# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T09:53:45+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 = 8 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
"1559801","9.54396","0.0002","18.2455","0.0004","5.3266","0.00012","90","","101.883","0.002","90","","907.67","0.03","293","2","293","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- Al0.17 Ca0.18 F0.08 Fe5.4 H1.92 Mg1.25 O23.92 Si8 -","- Al0.173 Ca0.184 F0.08 Fe5.399 H1.92 Mg1.244 O23.92 Si8 -","- Al0.346 Ca0.368 F0.16 Fe10.798 H3.84 Mg2.488 O47.84 Si16 -","2","0.25","","Giacobbe, Carlotta; Di Giuseppe, Dario; Zoboli, Alessandro; Lassinantti Gualtieri, Magdalena; Bonasoni, Paola; Moliterni, Anna; Corriero, Nicola; Altomare, Angela; Wright, Jonathan; Gualtieri, Alessandro F.","Crystal structure determination of a lifelong biopersistent asbestos fibre using single-crystal synchrotron X-ray micro-diffraction","IUCrJ","2021","8","1","76","86","10.1107/S2052252520015079","","x-ray","0.30909","synchrotron","","0.0485","0.045","","","0.157","0.1589","","","","","","1.296","","","","has coordinates","261805","2021-02-05","14:55:01",""
"1559802","9.5343","0.0002","18.221","0.0004","5.3202","0.0002","90","","101.846","0.003","90","","904.57","0.04","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- Al0.22 Ca0.17 Fe5.3 H2 Mg1.31 O24 Si8 -","- Al0.215 Ca0.172 Fe5.301 H2 Mg1.312 O24 Si8 -","- Al0.43 Ca0.344 Fe10.602 H4 Mg2.624 O48 Si16 -","2","0.25","","Giacobbe, Carlotta; Di Giuseppe, Dario; Zoboli, Alessandro; Lassinantti Gualtieri, Magdalena; Bonasoni, Paola; Moliterni, Anna; Corriero, Nicola; Altomare, Angela; Wright, Jonathan; Gualtieri, Alessandro F.","Crystal structure determination of a lifelong biopersistent asbestos fibre using single-crystal synchrotron X-ray micro-diffraction","IUCrJ","2021","8","1","76","86","10.1107/S2052252520015079","","x-ray","0.30911","synchrotron","","0.0558","0.0536","","","0.1343","0.1353","","","","","","1.232","","","","has coordinates","261805","2021-02-05","14:55:01",""
"1559807","15.4357","","20.01","","4.7994","","90","","91.728","","90","","1481.71","","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Kaatialaite","","","- As3 Fe H16 O17 -","- As3 Fe H16 O17 -","- As12 Fe4 H64 O68 -","4","1","","Steciuk, Gwladys; Majzlan, Juraj; Plášil, Jakub","Hydrogen disorder in kaatialaite Fe[AsO~2~(OH)~2~]5H~2~O from Jáchymov, Czech Republic: determination from low-temperature 3D electron diffraction","IUCrJ","2021","8","1","116","123","10.1107/S2052252520015626","","electron","0.0251","electron","","0.4453","0.1082","","","0.1007","0.1272","","","","0","0","1.27","","","","has coordinates","261804","2021-02-05","14:54:53",""
"1559957","18.7488","","7.1526","","29.1812","","90","","93.7725","","90","","3904.8","","298","","298","","","","","","","","","6","C 1 2/n 1","-C 2yac","15","Sodium Saccharinate 1.875-Hydrate","","","- C7 H4 N Na O4.875 S -","- C7 H4 N Na O5.10945 S -","- C112 H64 N16 Na16 O81.7512 S16 -","16","2","","Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander","Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate","IUCrJ","2021","8","1","139","147","10.1107/S2052252520015912","","x-ray","0.5","synchrotron","","0.1659","0.0548","","","0.0489","0.0567","","","","2.32","2.32","1.74","","","","has coordinates","261806","2021-02-05","14:57:46",""
"1559958","18.747","","7.1519","","29.1807","","90","","93.7723","","90","","3903.97","","298","","298","","","","","","","","","6","C 1 2/n 1","-C 2yac","15","Sodium Saccharinate 1.875-Hydrate","","","- C7 H4 N Na O4.875 S -","- C7 H4 N Na O5.10945 S -","- C112 H64 N16 Na16 O81.7512 S16 -","16","2","","Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander","Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate","IUCrJ","2021","8","1","139","147","10.1107/S2052252520015912","","x-ray","0.5","synchrotron","","0.1347","0.0539","","","0.0512","0.0563","","","","2.55","2.55","1.95","","","","has coordinates","261806","2021-02-05","14:57:46",""
"1559959","18.6705","","7.123","0.0001","29.1292","0.0001","90","","93.6645","","90","","3865.97","0.06","210","","210","","","","","","","","","6","C 1 2/n 1","-C 2yac","15","Sodium Saccharinate 1.875-Hydrate","","","- C7 H4 N Na O4.875 S -","- C7 H4 N Na O5.1094 S -","- C112 H64 N16 Na16 O81.7504 S16 -","16","2","","Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander","Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate","IUCrJ","2021","8","1","139","147","10.1107/S2052252520015912","","x-ray","0.5","synchrotron","","0.1159","0.0518","","","0.0505","0.0544","","","","2.53","2.53","2.04","","","","has coordinates","261806","2021-02-05","14:57:46",""
"1559960","18.5979","","7.0922","","29.0731","","90","","93.5819","0.0001","90","","3827.25","0.0004","90","","90","","","","","","","","","6","C 1 2/n 1","-C 2yac","15","Sodium Saccharinate 1.875-Hydrate","","","- C7 H4 N Na O4.875 S -","- C7 H4 N Na O5.1094 S -","- C112 H64 N16 Na16 O81.7504 S16 -","16","2","","Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander","Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate","IUCrJ","2021","8","1","139","147","10.1107/S2052252520015912","","x-ray","0.5","synchrotron","","0.0883","0.0486","","","0.0511","0.0534","","","","2.73","2.73","2.32","","","","has coordinates","261806","2021-02-05","14:57:46",""
"1559961","18.5729","0.0001","7.0819","0.0001","29.0233","0.0001","89.9808","0.0013","93.511","0.0001","89.9763","0.0014","3810.31","0.06","40","","40","","","","","","","","","6","C -1","-C 1","2","Sodium Saccharinate 1.875-Hydrate","","","- C7 H4 N Na O4.875 S -","- C7 H4 N Na O5.1091 S -","- C112 H64 N16 Na16 O81.7456 S16 -","16","","","Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander","Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate","IUCrJ","2021","8","1","139","147","10.1107/S2052252520015912","","x-ray","0.5","synchrotron","","0.1065","0.0582","","","0.059","0.061","","","","3","3","2.49","","","","has coordinates","261806","2021-02-05","14:57:46",""
"1560041","7.7162","0.0008","8.9727","0.0009","16.9089","0.0017","86.559","0.006","78.838","0.006","66.314","0.005","1051.59","0.19","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H22 N4 O8 -","- C20 H22 N4 O8 -","- C40 H44 N8 O16 -","2","2","YC5029","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.0673","0.0477","","","0.1004","0.1272","","","","","","1.052","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560042","7.658","0.002","9.277","0.003","15.152","0.005","79.304","0.006","82.008","0.006","65.214","0.005","958","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H23 N4 O4 -","- C18 H23 N4 O4 -","- C36 H46 N8 O8 -","2","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.127","0.0781","","","0.2296","0.2532","","","","","","1.109","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560043","9.2447","0.0009","14.4694","0.0013","19.3202","0.0018","93.232","0.007","102.634","0.007","97.795","0.007","2488.6","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H23 N3 O3.99 -","- C32 H23 N3 O3.9875 -","- C128 H92 N12 O15.95 -","4","2","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.089","0.0567","","","0.1419","0.1588","","","","","","1.035","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560044","8.7482","0.0014","14.926","0.003","10.2464","0.0017","90","","110.165","0.008","90","","1255.9","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 N3 O4 -","- C12 H13 N3 O4 -","- C48 H52 N12 O16 -","4","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.0924","0.0566","","","0.162","0.1989","","","","","","1.02","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560045","7.7638","0.0014","8.5897","0.0015","12.723","0.002","105.585","0.007","102.978","0.007","95.062","0.007","786.4","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N3 O4 -","- C19 H15 N3 O4 -","- C38 H30 N6 O8 -","2","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.089","0.053","","","0.1414","0.1769","","","","","","1.035","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560046","7.3217","0.0008","11.6513","0.0013","13.9987","0.0016","105.915","0.007","102.665","0.007","91.242","0.006","1116.2","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N5 O4 -","- C26 H21 N5 O4 -","- C52 H42 N10 O8 -","2","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.0519","0.0397","","","0.0945","0.1041","","","","","","1.045","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560047","7.4323","0.001","9.1138","0.0012","14.562","0.002","106.397","0.007","103.133","0.007","90.486","0.006","918.7","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H34 N8 O8 -","- C42 H34 N8 O8 -","- C42 H34 N8 O8 -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.0582","0.0453","","","0.1266","0.1424","","","","","","1.07","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560048","17.802","0.003","7.5355","0.0011","12.5671","0.0019","90","","91.187","0.006","90","","1685.5","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N3 O4 -","- C18 H17 N3 O4 -","- C72 H68 N12 O16 -","4","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.1016","0.0736","","","0.1832","0.1989","","","","","","1.086","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560049","17.9122","0.0013","7.4259","0.0005","12.1765","0.0008","90","","92.337","0.007","90","","1618.3","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N3 O4 -","- C18 H15 N3 O4 -","- C72 H60 N12 O16 -","4","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.0563","0.0425","","","0.1008","0.1078","","","","","","1.027","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560050","18.213","0.003","7.2967","0.0013","11.94","0.002","90","","92.967","0.007","90","","1584.6","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N5 O4 -","- C16 H13 N5 O4 -","- C64 H52 N20 O16 -","4","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.0743","0.0577","","","0.1393","0.1492","","","","","","1.039","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560051","7.7563","0.0012","8.1082","0.0013","16.24","0.003","97.387","0.007","95.164","0.007","95.007","0.007","1003.7","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 N5 O4 -","- C20 H25 N5 O4 -","- C40 H50 N10 O8 -","2","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.0722","0.0557","","","0.1332","0.1444","","","","","","1.077","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560052","10.1301","0.0013","12.6967","0.0017","10.3338","0.0014","90","","99.17","0.007","90","","1312.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N3 O4 -","- C13 H15 N3 O4 -","- C52 H60 N12 O16 -","4","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.0457","0.0382","","","0.0898","0.0938","","","","","","1.034","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560053","7.7925","0.0013","12.885","0.002","12.398","0.002","90","","104.054","0.007","90","","1207.6","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H26 N3 O4 -","- C29 H26 N3 O4 -","- C58 H52 N6 O8 -","2","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.1464","0.0905","","","0.2407","0.276","","","","","","1.051","","","","has coordinates,has disorder","262771","2021-03-05","18:43:31",""
"1560054","13.337","0.003","13.504","0.003","16.069","0.003","75.831","0.005","66.422","0.005","67.934","0.005","2442.9","0.9","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H50 N6 O8 -","- C58 H50 N6 O8 -","- C116 H100 N12 O16 -","2","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.2019","0.0873","","","0.2244","0.2836","","","","","","1.039","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560055","7.5319","0.0007","8.6425","0.0008","15.3925","0.0014","78.729","0.006","75.782","0.005","89.099","0.006","951.99","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H46 N8 O8 -","- C40 H46 N8 O8 -","- C40 H46 N8 O8 -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.0526","0.0432","","","0.114","0.1237","","","","","","1.066","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560056","7.4104","0.0007","8.8964","0.0009","15.7722","0.0015","95.531","0.007","101.446","0.007","111.676","0.008","930.47","0.17","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H42 N8 O8 -","- C38 H42 N8 O8 -","- C38 H42 N8 O8 -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.0682","0.0517","","","0.1371","0.1503","","","","","","1.055","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560057","7.6512","0.0011","8.9495","0.0013","18.121","0.003","87.883","0.006","78.725","0.006","65.728","0.005","1108","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 N3 O4 S2 -","- C22 H23 N3 O4 S2 -","- C44 H46 N6 O8 S4 -","2","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.0892","0.0671","","","0.1878","0.2055","","","","","","1.066","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560058","7.684","0.0018","9.266","0.002","18.043","0.004","96.343","0.007","94.419","0.007","107.054","0.007","1212.5","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H50 N6 O8 -","- C62 H50 N6 O8 -","- C62 H50 N6 O8 -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.1418","0.0855","","","0.2084","0.2544","","","","","","0.95","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560059","7.7634","0.0012","8.9486","0.0014","16.368","0.003","83.021","0.006","82.842","0.006","88.111","0.006","1119.7","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H52 N8 O8 -","- C50 H52 N8 O8 -","- C50 H52 N8 O8 -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.0865","0.063","","","0.1944","0.2061","","","","","","1.105","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560060","7.5543","0.0017","8.914","0.002","14.713","0.003","85.797","0.007","88.497","0.006","89.487","0.006","987.7","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H42 N8 O8 -","- C42 H42 N8 O8 -","- C42 H42 N8 O8 -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.1221","0.0629","","","0.1624","0.1925","","","","","","1.032","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560061","7.504","0.003","9.428","0.004","14.102","0.006","94.052","0.008","91.192","0.007","90.498","0.008","994.9","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H40 N8 O8 -","- C42 H40 N8 O8 -","- C42 H40 N8 O8 -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.2708","0.0931","","","0.1895","0.2601","","","","","","0.944","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560062","7.489","0.003","9.107","0.003","14.187","0.005","97.784","0.007","93.611","0.007","90.872","0.006","956.5","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 N6 O8 S2 -","- C40 H40 N6 O8 S2 -","- C40 H40 N6 O8 S2 -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.1682","0.089","","","0.2229","0.2651","","","","","","1.08","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560063","7.514","0.003","9.272","0.003","13.852","0.005","83.832","0.007","89.887","0.007","88.173","0.007","959","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H38 N6 O8 S2 -","- C40 H38 N6 O8 S2 -","- C40 H38 N6 O8 S2 -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.1301","0.0784","","","0.2175","0.2416","","","","","","1.108","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560064","7.4741","0.0015","9.2215","0.0019","14.295","0.003","96.245","0.007","92.609","0.007","92.314","0.007","977.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H41 N7 O8 S -","- C41 H41 N7 O8 S -","- C41 H41 N7 O8 S -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.0973","0.0697","","","0.1577","0.1704","","","","","","1.134","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560065","7.4078","0.0012","9.3192","0.0015","13.815","0.002","94.239","0.007","91.445","0.006","90.299","0.006","950.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H39 N7 O8 S -","- C41 H39 N7 O8 S -","- C41 H39 N7 O8 S -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.0971","0.058","","","0.1265","0.1459","","","","","","1.046","","","","has coordinates,has disorder","262771","2021-03-05","18:43:31",""
"1560066","9.302","0.003","9.394","0.002","17.66","0.006","90","","104.075","0.016","90","","1496.9","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cl2 N2 O2 -","- C14 H16 Cl2 N2 O2 -","- C56 H64 Cl8 N8 O8 -","4","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.1639","0.0791","","","0.1969","0.339","","","","","","1.012","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560067","10.807","0.005","12.145","0.005","12.466","0.006","108.22","0.008","104.061","0.007","101.072","0.007","1442.4","1.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H48 Cl4 N10 O4 -","- C72 H48 Cl4 N10 O4 -","- C72 H48 Cl4 N10 O4 -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.1675","0.088","","","0.2076","0.2692","","","","","","0.974","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560068","8.188","0.012","15.73","0.02","11.247","0.016","90","","110.491","0.016","90","","1357","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl2 N2 O2 -","- C12 H12 Cl2 N2 O2 -","- C48 H48 Cl8 N8 O8 -","4","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.0925","0.0666","","","0.1824","0.2057","","","","","","1.04","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560069","42.727","0.011","8.899","0.003","22.92","0.006","90","","114.062","0.008","90","","7958","4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H42 Cl4 N4 O4 -","- C44 H42 Cl4 N4 O4 -","- C352 H336 Cl32 N32 O32 -","8","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.0929","0.0525","","","0.1038","0.117","","","","","","1.019","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560070","33.873","0.007","10.374","0.002","18.332","0.004","90","","91.186","0.006","90","","6440","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H54 Cl4 N4 O4 -","- C84 H54 Cl4 N4 O4 -","- C336 H216 Cl16 N16 O16 -","4","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.201","0.0776","","","0.161","0.205","","","","","","1.048","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560071","8.8453","0.0013","10.4891","0.0015","12.694","0.0019","94.129","0.007","94.866","0.007","98.239","0.007","1157.1","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Cl2 N2 O2 -","- C28 H22 Cl2 N2 O2 -","- C56 H44 Cl4 N4 O4 -","2","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.0599","0.0428","","","0.1188","0.1471","","","","","","1.078","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560072","17.219","0.005","22.693","0.007","18.331","0.005","90","","91.312","0.006","90","","7161","4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C80 H66 Cl8 N8 O8 -","- C80 H66 Cl8 N8 O8 -","- C320 H264 Cl32 N32 O32 -","4","2","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.1864","0.1229","","","0.3145","0.359","","","","","","1.026","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560131","19.932","0.004","4.461","0.0009","24.275","0.005","90","","97.73","0.03","90","","2138.8","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N4 O10 -","- C23 H20 N4 O10 -","- C92 H80 N16 O40 -","4","1","","Xia, Yanming; Wei, Yuanfeng; Chen, Hui; Qian, Shuai; Zhang, Jianjun; Gao, Yuan","Competitive cocrystallization and its application in the separation of flavonoids","IUCrJ","2021","8","2","195","207","10.1107/S2052252520015997","","","0.71073","MoKα","","0.1382","0.0683","","","0.1569","0.1902","","","","","","1.002","","","","has coordinates","262770","2021-03-05","18:42:49",""
"1560861","6.4256","0.0006","7.7129","0.0008","11.9856","0.0011","98.709","0.008","101.8","0.008","104.3","0.008","550.52","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 N2 Ni O2 -","- C26 H32 N2 Ni O2 -","- C26 H32 N2 Ni O2 -","1","0.5","","Shiryaev, Alexey A.; Burkhanova, Tatyana M.; Mitoraj, Mariusz P.; Kukulka, Mercedes; Sagan, Filip; Mahmoudi, Ghodrat; Babashkina, Maria G.; Bolte, Michael; Safin, Damir A.","Supramolecular structures of NiII and CuII with the sterically demanding Schiff base dyes driven by cooperative action of preagostic and other non-covalent interactions","IUCrJ","2021","8","3","","","10.1107/S2052252521000610","","","0.71073","MoKα","","0.0592","0.0496","","","0.1056","0.1094","","","","","","1.151","","","","has coordinates","262797","2021-03-06","06:34:40",""
"1560862","6.4641","0.0004","7.7224","0.0005","11.9925","0.0007","97.647","0.005","101.861","0.005","105.261","0.005","553.99","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 Cu N2 O2 -","- C26 H32 Cu N2 O2 -","- C26 H32 Cu N2 O2 -","1","0.5","","Shiryaev, Alexey A.; Burkhanova, Tatyana M.; Mitoraj, Mariusz P.; Kukulka, Mercedes; Sagan, Filip; Mahmoudi, Ghodrat; Babashkina, Maria G.; Bolte, Michael; Safin, Damir A.","Supramolecular structures of NiII and CuII with the sterically demanding Schiff base dyes driven by cooperative action of preagostic and other non-covalent interactions","IUCrJ","2021","8","3","","","10.1107/S2052252521000610","","","0.71073","MoKα","","0.0252","0.0251","","","0.0692","0.0693","","","","","","1.103","","","","has coordinates","262797","2021-03-06","06:34:41",""
"1560863","6.0847","0.0003","10.5704","0.0007","20.8597","0.0011","90","","97.882","0.004","90","","1328.97","0.13","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 N2 Ni O2 -","- C34 H36 N2 Ni O2 -","- C68 H72 N4 Ni2 O4 -","2","0.5","","Shiryaev, Alexey A.; Burkhanova, Tatyana M.; Mitoraj, Mariusz P.; Kukulka, Mercedes; Sagan, Filip; Mahmoudi, Ghodrat; Babashkina, Maria G.; Bolte, Michael; Safin, Damir A.","Supramolecular structures of NiII and CuII with the sterically demanding Schiff base dyes driven by cooperative action of preagostic and other non-covalent interactions","IUCrJ","2021","8","3","","","10.1107/S2052252521000610","","","0.71073","MoKα","","0.0527","0.0372","","","0.0806","0.0879","","","","","","1.106","","","","has coordinates","262797","2021-03-06","06:34:41",""
"1560864","11.0325","0.001","5.6889","0.0003","21.554","0.002","90","","99.41","0.007","90","","1334.59","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 Cu N2 O2 -","- C34 H36 Cu N2 O2 -","- C68 H72 Cu2 N4 O4 -","2","0.5","","Shiryaev, Alexey A.; Burkhanova, Tatyana M.; Mitoraj, Mariusz P.; Kukulka, Mercedes; Sagan, Filip; Mahmoudi, Ghodrat; Babashkina, Maria G.; Bolte, Michael; Safin, Damir A.","Supramolecular structures of NiII and CuII with the sterically demanding Schiff base dyes driven by cooperative action of preagostic and other non-covalent interactions","IUCrJ","2021","8","3","","","10.1107/S2052252521000610","","","0.71073","MoKα","","0.0455","0.0373","","","0.0812","0.0842","","","","","","1.137","","","","has coordinates","262797","2021-03-06","06:34:41",""
"1563356","6.7493","0.0001","10.072","0.0001","20.462","0.006","90","","94.781","0.001","90","","1386.1","0.4","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.0441","0.0441","","","0.0862","0.0872","","","","","","1.139","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563357","6.7637","","10.0716","","20.4697","0.0002","90","","94.79","","90","","1389.55","0.014","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","1.54184","","","0.028","0.028","","","0.0374","0.039","","","","","","1.083","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563358","6.7832","","10.0779","","20.4867","0.0002","90","","94.754","","90","","1395.66","0.014","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","","","0.0301","0.0301","","","0.0371","0.0389","","","","","","0.982","","","","has coordinates,has disorder","288248","2023-12-12","12:55:27",""
"1563359","6.7983","","10.0786","","20.4949","0.0002","90","","94.744","","90","","1399.44","0.014","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","1.54184","","","0.0314","0.0314","","","0.0381","0.0394","","","","","","1.271","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563360","6.8159","","10.0882","","20.5143","","90","","94.74","","90","","1405.74","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.0377","0.0377","","","0.034","0.0369","","","","","","0.94","","","","has coordinates,has disorder","288248","2023-12-12","12:55:27",""
"1563361","6.8491","","10.096","0.0002","20.5281","0.0003","90","","94.735","","90","","1414.64","0.03","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.0408","0.0408","","","0.0356","0.0378","","","","","","1.111","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563362","6.855","","10.0998","","20.5333","0.0002","90","","94.69","","90","","1416.84","0.014","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.0426","0.0426","","","0.0334","0.0357","","","","","","1.052","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563363","6.8717","0.0001","10.105","0.0001","20.5512","0.0002","90","","94.688","0.001","90","","1422.27","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.0441","0.0441","","","0.0414","0.0463","","","","","","0.832","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563364","6.8752","","10.1004","0.0002","20.5391","0.0004","90","","94.709","0.002","90","","1421.47","0.04","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.0432","0.0432","","","0.0384","0.0427","","","","","","0.84","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563365","6.9337","0.0008","10.1217","0.0007","20.599","0.002","90","","94.713","0.009","90","","1440.8","0.2","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.0418","0.0418","","","0.0267","0.0284","","","","","","0.408","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563366","6.9626","0.0001","10.1312","0.0009","20.609","0.002","90","","94.7","","90","","1448.86","0.19","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.0567","0.0567","","","0.0518","0.0537","","","","","","1.328","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563367","6.8312","0.0004","10.0839","0.0001","20.5232","0.0001","90","","94.635","0.006","90","","1409.12","0.08","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.1295","0.1295","","","0.0576","0.0799","","","","","","0.733","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563368","6.7445","0.0003","10.0486","0.0001","20.4539","0.0001","90","","94.589","0.004","90","","1381.77","0.06","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.1308","0.1308","","","0.0689","0.0962","","","","","","1.804","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563369","6.6277","0.0004","10.005","0.0001","20.3418","0.0001","90","","94.609","0.005","90","","1344.51","0.08","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.1231","0.1231","","","0.0633","0.0715","","","","","","1.27","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563370","6.5155","0.0003","9.9444","0.0001","20.2293","0.0001","90","","94.662","0.004","90","","1306.38","0.06","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.1119","0.1119","","","0.0611","0.0723","","","","","","1.373","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563371","6.4387","0.0002","9.9135","0.0001","20.1349","0.0001","90","","94.729","0.003","90","","1280.84","0.04","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.1167","0.1167","","","0.0683","0.0853","","","","","","1.565","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563372","6.259","0.0002","9.8519","0.0001","19.8571","0.0001","90","","95.624","0.004","90","","1218.56","0.04","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.1108","0.1108","","","0.0766","0.0935","","","","","","1.588","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563373","6.2058","0.0003","9.8299","0.0001","19.7739","0.0001","90","","95.781","0.005","90","","1200.12","0.06","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.103","0.103","","","0.0663","0.079","","","","","","1.623","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1564497","9.9071","0.0004","12.7019","0.0005","14.1556","0.0006","90","","92.824","0.002","90","","1779.16","0.13","20","2","20","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H24 Cl2 Co N4 S2 -","- C10 H24 Cl2 Co N4 S2 -","- C40 H96 Cl8 Co4 N16 S8 -","4","1","","Klahn, Emil Andreasen; Damgaard-Møller, Emil; Krause, Lennard; Kibalin, Iurii; Gukasov, Arsen; Tripathi, Shalini; Swain, Abinash; Shanmugam, Maheswaran; Overgaard, Jacob","Quantifying magnetic anisotropy using X-ray and neutron diffraction","IUCrJ","2021","8","5","","","10.1107/S2052252521008290","","","0.2486","synchrotron","","0.07","0.014","","","","0.031","","","","","","1.021","","","","has coordinates","268341","2021-09-01","02:08:36",""
"1564498","9.798","0.004","12.961","0.008","14.636","0.006","90","","92.363","0.008","90","","1857.1","1.6","20","2","20","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H24 Br2 Co N4 S2 -","- C10 H24 Br2 Co N4 S2 -","- C40 H96 Br8 Co4 N16 S8 -","4","1","","Klahn, Emil Andreasen; Damgaard-Møller, Emil; Krause, Lennard; Kibalin, Iurii; Gukasov, Arsen; Tripathi, Shalini; Swain, Abinash; Shanmugam, Maheswaran; Overgaard, Jacob","Quantifying magnetic anisotropy using X-ray and neutron diffraction","IUCrJ","2021","8","5","","","10.1107/S2052252521008290","","","0.2486","synchrotron","","0.056","0.014","","","","0.029","","","","","","0.993","","","","has coordinates","268341","2021-09-01","02:08:40",""
"1564942","7.21024","0.00018","16.4876","0.0005","11.2792","0.0003","90","","90","","90","","1340.87","0.06","100","0.11","100","0.11","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","0.5","FC5056","Tchoń, D.; Makal, A.","Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP","IUCrJ","2021","8","6","","","10.1107/S2052252521009532","","x-ray","0.71073","MoKα","","0.0759","0.0374","","","0.0554","0.0616","","","","","","0.9394","","","","has coordinates","269978","2021-10-16","02:10:39",""
"1564943","7.2462","0.0011","16.536","0.003","11.255","0.003","90","","90","","90","","1348.6","0.5","293.4","0.5","293.4","0.5","","","247000","","","Pressurized to 0.2 GPa and left to stabilize over 24 hours.","","3","P n m a","-P 2ac 2n","62","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","0.5","","Tchoń, D.; Makal, A.","Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP","IUCrJ","2021","8","6","","","10.1107/S2052252521009532","","","0.71073","MoKα","","0.1329","0.0547","","","0.108","0.1352","","","","","","1.0221","","","","has coordinates","269978","2021-10-16","02:10:40",""
"1564944","7.15","0.01","16.17","0.03","11.288","0.009","90","","90","","90","","1305","3","295.4","0.6","295.4","0.6","","","520500","","","Pressurized to 0.5 GPa and left to stabilize over 24 hours.","","3","P n m a","-P 2ac 2n","62","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","0.5","","Tchoń, D.; Makal, A.","Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP","IUCrJ","2021","8","6","","","10.1107/S2052252521009532","","","0.71073","MoKα","","0.0932","0.0341","","","0.0487","0.0602","","","","","","0.9283","","","","has coordinates","269978","2021-10-16","02:10:40",""
"1564945","7.0642","0.0011","16.22","0.002","11.165","0.002","90","","90","","90","","1279.3","0.3","289","10","289","10","","","782500","","","Pressurized to 0.8 GPa and left to stabilize over 24 hours.","","3","P n m a","-P 2ac 2n","62","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","0.5","","Tchoń, D.; Makal, A.","Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP","IUCrJ","2021","8","6","","","10.1107/S2052252521009532","","","0.71073","MoKα","","0.135","0.0561","","","0.1229","0.1529","","","","","","1.0348","","","","has coordinates","269978","2021-10-16","02:10:40",""
"1564946","7.03","0.0009","16.147","0.002","11.1214","0.0019","90","","90","","90","","1262.4","0.3","293","2","293","2","","","969500","","","Pressurized to 1.0 GPa and left to stabilize over 24 hours.","","3","P n 21 a","P -2ac -2n","33","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Tchoń, D.; Makal, A.","Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP","IUCrJ","2021","8","6","","","10.1107/S2052252521009532","","x-ray","0.71073","MoKα","","0.1323","0.0652","","","0.1388","0.1616","","","","","","1.022","","","","has coordinates","269978","2021-10-16","02:10:40",""
"1564947","7.0202","0.0015","16.0775","0.0018","11.161","0.0016","90","","90","","90","","1259.7","0.4","295.4","0.9","295.4","0.9","","","1157500","","","Pressurized to 1.2 GPa and left to stabilize over 24 hours.","","3","P n 21 a","P -2ac -2n","33","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Tchoń, D.; Makal, A.","Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP","IUCrJ","2021","8","6","","","10.1107/S2052252521009532","","x-ray","0.71073","MoKα","","0.1502","0.0753","","","0.1626","0.1997","","","","","","0.992","","","","has coordinates","269978","2021-10-16","02:10:40",""
"1564948","6.9714","0.0016","16.139","0.005","11.072","0.003","90","","90","","90","","1245.7","0.6","294","2","294","2","","","1298000","","","Pressurized to 1.3 GPa and left to stabilize over 24 hours.","","3","P n 21 a","P -2ac -2n","33","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Tchoń, D.; Makal, A.","Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP","IUCrJ","2021","8","6","","","10.1107/S2052252521009532","","x-ray","0.71073","MoKα","","0.1909","0.0892","","","0.2154","0.2581","","","","","","1.012","","","","has coordinates","269978","2021-10-16","02:10:40",""
"1564949","6.8697","0.0019","15.96","0.002","11.1099","0.0018","90","","90","","95.074","0.017","1213.3","0.4","295.4","0.4","295.4","0.4","","","2029000","","","Pressurized to 2.0 GPa and left to stabilize over 24 hours.","","3","P 1 1 21/a","-P 2ac","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Tchoń, D.; Makal, A.","Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP","IUCrJ","2021","8","6","","","10.1107/S2052252521009532","","x-ray","0.71073","MoKα","","0.2303","0.0813","","","0.1556","0.1843","","","","","","0.868","","","","has coordinates","269978","2021-10-16","02:10:40",""