylic acids","IUCrJ","2020","7","3","","","10.1107/S205225252000233X","","x-ray","0.71073","MoKα","","0.0688","0.0479","","","0.114","0.1302","","","","","","1.04","","","","has coordinates","249730","2020-10-21","18:00:00",""
"1557713","2.9647","0.0004","2.9647","0.0004","13.8892","0.0003","90","","90","","120","","105.72","0.02","100","","100","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- D2.15 Mg2.28 O6 Si1.32 -","- D2.14564 Mg2.28194 O6 Si1.31946 -","- D2.14564 Mg2.28194 O6 Si1.31946 -","1","0.0277778","","Purevjav, Narangoo; Okuchi, Takuo; Hoffmann, Christina","Strong hydrogen bonding in a dense hydrous magnesium silicate discovered by neutron Laue diffraction","IUCrJ","2020","7","3","","","10.1107/S2052252520003036","powder diffraction","","","neutron","","","0.061","","","","0.053","","","2.02","","","","","","","has coordinates","249959","2020-10-21","18:00:00",""
"1559218","27.0597","0.0016","27.0597","0.0016","8.5587","0.0006","90","","90","","120","","5427.3","0.6","293","2","293","2","","","","","","","","5","P 3","P 3","143","kaliophilite","","","- Al27 K24.67 Na2.33 O108 Si27 -","- Al27 K24.6685 Na2.3315 O108 Si27 -","- Al54 K49.337 Na4.663 O216 Si54 -","2","0.666667","","Mugnaioli, Enrico; Bonaccorsi, Elena; Lanza, Arianna E.; Elkaim, Erik; Diez-Gómez, Virginia; Sobrados, Isabel; Gemmi, Mauro; Gregorkiewitz, Miguel","The structure of kaliophilite KAlSiO~4~, a long-lasting crystallographic problem","IUCrJ","2020","7","6","","","10.1107/S2052252520012270","","","0.71073","MoKα","","0.0898","0.0768","","","0.1733","0.1822","","","","","","1.021","","","","has coordinates","256824","2020-10-21","18:00:00",""
"1559398","7.7819","0.0004","10.0468","0.0005","23.6401","0.0013","90","","90","","90","","1848.26","0.17","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O5 -","- C21 H28 O5 -","- C84 H112 O20 -","4","1","","Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo","Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution","IUCrJ","2020","7","6","","","10.1107/S2052252520013263","","","0.71073","MoKα","","0.0793","0.0504","","","0.1136","0.1268","","","","","","1.029","","","","has coordinates","258575","2020-10-23","04:59:49",""
"1559399","7.7442","0.0006","10.0968","0.0008","23.675","0.0019","90","","90","","90","","1851.2","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28.74 O5 -","- C21 H28.74 O5 -","- C84 H114.96 O20 -","4","1","","Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo","Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution","IUCrJ","2020","7","6","","","10.1107/S2052252520013263","","","0.71073","MoKα","","0.1886","0.0747","","","0.123","0.1611","","","","","","0.981","","","","has coordinates","258575","2020-10-23","04:59:56",""
"1559400","7.7308","0.0007","10.1237","0.0009","23.694","0.002","90","","90","","90","","1854.4","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29.27 O5 -","- C21 H29.26 O5 -","- C84 H117.04 O20 -","4","1","","Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo","Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution","IUCrJ","2020","7","6","","","10.1107/S2052252520013263","","","0.71073","MoKα","","0.2847","0.0715","","","0.1271","0.1907","","","","","","0.967","","","","has coordinates","258575","2020-10-23","04:59:57",""
"1559401","7.6953","0.0009","10.1268","0.0011","23.619","0.003","90","","90","","90","","1840.6","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29.48 O5 -","- C21 H29.48 O5 -","- C84 H117.92 O20 -","4","1","","Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo","Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution","IUCrJ","2020","7","6","","","10.1107/S2052252520013263","","","0.71073","MoKα","","0.118","0.1038","","","0.3033","0.315","","","","","","1.048","","","","has coordinates","258575","2020-10-23","04:59:57",""
"1559402","10.1439","0.0014","12.4255","0.0016","30.496","0.005","90","","90","","90","","3843.8","1","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O5 -","- C21 H30 O5 -","- C168 H240 O40 -","8","2","","Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo","Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution","IUCrJ","2020","7","6","","","10.1107/S2052252520013263","","","1.54178","CuKα","","0.4719","0.098","","","0.2175","0.3915","","","","","","0.828","","","","has coordinates","258575","2020-10-23","04:59:57",""
"1559421","14.7759","0.0003","14.7759","0.0003","29.8577","0.0007","90","","90","","90","","6518.7","0.2","100","","100","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0411","0.038","","","0.0478","0.0484","","","","2.8","2.8","2.69","","","","has coordinates","258644","2020-10-30","05:35:28",""
"1559422","14.7908","0.0003","14.7908","0.0003","29.8489","0.0007","90","","90","","90","","6530","0.2","119.97","0.19","120","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0417","0.0387","","","0.0939","0.0953","","","","2.59","2.59","2.5","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559423","14.8076","0.0003","14.8076","0.0003","29.8449","0.0008","90","","90","","90","","6543.9","0.3","140","","140","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0416","0.0386","","","0.0925","0.0946","","","","2.49","2.49","2.42","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559424","14.8239","0.0004","14.8239","0.0004","29.8395","0.0008","90","","90","","90","","6557.2","0.3","160.01","0.1","160","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.042","0.0385","","","0.0928","0.0946","","","","2.46","2.46","2.38","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559425","14.8206","0.0007","14.8206","0.0007","29.8617","0.0014","90","","90","","90","","6559.1","0.5","160","","160","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N2.995 Ni O2.99 -","- C320 H240 N47.92 Ni16 O47.84 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.058","0.0499","","","0.1137","0.1176","","","","2.58","2.58","2.43","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559426","14.8394","0.0003","14.8394","0.0003","29.832","0.0008","90","","90","","90","","6569.2","0.3","180","","180","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0438","0.0399","","","0.0957","0.0983","","","","2.45","2.45","2.36","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559427","14.8477","0.0003","14.8477","0.0003","29.8554","0.0005","90","","90","","90","","6581.7","0.2","180","","180","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0421","0.0374","","","0.0912","0.0937","","","","2.2","2.2","2.11","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559428","14.8584","0.0003","14.8584","0.0003","29.828","0.0008","90","","90","","90","","6585.2","0.3","200","","200","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N2.999 Ni O2.998 -","- C320 H240 N47.984 Ni16 O47.968 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0424","0.0389","","","0.0943","0.0965","","","","2.47","2.47","2.39","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559429","14.8663","0.0003","14.8663","0.0003","29.841","0.0005","90","","90","","90","","6595.1","0.2","200","","200","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0453","0.0415","","","0.1","0.102","","","","2.56","2.56","2.46","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559430","14.8778","0.0003","14.8778","0.0003","29.8291","0.0006","90","","90","","90","","6602.6","0.2","220","","220","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0395","0.0369","","","0.0906","0.0919","","","","2.5","2.5","2.42","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559431","14.893","0.0006","14.893","0.0006","29.829","0.0013","90","","90","","90","","6616.1","0.5","240","","240","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0992","0.0934","","","0.2251","0.2272","","","","4.76","4.76","4.4","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559432","14.8976","0.0003","14.8976","0.0003","29.8244","0.0006","90","","90","","90","","6619.2","0.2","240","","240","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0402","0.0375","","","0.0464","0.0472","","","","2.48","2.48","2.39","","","","has coordinates","258644","2020-10-30","05:35:31",""