# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-10-01T05:20:38+02:00
# 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 C, Structural chemistry') AND volume = 82 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
"2023554","7.9162","0.0009","13.1285","0.0016","21.944","0.003","101.178","0.002","99.094","0.002","96.991","0.002","2181.7","0.5","100","2","100","2","","","","","","","","3","P 1","P 1","1","Fucoxanthin","(1<i>S</i>,3<i>R</i>)-3-hydroxy-4-[(3<i>Z</i>,5<i>E</i>,7<i>Z</i>,9<i>E</i>,11<i>Z</i>,13<i>E</i>,15<i>Z</i>)-18-{(1<i>S</i>,4<i>S</i>,6<i>R</i>)-4-Hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octaen-1-ylidene]-3,5,5-trimethylcyclohexyl acetate","","- C46 H68 O7 -","- C46 H68 O7 -","- C92 H136 O14 -","2","2","OJ3044","Wakasa, Yui; Minoura, Mao","Crystal structure of fucoxanthin: resolving a long-standing crystallographic challenge","Acta Crystallographica Section C Structural Chemistry","2026","82","10","","","10.1107/S2053229626008946","","","0.4132","synchrotron","","0.05","0.0487","","","0.1314","0.1326","","","","","","1.037","","","","has coordinates","306862","2026-09-04","21:09:37",""
"2023555","16.583","0.011","16.583","0.011","41.67","0.05","90","","90","","120","","9924","15","120","","120","","","","","","","","","5","P 32","P 32","145","","Hydronium μ-hydroxido-μ-isobutyrato-bis[diaquaberyllium(II)] tris[triisobutyratodioxidouranium(VI)] dihydrate","","- C40 H86 Be2 O34 U3 -","- C40 H86 Be2 O34 U3 -","- C240 H516 Be12 O204 U18 -","6","2","DG3086","Pirozhkov, Pavel A.; Yusupova, Maria V.; Vologzhanina, Anna V.; Dorovatovskii, Pavel V.; Savchenkov, Anton V.","Uranyl derivatives: discovering features by comparing related crystal structures","Acta Crystallographica Section C Structural Chemistry","2026","82","10","","","10.1107/S2053229626008119","","","0.71073","MoKα","","0.0471","0.0424","","","0.0761","0.0769","","","","","","1.127","","","","has coordinates,has disorder,has Fobs","306863","2026-09-04","21:10:48",""
"2023556","11.728","0.001","11.7946","0.001","12.7517","0.001","90","","90","","90","","1763.9","0.3","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[tris(μ~4~-isobutyrato)di-μ-oxido-rubidium(I)uranium(VI)]","","- C12 H21 O8 Rb U -","- C12 H21 O8 Rb U -","- C48 H84 O32 Rb4 U4 -","4","1","DG3086","Pirozhkov, Pavel A.; Yusupova, Maria V.; Vologzhanina, Anna V.; Dorovatovskii, Pavel V.; Savchenkov, Anton V.","Uranyl derivatives: discovering features by comparing related crystal structures","Acta Crystallographica Section C Structural Chemistry","2026","82","10","","","10.1107/S2053229626008119","","","0.71073","MoKα","","0.0427","0.0333","","","0.0649","0.0676","","","","","","0.903","","","","has coordinates,has Fobs","306863","2026-09-04","21:10:48",""
"2023557","13","0.003","22.21","0.004","27.97","0.006","106.11","0.03","97.75","0.03","103.67","0.03","7363","3","100","","100","","","","","","","","","5","P -1","-P 1","2","","Poly[pentaaquatetracosa-μ-crotonato-hexadeca-μ-oxido-tetrabarium(II)\ octauranium(VI)]","","- C48 H65 Ba2 O34.5 U4 -","- C48 H65 Ba2 O34.5 U4 -","- C192 H260 Ba8 O138 U16 -","4","2","DG3086","Pirozhkov, Pavel A.; Yusupova, Maria V.; Vologzhanina, Anna V.; Dorovatovskii, Pavel V.; Savchenkov, Anton V.","Uranyl derivatives: discovering features by comparing related crystal structures","Acta Crystallographica Section C Structural Chemistry","2026","82","10","","","10.1107/S2053229626008119","","","0.7527","synchrotron","","0.1607","0.0986","","","0.186","0.21","","","","","","1.18","","","","has coordinates,has disorder,has Fobs","306863","2026-09-04","21:10:48",""
"2023558","11.2986","0.0003","9.6077","0.0003","12.4312","0.0003","90","","90","","90","","1349.45","0.06","100","","100","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Pentaeuropium digallium hexaarsenide","","- As6 Eu5 Ga2 -","- As6 Eu5 Ga2 -","- As24 Eu20 Ga8 -","4","0.5","YP3254","Alam, Md. Rashed; Lane, Robert; Khajkini, Mojib Pourashouri; Baranets, Sviatoslav","Eu5Ga2As6 and Ba5In2As6–x Sb x : new As-containing members of the Sr5Al2Sb6 structure type","Acta Crystallographica Section C Structural Chemistry","2026","82","10","","","10.1107/S2053229626008302","","","0.56086","AgKα","","0.0182","0.0148","","","0.0283","0.029","","","","","","1.075","","","","has coordinates,has Fobs","306864","2026-09-04","21:11:24",""
"2023559","12.0735","0.0003","10.3287","0.0003","13.3046","0.0003","90","","90","","90","","1659.13","0.07","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As5.51 Ba5 In2 Sb0.49 -","- As5.515 Ba5 In2 Sb0.485 -","- As22.06 Ba20 In8 Sb1.94 -","4","0.5","YP3254","Alam, Md. Rashed; Lane, Robert; Khajkini, Mojib Pourashouri; Baranets, Sviatoslav","Eu5Ga2As6 and Ba5In2As6–x Sb x : new As-containing members of the Sr5Al2Sb6 structure type","Acta Crystallographica Section C Structural Chemistry","2026","82","10","","","10.1107/S2053229626008302","","","0.56086","AgKα","","0.0164","0.0156","","","0.0331","0.0333","","","","","","1.271","","","","has coordinates,has Fobs","306864","2026-09-04","21:11:24",""
"2023560","12.2961","0.0004","10.5249","0.0003","13.7557","0.0004","90","","90","","90","","1780.2","0.09","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As3.08 Ba5 In2 Sb2.92 -","- As3.084 Ba5 In2 Sb2.916 -","- As12.336 Ba20 In8 Sb11.664 -","4","0.5","YP3254","Alam, Md. Rashed; Lane, Robert; Khajkini, Mojib Pourashouri; Baranets, Sviatoslav","Eu5Ga2As6 and Ba5In2As6–x Sb x : new As-containing members of the Sr5Al2Sb6 structure type","Acta Crystallographica Section C Structural Chemistry","2026","82","10","","","10.1107/S2053229626008302","","","0.56086","AgKα","","0.0349","0.0332","","","0.0739","0.0751","","","","","","1.144","","","","has coordinates,has Fobs","306864","2026-09-04","21:11:24",""
"2023561","18.9798","0.0006","6.4415","0.0002","12.5646","0.0004","90","","90","","90","","1536.13","0.08","100","","100","","","","","","","","","3","C m c e","-C 2ac 2","64","","","","- As3 Eu3 Ga -","- As3 Eu3 Ga -","- As24 Eu24 Ga8 -","8","0.5","YP3254","Alam, Md. Rashed; Lane, Robert; Khajkini, Mojib Pourashouri; Baranets, Sviatoslav","Eu5Ga2As6 and Ba5In2As6–x Sb x : new As-containing members of the Sr5Al2Sb6 structure type","Acta Crystallographica Section C Structural Chemistry","2026","82","10","","","10.1107/S2053229626008302","","","0.56086","AgKα","","0.019","0.016","","","0.0291","0.0301","","","","","","1.038","","","","has coordinates,has Fobs","306864","2026-09-04","21:11:24",""
"2023562","13.2445","0.0011","16.5273","0.0017","22.826","0.003","90","","90","","90","","4996.5","0.9","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-({[3-<i>tert</i>-Butyl-1-(4-nitrophenyl)-1<i>H</i>-pyrazol-5-yl]imino}methyl)-4-[(4-methylphenyl)diazenyl]phenol","","- C27 H26 N6 O3 -","- C27 H26 N6 O3 -","- C216 H208 N48 O24 -","8","2","ZO3074","Murillo, Maria Isabel; Cuenú-Ibargüen, Yahaira; Le Lagadec, Ronan; Cuenú-Cabezas, Fernando; Gómez Castaño, Jovanny Arles","Conformation and supramolecular assembly in an azo–azomethine–pyrazole hybrid: crystal structure, Hirshfeld surface and QTAIM analyses","Acta Crystallographica Section C Structural Chemistry","2026","82","10","","","10.1107/S2053229626008533","","","0.71073","MoKα","","0.1378","0.0629","","","0.1102","0.1458","","","","","","1.015","","","","has coordinates,has Fobs","306865","2026-09-04","21:11:37",""
"2312938","12.4386","0.0011","12.4386","0.0011","12.4386","0.0011","90","","90","","90","","1924.5","0.3","296","","296","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","Dicalcium sodium dimagnesium trivanadate","","- Ca2 Mg2 Na O12 V3 -","- Ca2.0001 Mg2 Na0.9999 O12 V3 -","- Ca16.0008 Mg16 Na7.9992 O96 V24 -","8","0.0833333","DG3084","Nakatsuka, Akihiko; Miyake, Yuya; Shimokawa, Mami; Iishi, Kazuake; Tokuda, Makoto; Yoshiasa, Akira","Peculiarity of atomic displacements in garnets discovered through a single-crystal X-ray diffraction study of the Na-bearing vanadate garnet series.","Acta crystallographica. Section C, Structural chemistry","2026","82","9","576","587","10.1107/S2053229626007217","","","0.71069","MoKα","","","0.0143","","","","0.0134","","","","","","1.2991","","","","has coordinates,has Fobs","306757","2026-08-29","13:11:16",""
"2312939","12.5679","0.0008","12.5679","0.0008","12.5679","0.0008","90","","90","","90","","1985.1","0.2","296","","296","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","Dicalcium sodium dimanganese trivanadate","","- Ca2 Mn2 Na O12 V3 -","- Ca2.0001 Mn2 Na0.9999 O12 V3 -","- Ca16.0008 Mn16 Na7.9992 O96 V24 -","8","0.0833333","DG3084","Nakatsuka, Akihiko; Miyake, Yuya; Shimokawa, Mami; Iishi, Kazuake; Tokuda, Makoto; Yoshiasa, Akira","Peculiarity of atomic displacements in garnets discovered through a single-crystal X-ray diffraction study of the Na-bearing vanadate garnet series.","Acta crystallographica. Section C, Structural chemistry","2026","82","9","576","587","10.1107/S2053229626007217","","","0.71069","MoKα","","","0.0155","","","","0.0151","","","","","","1.2149","","","","has coordinates,has Fobs","306757","2026-08-29","13:11:16",""
"2312940","12.4419","0.0003","12.4419","0.0003","12.4419","0.0003","90","","90","","90","","1926.02","0.08","296","","296","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","Dicalcium sodium dicobalt trivanadate","","- Ca2 Co2 Na O12 V3 -","- Ca2.0001 Co2 Na0.9999 O12 V3 -","- Ca16.0008 Co16 Na7.9992 O96 V24 -","8","0.0833333","DG3084","Nakatsuka, Akihiko; Miyake, Yuya; Shimokawa, Mami; Iishi, Kazuake; Tokuda, Makoto; Yoshiasa, Akira","Peculiarity of atomic displacements in garnets discovered through a single-crystal X-ray diffraction study of the Na-bearing vanadate garnet series.","Acta crystallographica. Section C, Structural chemistry","2026","82","9","576","587","10.1107/S2053229626007217","","","0.71069","MoKα","","","0.0108","","","","0.0088","","","","","","1.2931","","","","has coordinates,has Fobs","306757","2026-08-29","13:11:16",""
"2312941","12.3785","0.0003","12.3785","0.0003","12.3785","0.0003","90","","90","","90","","1896.72","0.08","296","","296","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","Dicalcium sodium dinickel trivanadate","","- Ca2 Na Ni2 O12 V3 -","- Ca2.0001 Na0.9999 Ni2 O12 V3 -","- Ca16.0008 Na7.9992 Ni16 O96 V24 -","8","0.0833333","DG3084","Nakatsuka, Akihiko; Miyake, Yuya; Shimokawa, Mami; Iishi, Kazuake; Tokuda, Makoto; Yoshiasa, Akira","Peculiarity of atomic displacements in garnets discovered through a single-crystal X-ray diffraction study of the Na-bearing vanadate garnet series.","Acta crystallographica. Section C, Structural chemistry","2026","82","9","576","587","10.1107/S2053229626007217","","","0.71069","MoKα","","","0.0135","","","","0.0129","","","","","","1.2496","","","","has coordinates,has Fobs","306757","2026-08-29","13:11:16",""
"2312942","12.4636","0.0008","12.4636","0.0008","12.4636","0.0008","90","","90","","90","","1936.1","0.2","296","","296","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","Dicalcium sodium dizinc trivanadate","","- Ca2 Na O12 V3 Zn2 -","- Ca2.0001 Na0.9999 O12 V3 Zn2 -","- Ca16.0008 Na7.9992 O96 V24 Zn16 -","8","0.0833333","DG3084","Nakatsuka, Akihiko; Miyake, Yuya; Shimokawa, Mami; Iishi, Kazuake; Tokuda, Makoto; Yoshiasa, Akira","Peculiarity of atomic displacements in garnets discovered through a single-crystal X-ray diffraction study of the Na-bearing vanadate garnet series.","Acta crystallographica. Section C, Structural chemistry","2026","82","9","576","587","10.1107/S2053229626007217","","","0.71069","MoKα","","","0.0199","","","","0.0157","","","","","","1.2118","","","","has coordinates,has Fobs","306757","2026-08-29","13:11:16",""
"2312943","12.7576","0.0001","12.7576","0.0001","12.7576","0.0001","90","","90","","90","","2076.38","0.03","293","2","293","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","Dicalcium sodium dicadmium trivanadate","","- Ca2 Cd2 Na O12 V3 -","- Ca2.0001 Cd2 Na0.9999 O12 V3 -","- Ca16.0008 Cd16 Na7.9992 O96 V24 -","8","0.0833333","DG3084","Nakatsuka, Akihiko; Miyake, Yuya; Shimokawa, Mami; Iishi, Kazuake; Tokuda, Makoto; Yoshiasa, Akira","Peculiarity of atomic displacements in garnets discovered through a single-crystal X-ray diffraction study of the Na-bearing vanadate garnet series.","Acta crystallographica. Section C, Structural chemistry","2026","82","9","576","587","10.1107/S2053229626007217","","","0.71073","MoKα","","","0.0138","","","","0.0182","","","","","","1.1486","","","","has coordinates,has Fobs","306757","2026-08-29","13:11:16",""
"2312944","12.7404","0.0008","12.7404","0.0008","12.7404","0.0008","90","","90","","90","","2068","0.2","296","","296","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","Dilead sodium dimagnesium trivanadate","","- Mg2 Na O12 Pb2 V3 -","- Mg2 Na0.9999 O12 Pb2.0001 V3 -","- Mg16 Na7.9992 O96 Pb16.0008 V24 -","8","0.0833333","DG3084","Nakatsuka, Akihiko; Miyake, Yuya; Shimokawa, Mami; Iishi, Kazuake; Tokuda, Makoto; Yoshiasa, Akira","Peculiarity of atomic displacements in garnets discovered through a single-crystal X-ray diffraction study of the Na-bearing vanadate garnet series.","Acta crystallographica. Section C, Structural chemistry","2026","82","9","576","587","10.1107/S2053229626007217","","","0.71069","MoKα","","","0.0182","","","","0.0149","","","","","","1.1546","","","","has coordinates,has Fobs","306757","2026-08-29","13:11:16",""
"2312945","12.7215","0.0007","12.7215","0.0007","12.7215","0.0007","90","","90","","90","","2058.8","0.2","296","","296","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","Dilead sodium dicobalt trivanadate","","- Co2 Na O12 Pb2 V3 -","- Co2 Na0.9999 O12 Pb2.0001 V3 -","- Co16 Na7.9992 O96 Pb16.0008 V24 -","8","0.0833333","DG3084","Nakatsuka, Akihiko; Miyake, Yuya; Shimokawa, Mami; Iishi, Kazuake; Tokuda, Makoto; Yoshiasa, Akira","Peculiarity of atomic displacements in garnets discovered through a single-crystal X-ray diffraction study of the Na-bearing vanadate garnet series.","Acta crystallographica. Section C, Structural chemistry","2026","82","9","576","587","10.1107/S2053229626007217","","","0.71069","MoKα","","","0.0206","","","","0.0171","","","","","","1.2374","","","","has coordinates,has Fobs","306757","2026-08-29","13:11:16",""
"2312946","12.6682","0.0006","12.6682","0.0006","12.6682","0.0006","90","","90","","90","","2033.03","0.17","296","","296","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","Dilead sodium dinickel trivanadate","","- Na Ni2 O12 Pb2 V3 -","- Na0.9999 Ni2 O12 Pb2.0001 V3 -","- Na7.9992 Ni16 O96 Pb16.0008 V24 -","8","0.0833333","DG3084","Nakatsuka, Akihiko; Miyake, Yuya; Shimokawa, Mami; Iishi, Kazuake; Tokuda, Makoto; Yoshiasa, Akira","Peculiarity of atomic displacements in garnets discovered through a single-crystal X-ray diffraction study of the Na-bearing vanadate garnet series.","Acta crystallographica. Section C, Structural chemistry","2026","82","9","576","587","10.1107/S2053229626007217","","","0.71069","MoKα","","","0.0104","","","","0.0073","","","","","","1.2996","","","","has coordinates,has Fobs","306757","2026-08-29","13:11:16",""
"2312947","15.9491","0.0011","11.5929","0.0008","5.1241","0.0003","90","","108.644","0.002","90","","897.71","0.1","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Al8.78 Ba2.12 In2.22 O20 Pb0.89 -","- Al8.782 Ba2.114 In2.218 O20 Pb0.886 -","- Al17.564 Ba4.228 In4.436 O40 Pb1.772 -","2","0.25","JX3111","Watts, Spencer R.; Ante, David A.; Baranets, Sviatoslav","When the crucible contributes: serendipitous formation, flux reactivity, and crystal and electronic structures of two aluminium-bearing mixed-metal oxides, Ba<sub>2.1</sub>Pb<sub>0.9</sub>Al<sub>8.8</sub>In<sub>2.2</sub>O<sub>20</sub> and BaAl<sub>1.6</sub>Ga<sub>0.4</sub>O<sub>4</sub>.","Acta crystallographica. Section C, Structural chemistry","2026","82","9","494","505","10.1107/S2053229626008144","","","0.71073","MoKα","","0.0209","0.0187","","","0.0364","0.0368","","","","","","1.116","","","","has coordinates","306758","2026-08-29","13:11:50",""
"2312948","9.0981","0.0003","9.0981","0.0003","8.7909","0.0004","90","","90","","120","","630.18","0.04","300","2","300","2","","","","","","","","4","P 63","P 6c","173","","","","- Al1.57 Ba Ga0.43 O4 -","- Al1.572 Ba Ga0.428 O3.9999 -","- Al9.432 Ba6 Ga2.568 O23.9994 -","6","1","JX3111","Watts, Spencer R.; Ante, David A.; Baranets, Sviatoslav","When the crucible contributes: serendipitous formation, flux reactivity, and crystal and electronic structures of two aluminium-bearing mixed-metal oxides, Ba<sub>2.1</sub>Pb<sub>0.9</sub>Al<sub>8.8</sub>In<sub>2.2</sub>O<sub>20</sub> and BaAl<sub>1.6</sub>Ga<sub>0.4</sub>O<sub>4</sub>.","Acta crystallographica. Section C, Structural chemistry","2026","82","9","494","505","10.1107/S2053229626008144","","","0.56086","AgKα","","0.0441","0.0269","","","0.0617","0.0671","","","","","","1.077","","","","has coordinates","306758","2026-08-29","13:11:50",""
"2312949","22.5326","0.0003","4.393","0.0001","27.299","0.0004","90","","104.422","0.001","90","","2617.06","0.08","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Trithiocyanuric acid–dimetridazole (1/1)","1,3,5-Triazine-2,4,6-trithiol; 1,2-dimethyl-5-nitro-1H-imidazole","","- C8 H10 N6 O2 S3 -","- C8 H10 N6 O2 S3 -","- C64 H80 N48 O16 S24 -","8","1","VP3056","Hushcha, Valeryia; Rybarczyk-Pirek, Agnieszka J; Chęcińska, Lilianna","Multicomponent crystals of nitroimidazole drugs with trithiocyanuric acid: two competing drug-coformer supramolecular motifs.","Acta crystallographica. Section C, Structural chemistry","2026","82","9","562","575","10.1107/S2053229626008156","","x-ray","1.54184","CuKα","","0.025","0.0241","","","0.0664","0.067","","","","","","1.089","","","","has coordinates,has Fobs","306759","2026-08-29","13:12:15",""
"2312950","28.9189","0.0011","5.4105","0.0002","29.6134","0.0011","90","","118.813","0.005","90","","4059.8","0.3","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Trithiocyanuric acid–tinidazole–methanol (1/1/1)","1,3,5-Triazine-2,4,6-trithiol; 1-[2-(ethanesulfonyl)ethyl]-2-methyl-5-nitro-1H-imidazole; methanol","","- C12 H20 N6 O5 S4 -","- C12 H20 N6 O5 S4 -","- C96 H160 N48 O40 S32 -","8","1","VP3056","Hushcha, Valeryia; Rybarczyk-Pirek, Agnieszka J; Chęcińska, Lilianna","Multicomponent crystals of nitroimidazole drugs with trithiocyanuric acid: two competing drug-coformer supramolecular motifs.","Acta crystallographica. Section C, Structural chemistry","2026","82","9","562","575","10.1107/S2053229626008156","","x-ray","1.54184","CuKα","","0.0591","0.0414","","","0.1104","0.1253","","","","","","1.095","","","","has coordinates,has Fobs","306759","2026-08-29","13:12:15",""
"2312951","19.941","0.0002","12.6814","0.0001","7.5115","0.0001","90","","92.695","0.001","90","","1897.41","0.04","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Trithiocyanuric acid–ornidazole–methanol (1/1/1)","1,3,5-Triazine-2,4,6-trithiol; 1-chloro-3-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol; methanol","","- C11 H17 Cl N6 O4 S3 -","- C11 H17 Cl N6 O4 S3 -","- C44 H68 Cl4 N24 O16 S12 -","4","1","VP3056","Hushcha, Valeryia; Rybarczyk-Pirek, Agnieszka J; Chęcińska, Lilianna","Multicomponent crystals of nitroimidazole drugs with trithiocyanuric acid: two competing drug-coformer supramolecular motifs.","Acta crystallographica. Section C, Structural chemistry","2026","82","9","562","575","10.1107/S2053229626008156","","x-ray","1.54184","CuKα","","0.0323","0.0297","","","0.0816","0.0832","","","","","","1.062","","","","has coordinates,has Fobs","306759","2026-08-29","13:12:15",""
"2312952","19.4666","0.0008","12.8041","0.0005","7.3929","0.0003","90","","94.247","0.004","90","","1837.64","0.13","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Trithiocyanuric acid–ornidazole–water (1/1/1)","1,3,5-Triazine-2,4,6-trithiol; 1-chloro-3-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol; monohydrate","","- C10 H15 Cl N6 O4 S3 -","- C10 H15 Cl N6 O4 S3 -","- C40 H60 Cl4 N24 O16 S12 -","4","1","VP3056","Hushcha, Valeryia; Rybarczyk-Pirek, Agnieszka J; Chęcińska, Lilianna","Multicomponent crystals of nitroimidazole drugs with trithiocyanuric acid: two competing drug-coformer supramolecular motifs.","Acta crystallographica. Section C, Structural chemistry","2026","82","9","562","575","10.1107/S2053229626008156","","x-ray","1.54184","CuKα","","0.0515","0.0446","","","0.1258","0.1309","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","306759","2026-08-29","13:12:15",""
"2312953","9.0514","0.0001","13.2185","0.0003","12.8307","0.0003","90","","104.556","0.002","90","","1485.87","0.05","102","2","102","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Trithiocyanuric acid–ronidazole (1/1)","1,3,5-Triazine-2,4,6-trithiol; (1-methyl-5-nitro-1H-imidazol-2-yl)methyl carbamate","","- C9 H11 N7 O4 S3 -","- C9 H11 N7 O4 S3 -","- C36 H44 N28 O16 S12 -","4","1","VP3056","Hushcha, Valeryia; Rybarczyk-Pirek, Agnieszka J; Chęcińska, Lilianna","Multicomponent crystals of nitroimidazole drugs with trithiocyanuric acid: two competing drug-coformer supramolecular motifs.","Acta crystallographica. Section C, Structural chemistry","2026","82","9","562","575","10.1107/S2053229626008156","","x-ray","1.54184","CuKα","","0.0263","0.0258","","","0.0695","0.0699","","","","","","1.045","","","","has coordinates,has Fobs","306759","2026-08-29","13:12:15",""
"2312954","7.5175","0.0002","14.549","0.0005","15.5155","0.0003","104.935","0.002","102.072","0.002","103.267","0.003","1529.56","0.08","102","2","102","2","","","","","","","","5","P -1","-P 1","2","Trithiocyanuric acid–ronidazole (1/1)","1,3,5-Triazine-2,4,6-trithiol; (1-methyl-5-nitro-1H-imidazol-2-yl)methyl carbamate","","- C9 H11 N7 O4 S3 -","- C9 H11 N7 O4 S3 -","- C36 H44 N28 O16 S12 -","4","2","VP3056","Hushcha, Valeryia; Rybarczyk-Pirek, Agnieszka J; Chęcińska, Lilianna","Multicomponent crystals of nitroimidazole drugs with trithiocyanuric acid: two competing drug-coformer supramolecular motifs.","Acta crystallographica. Section C, Structural chemistry","2026","82","9","562","575","10.1107/S2053229626008156","","x-ray","1.54184","CuKα","","0.0511","0.0452","","","0.1196","0.1238","","","","","","1.038","","","","has coordinates,has Fobs","306759","2026-08-29","13:12:15",""
"2312955","6.7368","0.0004","10.9816","0.0006","17.3105","0.0008","90","","90","","90","","1280.65","0.12","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,4,6-Triaminopyrimidin-1-ium anthranilate monohydrate","2,4,6-Triaminopyrimidin-1-ium 2-aminobenzoate monohydrate","","- C11 H16 N6 O3 -","- C11 H16 N6 O3 -","- C44 H64 N24 O12 -","4","1","EF3075","Mohana, Marimuthu; Sangavi, Marimuthu; Butcher, Ray J.","Crystal structures and supramolecular and Hirshfeld surface analysis of three novel 2,4,6-triaminopyrimidine salts.","Acta crystallographica. Section C, Structural chemistry","2026","82","9","513","523","10.1107/S2053229626007655","","","0.71073","MoKα","","0.0695","0.0525","","","0.1148","0.1232","","","","","","1.042","","","","has coordinates,has Fobs","306760","2026-08-29","13:12:41",""
"2312956","10.1965","0.0007","12.9814","0.0009","10.5609","0.0008","90","","97.41","0.002","90","","1386.22","0.17","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,4,6-Triaminopyrimidin-1-ium 5-aminoisophthalate monohydrate","2,4,6-Triaminopyrimidin-1-ium 5-aminobenzene-1,3-dicarboxylate monohydrate","","- C12 H16 N6 O5 -","- C12 H16 N6 O5 -","- C48 H64 N24 O20 -","4","1","EF3075","Mohana, Marimuthu; Sangavi, Marimuthu; Butcher, Ray J.","Crystal structures and supramolecular and Hirshfeld surface analysis of three novel 2,4,6-triaminopyrimidine salts.","Acta crystallographica. Section C, Structural chemistry","2026","82","9","513","523","10.1107/S2053229626007655","","","1.54178","CuKα","","0.0326","0.0317","","","0.0876","0.0888","","","","","","1.069","","","","has coordinates,has Fobs","306760","2026-08-29","13:12:41",""
"2312957","8.0784","0.0003","26.3435","0.001","10.9863","0.0004","90","","111.025","0.001","90","","2182.37","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Bis(2,4,6-triaminopyrimidin-1-ium) 4-aminophthalate trihydrate","Bis(2,4,6-triaminopyrimidin-1-ium) 4-aminobenzene-1,2-dicarboxylate trihydrate","","- C16 H27 N11 O7 -","- C16 H27 N11 O7 -","- C64 H108 N44 O28 -","4","1","EF3075","Mohana, Marimuthu; Sangavi, Marimuthu; Butcher, Ray J.","Crystal structures and supramolecular and Hirshfeld surface analysis of three novel 2,4,6-triaminopyrimidine salts.","Acta crystallographica. Section C, Structural chemistry","2026","82","9","513","523","10.1107/S2053229626007655","","","1.54178","CuKα","","0.0292","0.0291","","","0.0717","0.0718","","","","","","1.083","","","","has coordinates,has Fobs","306760","2026-08-29","13:12:41",""
"2312958","9.587","0.0001","10.2275","0.0001","15.3339","0.0002","91.118","0.001","107.352","0.001","115.935","0.001","1270.71","0.03","293","2","293","2","","","","","","","","4","P 1","P 1","1","","2-[2-(4-Nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]-3-phenylpropanoic acid monohydrate","","- C30 H25 N3 O5 -","- C30 H25 N3 O5 -","- C60 H50 N6 O10 -","2","2","VP3053","Ferrer, Armando; Mederos, Yonatan; Luis, Santiago V.; Esteve, Ferran; Altava, Belen; García, América; Cunha, Silvio","Water-bridged tetrameric supramolecular synthons in a novel tetrasubstituted imidazole-phenylalanine derivative synthesized via a Debus-Radziszewski reaction.","Acta crystallographica. Section C, Structural chemistry","2026","82","9","588","594","10.1107/S2053229626007321","","","0.71073","MoKα","","0.0324","0.0323","","","0.0891","0.0893","","","","","","1.053","","","","has coordinates,has Fobs","306761","2026-08-29","13:12:56",""
"2312959","7.058","0.0004","11.3709","0.0004","13.3008","0.0006","90","","90.434","0.004","90","","1067.44","0.09","295.2","","295.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[[μ~2~-2,5-bis(1<i>H</i>-imidazol-1-yl)pyridine][μ~2~-(<i>R</i>)-3-(1-carboxylatoethoxy)benzoato]cadmium(II)] monohydrate]","","- C21 H19 Cd N5 O6 -","- C21 H19 Cd N5 O6 -","- C42 H38 Cd2 N10 O12 -","2","1","QF3075","Chen, Qian Qian; Chen, Chun Gang; Xu, Jia Hang; Luo, Xiao Mei; Luo, Jia Hui; Lin, Yan; Xu, Zhong Xuan","Tuning helical chirality and physical properties in chiral lactate-based coordination polymers by varying metal centres and auxiliary ligands.","Acta crystallographica. Section C, Structural chemistry","2026","82","9","553","561","10.1107/S2053229626007801","","","0.71073","MoKα","","0.0445","0.038","","","0.0944","0.0966","","","","","","1.08","","","","has coordinates,has Fobs","306762","2026-08-29","13:13:12",""
"2312960","8.1907","0.0005","11.6204","0.0007","12.4088","0.0008","90","","107.225","0.006","90","","1128.09","0.13","295.2","","295.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[μ~2~-2,5-bis(2-methyl-1<i>H</i>-imidazol-1-yl)pyridine][μ~2~-(<i>R</i>)-3-(1-carboxylatoethoxy)benzoato]cadmium(II)]","","- C23 H21 Co N5 O5 -","- C23 H21 Co N5 O5 -","- C46 H42 Co2 N10 O10 -","2","1","QF3075","Chen, Qian Qian; Chen, Chun Gang; Xu, Jia Hang; Luo, Xiao Mei; Luo, Jia Hui; Lin, Yan; Xu, Zhong Xuan","Tuning helical chirality and physical properties in chiral lactate-based coordination polymers by varying metal centres and auxiliary ligands.","Acta crystallographica. Section C, Structural chemistry","2026","82","9","553","561","10.1107/S2053229626007801","","x-ray","0.71073","MoKα","","0.0335","0.0289","","","0.0774","0.0798","","","","","","0.985","","","","has coordinates,has Fobs","306762","2026-08-29","13:13:12",""
"2312961","9.4556","0.0001","27.1981","0.0003","15.01","0.0002","90","","106.828","0.002","90","","3694.89","0.08","294.85","0.1","294.85","0.1","","","","","","","","4","I 1 a 1","I -2ya","9","","2,2,6,6-Tetramethyl-1-(λ'-oxidaneyl)piperidin-4-yl 4'-[(1,7'-dimethyl-2'-propyl-1<i>H</i>,3'<i>H</i>-[2,5'-bibenzo[<i>d</i>]imidazol]-3'-yl)methyl]-[1,1'-biphenyl]-2-carboxylate","","- C42 H46 N5 O3 -","- C42 H46 N5 O3 -","- C168 H184 N20 O12 -","4","1","OV3185","Friedrich, Simon; Kong, Yali; Musayev, Faik N.; Brown, Milton L.; Gupton, B. Frank","YK-4-250, a synthetic telmisartan-tempol conjugate: crystal structure of a stabilized free radical containing an angiotensin AT<sub>1</sub> receptor inhibitor.","Acta crystallographica. Section C, Structural chemistry","2026","82","9","547","552","10.1107/S2053229626007242","","x-ray","1.54184","CuKα","","0.0293","0.029","","","0.0818","0.0821","","","","","","1.064","","","","has coordinates","306763","2026-08-29","13:13:27",""
"2312962","4.3583","0.0001","4.3583","0.0001","8.9333","0.0005","90","","90","","90","","169.686","0.011","100","","100","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Europium tin arsenide","","- As Eu Sn -","- As Eu Sn -","- As2 Eu2 Sn2 -","2","0.125","YD3080","Pokhvata, Olha; Butler, Gionne Q.; Baranets, Sviatoslav","EuSnAs: the first arsenide adopting the NbCrN structure type.","Acta crystallographica. Section C, Structural chemistry","2026","82","9","506","512","10.1107/S2053229626008223","","","0.56086","AgKα","","0.0121","0.0109","","","0.0257","0.026","","","","","","1.182","","","","has coordinates,has Fobs","306764","2026-08-29","13:13:33",""
"2312963","15.92","0.003","9.322","0.003","17.466","0.005","90","","90","","90","","2592.1","1.2","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Psilocybin","3-[2-(Dimethylamino)ethyl]-1<i>H</i>-indol-4-yl dihydrogen phosphate","","- C12 H17 N2 O4 P -","- C12 H17 N2 O4 P -","- C96 H136 N16 O32 P8 -","8","1","VP3057","Emmett, Sonya K.; Cameron, Lee; Hestermann, Mark; Holland, Darren; Kessler, Simon; McFarlane, Luke; Chooi, Yit Heng; Moggach, Stephen A.","Single-crystal structure determination of psilocybin after dehydration.","Acta crystallographica. Section C, Structural chemistry","2026","82","9","542","546","10.1107/S2053229626007692","","x-ray","1.54184","CuKα","","0.1717","0.0817","","","0.2056","0.2801","","","","","","1.043","","","","has coordinates","306765","2026-08-29","13:13:41",""
"2312964","14.3405","0.0006","8.2707","0.0003","27.098","0.001","90","","90","","90","","3214","0.2","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Psilocybin trihydrate","3-[2-(Dimethylamino)ethyl]-1<i>H</i>-indol-4-yl dihydrogen phosphate trihydrate","","- C12 H23 N2 O7 P -","- C12 H23 N2 O7 P -","- C96 H184 N16 O56 P8 -","8","1","VP3057","Emmett, Sonya K.; Cameron, Lee; Hestermann, Mark; Holland, Darren; Kessler, Simon; McFarlane, Luke; Chooi, Yit Heng; Moggach, Stephen A.","Single-crystal structure determination of psilocybin after dehydration.","Acta crystallographica. Section C, Structural chemistry","2026","82","9","542","546","10.1107/S2053229626007692","","x-ray","1.54184","CuKα","","0.0788","0.0524","","","0.1089","0.12","","","","","","1.042","","","","has coordinates","306765","2026-08-29","13:13:41",""
"2312965","7.1311","0.0005","12.2914","0.0006","11.4054","0.0008","90","","94.888","0.002","90","","996.06","0.11","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Trichloridoselenium tetrachloridooxidomolybdate","","- Cl7 Mo O Se -","- Cl7 Mo O Se -","- Cl28 Mo4 O4 Se4 -","4","1","YD3081","Kandabadage, Thimira; Ibrahim, Sherouk M.; Baranets, Sviatoslav","Synthesis, structural characterization, and electronic structure of monoclinic α-[SeCl<sub>3</sub>][MoOCl<sub>4</sub>].","Acta crystallographica. Section C, Structural chemistry","2026","82","9","487","493","10.1107/S2053229626007771","","","0.56086","AgKα","","0.0357","0.029","","","0.0504","0.0522","","","","","","1.044","","","","has coordinates,has Fobs","306766","2026-08-29","13:13:58",""
"2312966","18.6661","0.0002","15.0343","0.0001","25.8596","0.0003","90","","96.16","0.001","90","","7215.12","0.12","100","0.1","100","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","hexakis(antipyrine)lead(II) triflate","Hexakis(1,5-dimethyl-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one-κ<i>O</i>)lead(II) bis(trifluoromethanesulfonate)","","- C68 H72 F6 N12 O12 Pb S2 -","- C68 H72 F6 N12 O12 Pb S2 -","- C272 H288 F24 N48 O48 Pb4 S8 -","4","0.5","UX3016","Łyczko, Krzysztof; Łyczko, Monika","Structures of hexakis(antipyrine)lead(II) complexes: the first example of the stereochemically active and inactive 6s<sup>2</sup> lone pair for one lead(II) complex.","Acta crystallographica. Section C, Structural chemistry","2026","82","9","524","533","10.1107/S2053229626007333","","","0.71073","MoKα","","0.0321","0.0211","","","0.0441","0.0483","","","","","","1.064","","","","has coordinates,has Fobs","306767","2026-08-29","13:14:12",""
"2312967","14.1315","0.0005","16.3644","0.0006","17.9493","0.0006","113.571","0.003","92.477","0.003","110.315","0.003","3486.9","0.3","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","hexakis(Antipyrine)lead(II) triflate","Hexakis(1,5-dimethyl-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one-κ<i>O</i>)lead(II) bis(trifluoromethanesulfonate)","","- C68 H72 F6 N12 O12 Pb S2 -","- C68 H72 F6 N12 O12 Pb S2 -","- C136 H144 F12 N24 O24 Pb2 S4 -","2","1","UX3016","Łyczko, Krzysztof; Łyczko, Monika","Structures of hexakis(antipyrine)lead(II) complexes: the first example of the stereochemically active and inactive 6s<sup>2</sup> lone pair for one lead(II) complex.","Acta crystallographica. Section C, Structural chemistry","2026","82","9","524","533","10.1107/S2053229626007333","","","0.71073","MoKα","","0.0305","0.0259","","","0.058","0.0601","","","","","","1.032","","","","has coordinates,has Fobs","306767","2026-08-29","13:14:12",""
"2312968","14.095","0.002","14.095","0.002","9.566","0.0019","90","","90","","120","","1645.9","0.5","100","0.1","100.15","","","","","","","","","6","P -3","-P 3","147","hexakis(antipyrine)lead(II) perchlorate","Hexakis(1,5-dimethyl-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one-κ<i>O</i>)lead(II) bis(perchlorate)","","- C66 H72 Cl2 N12 O14 Pb -","- C66 H72 Cl2 N12 O14 Pb -","- C66 H72 Cl2 N12 O14 Pb -","1","0.166667","UX3016","Łyczko, Krzysztof; Łyczko, Monika","Structures of hexakis(antipyrine)lead(II) complexes: the first example of the stereochemically active and inactive 6s<sup>2</sup> lone pair for one lead(II) complex.","Acta crystallographica. Section C, Structural chemistry","2026","82","9","524","533","10.1107/S2053229626007333","","","0.71073","MoKα","","0.0249","0.024","","","0.051","0.0514","","","","","","1.091","","","","has coordinates,has Fobs","306767","2026-08-29","13:14:12",""
"2312969","12.9077","0.0002","23.2712","0.0004","15.8408","0.0002","90","","93.112","0.001","90","","4751.21","0.13","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[(<i>tert</i>-butoxycarbonyl)methyltriphenylphosphonium] tetrachloridomanganate(II)","","- C48 H52 Cl4 Mn O4 P2 -","- C48 H52 Cl4 Mn O4 P2 -","- C192 H208 Cl16 Mn4 O16 P8 -","4","1","","Jiao, Chan; Liu, Qianqian; Dong, Tao","Synthesis, crystal structure and green luminescence of a novel manganese(II)-based hybrid: bis[(tert-butoxycarbonyl)methyltriphenylphosphonium] tetrachloridomanganate(II).","Acta crystallographica. Section C, Structural chemistry","2026","82","9","534","541","10.1107/S205322962600731X","","","1.54178","CuKα","","0.0399","0.0387","","","0.1024","0.1034","","","","","","1.047","","","","has coordinates,has Fobs","306768","2026-08-29","13:15:39",""
"2312970","8.174","0.0004","11.6326","0.0005","12.4009","0.0005","90","","107.296","0.004","90","","1125.82","0.09","295.2","","295.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[μ-(<i>R</i>)-3-(1-carboxylatoethoxy)benzoato-κ^2^<i>O</i>:<i>O</i>'][μ-1,4-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene-κ^2^<i>N</i>:<i>N</i>']zinc(II)]","","- C24 H22 N4 O5 Zn -","- C24 H22 N4 O5 Zn -","- C48 H44 N8 O10 Zn2 -","2","1","JX3106","Chen, Qian Qian; Qin, Hong Yuan; Yan, Juan; Liang, Xue Ling; Chen, Chun Gang; Xu, Zhong Xuan; Yin, Xiu Ju","From central chirality to helical chirality: two chiral coordination polymers based on a lactic acid derivative and their SHG responses.","Acta crystallographica. Section C, Structural chemistry","2026","82","Pt 7","358","367","10.1107/S2053229626005784","","x-ray","0.71073","MoKα","","0.0298","0.0264","","","0.0685","0.07","","","","","","1.028","","","","has coordinates,has Fobs","306772","2026-08-29","14:52:03",""
"2312971","8.8188","0.0005","14.5821","0.0006","10.0134","0.0005","90","","109.44","0.005","90","","1214.28","0.11","295.2","","295.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[μ-1,4-bis(1<i>H</i>-imidazol-1-yl)2,5-dimethylbenzene-κ^2^<i>N</i>:<i>N</i>'][μ-(<i>R</i>)-3-(1-carboxylatoethoxy)benzoato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']cadmium(II)]","","- C24 H22 Cd N4 O5 -","- C24 H22 Cd N4 O5 -","- C48 H44 Cd2 N8 O10 -","2","1","JX3106","Chen, Qian Qian; Qin, Hong Yuan; Yan, Juan; Liang, Xue Ling; Chen, Chun Gang; Xu, Zhong Xuan; Yin, Xiu Ju","From central chirality to helical chirality: two chiral coordination polymers based on a lactic acid derivative and their SHG responses.","Acta crystallographica. Section C, Structural chemistry","2026","82","Pt 7","358","367","10.1107/S2053229626005784","","x-ray","0.71073","MoKα","","0.0343","0.0271","","","0.059","0.061","","","","","","0.99","","","","has coordinates,has Fobs","306772","2026-08-29","14:52:03",""
"2312972","3.608","0.008","9.832","0.004","16.467","0.011","90","","95.89","0.14","90","","581.1","1.4","92","","92","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Guanine anhydrous alpha","Guanine anhydrous","","- C5 H5 N5 O -","- C5 H5 N5 O -","- C20 H20 N20 O4 -","4","1","YD3070","Nakazawa, Minato; Hayashi, Seishu; Tanaka, Keita; Iwasaki, Kenji; Goda, Makoto; Yamada, Yusuke; Adachi, Naruhiko","Semi-automated MicroED system unveils multiple polymorphs in fish-derived guanine crystals.","Acta crystallographica. Section C, Structural chemistry","2026","82","Pt 7","310","323","10.1107/S2053229626006236","","","0.02508","electrons200keV","","0.1585","0.0643","","","0.1482","0.1625","","","","","","0.793","","","","has coordinates","306773","2026-08-29","14:52:43",""
"2312973","3.626","0.002","18.567","0.004","8.84","0.003","90","","96.68","0.05","90","","591.1","0.4","92","","92","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Guanine anhydrous beta","Guanine anhydrous","","- C5 H5 N5 O -","- C5 H5 N5 O -","- C20 H20 N20 O4 -","4","1","YD3070","Nakazawa, Minato; Hayashi, Seishu; Tanaka, Keita; Iwasaki, Kenji; Goda, Makoto; Yamada, Yusuke; Adachi, Naruhiko","Semi-automated MicroED system unveils multiple polymorphs in fish-derived guanine crystals.","Acta crystallographica. Section C, Structural chemistry","2026","82","Pt 7","310","323","10.1107/S2053229626006236","","","0.02508","electrons200keV","","0.1371","0.0778","","","0.211","0.2251","","","","","","0.947","","","","has coordinates","306773","2026-08-29","14:52:43",""
"2312974","3.5953","0.0007","9.802","0.0007","16.5701","0.0015","90","","95.818","0.013","90","","580.94","0.13","92","","92","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Guanine anhydrous alpha","Guanine anhydrous","","- C5 H5 N5 O -","- C5 H5 N5 O -","- C20 H20 N20 O4 -","4","1","YD3070","Nakazawa, Minato; Hayashi, Seishu; Tanaka, Keita; Iwasaki, Kenji; Goda, Makoto; Yamada, Yusuke; Adachi, Naruhiko","Semi-automated MicroED system unveils multiple polymorphs in fish-derived guanine crystals.","Acta crystallographica. Section C, Structural chemistry","2026","82","Pt 7","310","323","10.1107/S2053229626006236","","","0.02508","electrons200keV","","0.131","0.0963","","","0.2934","0.3028","","","","","","1.192","","","","has coordinates","306773","2026-08-29","14:52:43",""
"2312975","3.6008","0.0009","18.5647","0.0018","8.7835","0.0009","90","","97.147","0.017","90","","582.6","0.17","92","","92","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Guanine anhydrous beta","Guanine anhydrous","","- C5 H5 N5 O -","- C5 H5 N5 O -","- C20 H20 N20 O4 -","4","1","YD3070","Nakazawa, Minato; Hayashi, Seishu; Tanaka, Keita; Iwasaki, Kenji; Goda, Makoto; Yamada, Yusuke; Adachi, Naruhiko","Semi-automated MicroED system unveils multiple polymorphs in fish-derived guanine crystals.","Acta crystallographica. Section C, Structural chemistry","2026","82","Pt 7","310","323","10.1107/S2053229626006236","","","0.02508","electrons200keV","","0.1248","0.0946","","","0.309","0.3198","","","","","","1.119","","","","has coordinates","306773","2026-08-29","14:52:43",""
"2312976","3.5993","0.0006","9.837","0.0006","16.5211","0.0013","90","","95.656","0.011","90","","582.1","0.11","92","","92","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Guanine anhydrous alpha","Guanine anhydrous","","- C5 H5 N5 O -","- C5 H5 N5 O -","- C20 H20 N20 O4 -","4","1","YD3070","Nakazawa, Minato; Hayashi, Seishu; Tanaka, Keita; Iwasaki, Kenji; Goda, Makoto; Yamada, Yusuke; Adachi, Naruhiko","Semi-automated MicroED system unveils multiple polymorphs in fish-derived guanine crystals.","Acta crystallographica. Section C, Structural chemistry","2026","82","Pt 7","310","323","10.1107/S2053229626006236","","","0.02508","electrons200keV","","0.1279","0.1107","","","0.3214","0.3274","","","","","","1.167","","","","has coordinates","306773","2026-08-29","14:52:43",""
"2312977","3.6089","0.0015","18.531","0.003","8.8074","0.0017","90","","96.98","0.03","90","","584.6","0.3","92","","92","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Guanine anhydrous beta","Guanine anhydrous","","- C5 H5 N5 O -","- C5 H5 N5 O -","- C20 H20 N20 O4 -","4","1","YD3070","Nakazawa, Minato; Hayashi, Seishu; Tanaka, Keita; Iwasaki, Kenji; Goda, Makoto; Yamada, Yusuke; Adachi, Naruhiko","Semi-automated MicroED system unveils multiple polymorphs in fish-derived guanine crystals.","Acta crystallographica. Section C, Structural chemistry","2026","82","Pt 7","310","323","10.1107/S2053229626006236","","","0.02508","electrons200keV","","0.126","0.0944","","","0.3037","0.3159","","","","","","1.06","","","","has coordinates","306773","2026-08-29","14:52:43",""
"2312978","3.6227","0.0005","11.3187","0.0014","16.651","0.004","90","","96.087","0.017","90","","678.9","0.2","92","","92","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Guanine monohydrate","","- C5 H5 N5 O2 -","- C5 H5 N5 O2 -","- C20 H20 N20 O8 -","4","1","YD3070","Nakazawa, Minato; Hayashi, Seishu; Tanaka, Keita; Iwasaki, Kenji; Goda, Makoto; Yamada, Yusuke; Adachi, Naruhiko","Semi-automated MicroED system unveils multiple polymorphs in fish-derived guanine crystals.","Acta crystallographica. Section C, Structural chemistry","2026","82","Pt 7","310","323","10.1107/S2053229626006236","","","0.02508","electrons200keV","","0.1944","0.16","","","0.4116","0.4276","","","","","","1.164","","","","has coordinates","306773","2026-08-29","14:52:43",""
"2312979","3.6114","0.0008","9.8783","0.0013","16.654","0.003","90","","95.69","0.02","90","","591.2","0.19","92","","92","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Guanine anhydrous alpha","Guanine anhydrous","","- C5 H5 N5 O -","- C5 H5 N5 O -","- C20 H20 N20 O4 -","4","1","YD3070","Nakazawa, Minato; Hayashi, Seishu; Tanaka, Keita; Iwasaki, Kenji; Goda, Makoto; Yamada, Yusuke; Adachi, Naruhiko","Semi-automated MicroED system unveils multiple polymorphs in fish-derived guanine crystals.","Acta crystallographica. Section C, Structural chemistry","2026","82","Pt 7","310","323","10.1107/S2053229626006236","","","0.02508","electrons200keV","","0.1564","0.1204","","","0.332","0.3444","","","","","","1.171","","","","has coordinates","306773","2026-08-29","14:52:43",""
"2312980","3.6369","0.001","18.674","0.004","8.829","0.002","90","","97.23","0.03","90","","594.9","0.3","92","","92","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Guanine anhydrous beta","Guanine anhydrous","","- C5 H5 N5 O -","- C5 H5 N5 O -","- C20 H20 N20 O4 -","4","1","YD3070","Nakazawa, Minato; Hayashi, Seishu; Tanaka, Keita; Iwasaki, Kenji; Goda, Makoto; Yamada, Yusuke; Adachi, Naruhiko","Semi-automated MicroED system unveils multiple polymorphs in fish-derived guanine crystals.","Acta crystallographica. Section C, Structural chemistry","2026","82","Pt 7","310","323","10.1107/S2053229626006236","","","0.02508","electrons200keV","","0.2013","0.1415","","","0.3816","0.4035","","","","","","1.06","","","","has coordinates","306773","2026-08-29","14:52:43",""
"2312981","11.8711","0.0003","6.854","0.0001","12.8841","0.0003","90","","103.658","0.002","90","","1018.67","0.04","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[diaqua-di-μ-selenato-μ-selenito-diytterbium]","","- H4 O12 Se3 Yb2 -","- H4 O12 Se3 Yb2 -","- H16 O48 Se12 Yb8 -","4","0.5","VX3022","Jones, Chloe; Ling, Jie","Synthesis and structural characterization of rare-earth selenates: Yb<sub>2</sub>(SeO<sub>3</sub>)(SeO<sub>4</sub>)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>, Yb(HSeO<sub>3</sub>)(SeO<sub>4</sub>), and Tm<sub>2</sub>(SeO<sub>4</sub>)<sub>3</sub>(H<sub>2</sub>O)<sub>4</sub>·H<sub>2</sub>O.","Acta crystallographica. Section C, Structural chemistry","2026","82","Pt 7","331","335","10.1107/S2053229626005449","","x-ray","0.71073","MoKα","","0.021","0.017","","","0.038","0.039","","","","","","1.081","","","","has coordinates,has Fobs","306774","2026-08-29","14:53:46",""
"2312982","8.4526","0.0003","10.6114","0.0003","6.8129","0.0002","90","","110.808","0.004","90","","571.22","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[μ-(hydrogen selenito)-μ-selenato-ytterbium]","","- H O7 Se2 Yb -","- H O7 Se2 Yb -","- H4 O28 Se8 Yb4 -","4","1","VX3022","Jones, Chloe; Ling, Jie","Synthesis and structural characterization of rare-earth selenates: Yb<sub>2</sub>(SeO<sub>3</sub>)(SeO<sub>4</sub>)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>, Yb(HSeO<sub>3</sub>)(SeO<sub>4</sub>), and Tm<sub>2</sub>(SeO<sub>4</sub>)<sub>3</sub>(H<sub>2</sub>O)<sub>4</sub>·H<sub>2</sub>O.","Acta crystallographica. Section C, Structural chemistry","2026","82","Pt 7","331","335","10.1107/S2053229626005449","","x-ray","0.71073","MoKα","","0.0249","0.0219","","","0.0497","0.0506","","","","","","1.07","","","","has coordinates,has Fobs","306774","2026-08-29","14:53:46",""
"2312983","9.389","0.0005","9.5595","0.0007","9.7042","0.0006","96.755","0.005","104.625","0.005","119.401","0.007","703.43","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Poly[[tetraaquatri-μ-selenato-dithulium] monohydrate]","","- H10 O17 Se3 Tm2 -","- H10 O17 Se3 Tm2 -","- H20 O34 Se6 Tm4 -","2","1","VX3022","Jones, Chloe; Ling, Jie","Synthesis and structural characterization of rare-earth selenates: Yb<sub>2</sub>(SeO<sub>3</sub>)(SeO<sub>4</sub>)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>, Yb(HSeO<sub>3</sub>)(SeO<sub>4</sub>), and Tm<sub>2</sub>(SeO<sub>4</sub>)<sub>3</sub>(H<sub>2</sub>O)<sub>4</sub>·H<sub>2</sub>O.","Acta crystallographica. Section C, Structural chemistry","2026","82","Pt 7","331","335","10.1107/S2053229626005449","","x-ray","0.71073","MoKα","","0.0377","0.0276","","","0.0543","0.0569","","","","","","0.9945","","","","has coordinates,has Fobs","306774","2026-08-29","14:53:46",""
"2312984","8.4395","0.0006","9.7773","0.0007","12.0987","0.0009","93.078","0.003","93.29","0.003","107.721","0.003","946.73","0.12","100","2","100","","","","","","","","","4","P -1","-P 1","2","[H~2~(2-bptz)]:2-bptz:2(I~3~):I~2~","2,2'-(1,2,4,5-Tetrazine-3,6-diyl)dipyridinium bis(triiodide)–3,6-bis(pyyridin-2-yl)-1,2,4,5-tetrazine–diiodine (1/1/1)","","- C24 H18 I8 N12 -","- C24 H18 I8 N12 -","- C24 H18 I8 N12 -","1","0.5","QF3073","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","Halogen and hydrogen bonding of 3,6-bis(pyridin-2-yl)-1,2,4,5-tetrazine and 3,6-bis(pyridin-4-yl)-1,2,4,5-tetrazine.","Acta crystallographica. Section C, Structural chemistry","2026","82","Pt 7","351","357","10.1107/S2053229626005814","","","0.71073","MoKα","","0.0226","0.0212","","","0.0452","0.0461","","","","","","1.0326","","","","has coordinates,has disorder,has Fobs","306775","2026-08-29","14:56:24",""
"2312985","13.6382","0.0005","10.5055","0.0004","14.2062","0.0005","90","","90","","90","","2035.41","0.13","100","2","100","","","","","","","","","4","P b c m","-P 2c 2b","57","[H(4-bptz)]:I~5~","4-[6-(Pyridin-4-yl)-1,2,4,5-tetrazin-3-yl]pyridinium pentaiodide","","- C12 H9 I5 N6 -","- C12 H9 I5 N6 -","- C48 H36 I20 N24 -","4","0.5","QF3073","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","Halogen and hydrogen bonding of 3,6-bis(pyridin-2-yl)-1,2,4,5-tetrazine and 3,6-bis(pyridin-4-yl)-1,2,4,5-tetrazine.","Acta crystallographica. Section C, Structural chemistry","2026","82","Pt 7","351","357","10.1107/S2053229626005814","","","0.71073","MoKα","","0.0339","0.0251","","","0.0531","0.061","","","","","","1.0467","","","","has coordinates,has Fobs","306775","2026-08-29","14:56:24",""
"2312986","5.3939","0.0004","6.0543","0.0004","14.3805","0.0011","88.96","0.002","80.628","0.002","84.926","0.003","461.53","0.06","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","2-bptz:<i>p</i>-F~4~DIB","3,6-Bis(pyyridin-2-yl)-1,2,4,5-tetrazine–1,4-diiodotetrafluorobenzene (1/1)","","- C18 H8 F4 I2 N6 -","- C18 H8 F4 I2 N6 -","- C18 H8 F4 I2 N6 -","1","0.5","QF3073","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","Halogen and hydrogen bonding of 3,6-bis(pyridin-2-yl)-1,2,4,5-tetrazine and 3,6-bis(pyridin-4-yl)-1,2,4,5-tetrazine.","Acta crystallographica. Section C, Structural chemistry","2026","82","Pt 7","351","357","10.1107/S2053229626005814","","","0.71073","MoKα","","0.0158","0.0156","","","0.037","0.0371","","","","","","1.0289","","","","has coordinates,has Fobs","306775","2026-08-29","14:56:24",""
"2312987","10.5889","0.0011","10.6763","0.0011","8.9523","0.0008","90","","110.474","0.003","90","","948.13","0.16","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-bptz:<i>p</i>-F~4~DIB","3,6-Bis(pyyridin-4-yl)-1,2,4,5-tetrazine–1,4-diiodotetrafluorobenzene (1/1)","","- C18 H8 F4 I2 N6 -","- C18 H8 F4 I2 N6 -","- C36 H16 F8 I4 N12 -","2","0.5","QF3073","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","Halogen and hydrogen bonding of 3,6-bis(pyridin-2-yl)-1,2,4,5-tetrazine and 3,6-bis(pyridin-4-yl)-1,2,4,5-tetrazine.","Acta crystallographica. Section C, Structural chemistry","2026","82","Pt 7","351","357","10.1107/S2053229626005814","","","0.71073","MoKα","","0.0136","0.0125","","","0.0316","0.0326","","","","","","1.0514","","","","has coordinates,has Fobs","306775","2026-08-29","14:56:24",""
"2312988","14.786","0.0011","7.3851","0.0006","15.1642","0.0012","90","","110.116","0.002","90","","1554.9","0.2","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-bptz:2(1,3,5-TFTIB)","3,6-Bis(pyyridin-2-yl)-1,2,4,5-tetrazine–1,3,5-trifluoro-2,4,6-triiodobenzene (1/2)","","- C12 H4 F3 I3 N3 -","- C12 H4 F3 I3 N3 -","- C48 H16 F12 I12 N12 -","4","1","QF3073","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","Halogen and hydrogen bonding of 3,6-bis(pyridin-2-yl)-1,2,4,5-tetrazine and 3,6-bis(pyridin-4-yl)-1,2,4,5-tetrazine.","Acta crystallographica. Section C, Structural chemistry","2026","82","Pt 7","351","357","10.1107/S2053229626005814","","","0.71073","MoKα","","0.0218","0.0202","","","0.041","0.0417","","","","","","1.0766","","","","has coordinates,has disorder,has Fobs","306775","2026-08-29","14:56:24",""
"2312989","7.1745","0.0006","11.6157","0.0009","15.9136","0.0013","89.204","0.004","80.302","0.004","83.079","0.004","1297.68","0.18","100","2","99.99","","","","","","","","","4","P -1","-P 1","2","3,6-Bis(pyyridin-2-yl)-1,2,4,5-tetrazine–hydroquinine (2/1)","3,6-Bis(pyyridin-2-yl)-1,2,4,5-tetrazine–benzene-1,4-diol (2/1)","","- C30 H22 N12 O2 -","- C30 H22 N12 O2 -","- C60 H44 N24 O4 -","2","1","QF3073","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","Halogen and hydrogen bonding of 3,6-bis(pyridin-2-yl)-1,2,4,5-tetrazine and 3,6-bis(pyridin-4-yl)-1,2,4,5-tetrazine.","Acta crystallographica. Section C, Structural chemistry","2026","82","Pt 7","351","357","10.1107/S2053229626005814","","","0.71073","MoKα","","0.0621","0.0546","","","0.1187","0.1217","","","","","","1.0696","","","","has coordinates,has Fobs","306775","2026-08-29","14:56:24",""
"2312990","6.836","0.01","6.973","0.01","8.556","0.012","92.51","0.05","94.87","0.06","107.29","0.1","387","1","100","2","100","","","","","","","","","4","P -1","-P 1","2","3,6-Bis(pyyridin-4-yl)-1,2,4,5-tetrazine–hydroquinine (1/1)","3,6-Bis(pyyridin-4-yl)-1,2,4,5-tetrazine–benzene-1,4-diol (1/1)","","- C18 H14 N6 O2 -","- C18 H14 N6 O2 -","- C18 H14 N6 O2 -","1","0.5","QF3073","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","Halogen and hydrogen bonding of 3,6-bis(pyridin-2-yl)-1,2,4,5-tetrazine and 3,6-bis(pyridin-4-yl)-1,2,4,5-tetrazine.","Acta crystallographica. Section C, Structural chemistry","2026","82","Pt 7","351","357","10.1107/S2053229626005814","","","0.71073","MoKα","","0.0359","0.0337","","","0.0929","0.095","","","","","","1.1332","","","","has coordinates,has Fobs","306775","2026-08-29","14:56:24",""
"2312991","18.1751","0.0006","10.2977","0.0004","13.4537","0.0004","90","","90","","90","","2518.02","0.15","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","Octabismuth(2+) bis(tetrabromidoaluminate)","","- Al2 Bi8 Br8 -","- Al2 Bi8 Br8 -","- Al8 Bi32 Br32 -","4","1","YD3072","Samarakoon, S M Gayomi K; Estrella, Chaila N.; Baranets, Sviatoslav","Homopolyatomic bismuth cluster compound Bi<sub>8</sub>[AlBr<sub>4</sub>]<sub>2</sub>: synthesis, structural characterization, and electronic structure.","Acta crystallographica. Section C, Structural chemistry","2026","82","Pt 7","324","330","10.1107/S2053229626006467","","","0.56086","AgKα","","0.0244","0.0227","","","0.0435","0.0442","","","","","","0.992","","","","has coordinates,has Fobs","306776","2026-08-29","14:56:41",""
"2312992","31.9167","0.0016","31.9167","0.0016","17.3494","0.0014","90","","90","","120","","15305.6","1.6","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","{4,4'-Di-<i>tert</i>-butyl-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato}nickel(II) toluene 1.33-solvate","","- C37.33 H40.67 N2 Ni O2 -","- C28 H30 N2 Ni O2 -","- C504 H540 N36 Ni18 O36 -","18","1","ZO3072","Seymour, Jr, Derik A; Amsbaugh, Ritter V.; Colcord, Charlotte G.; Fejes, Isabelle R.; Gebhardt, Lindsey C.; Yap, Glenn P. A.; Deegan, Meaghan M.","Structures of nickel-, copper-, and zinc-salophen derivatives.","Acta crystallographica. Section C, Structural chemistry","2026","82","Pt 7","336","350","10.1107/S2053229626005450","","","1.54178","CuKα","","0.0485","0.0447","","","0.1255","0.1289","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","306777","2026-08-29","14:57:25",""
"2312993","6.4952","0.0004","9.9895","0.0006","34.8262","0.0019","90","","93.734","0.002","90","","2254.9","0.2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","{4,4'-Di-<i>tert</i>-butyl-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato}copper(II)","","- C28 H30 Cu N2 O2 -","- C28 H30 Cu N2 O2 -","- C112 H120 Cu4 N8 O8 -","4","0.5","ZO3072","Seymour, Jr, Derik A; Amsbaugh, Ritter V.; Colcord, Charlotte G.; Fejes, Isabelle R.; Gebhardt, Lindsey C.; Yap, Glenn P. A.; Deegan, Meaghan M.","Structures of nickel-, copper-, and zinc-salophen derivatives.","Acta crystallographica. Section C, Structural chemistry","2026","82","Pt 7","336","350","10.1107/S2053229626005450","","","1.54178","CuKα","","0.1078","0.1012","","","0.252","0.254","","","","","","1.246","","","","has coordinates,has disorder,has Fobs","306777","2026-08-29","14:57:25",""
"2312994","19.2863","0.0007","16.7349","0.0006","9.0749","0.0003","90","","103.286","0.002","90","","2850.57","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua{4,4'-di-<i>tert</i>-butyl-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato}zinc(II) tetrahydrofuran monosolvate","","- C32 H40 N2 O4 Zn -","- C32 H40 N2 O4 Zn -","- C128 H160 N8 O16 Zn4 -","4","1","ZO3072","Seymour, Jr, Derik A; Amsbaugh, Ritter V.; Colcord, Charlotte G.; Fejes, Isabelle R.; Gebhardt, Lindsey C.; Yap, Glenn P. A.; Deegan, Meaghan M.","Structures of nickel-, copper-, and zinc-salophen derivatives.","Acta crystallographica. Section C, Structural chemistry","2026","82","Pt 7","336","350","10.1107/S2053229626005450","","","1.54178","CuKα","","0.0462","0.0351","","","0.1094","0.1175","","","","","","0.945","","","","has coordinates,has Fobs","306777","2026-08-29","14:57:25",""
"2312995","11.3746","0.0002","9.7541","0.0002","17.3604","0.0003","90","","97.5496","0.0011","90","","1909.42","0.06","270","","270","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{4,4'-Bis(trifluoromethyl)-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato}nickel(II)","","- C22 H12 F6 N2 Ni O2 -","- C22 H12 F6 N2 Ni O2 -","- C88 H48 F24 N8 Ni4 O8 -","4","1","ZO3072","Seymour, Jr, Derik A; Amsbaugh, Ritter V.; Colcord, Charlotte G.; Fejes, Isabelle R.; Gebhardt, Lindsey C.; Yap, Glenn P. A.; Deegan, Meaghan M.","Structures of nickel-, copper-, and zinc-salophen derivatives.","Acta crystallographica. Section C, Structural chemistry","2026","82","Pt 7","336","350","10.1107/S2053229626005450","","","1.54178","CuKα","","0.077","0.0487","","","0.121","0.1375","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","306777","2026-08-29","14:57:25",""
"2312996","12.5433","0.0005","5.6807","0.0003","33.6611","0.0014","90","","97.297","0.002","90","","2379.09","0.19","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{4,4'-Bis(trifluoromethyl)-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato}(pyridine)zinc(II)","","- C27 H17 F6 N3 O2 Zn -","- C27 H17 F6 N3 O2 Zn -","- C108 H68 F24 N12 O8 Zn4 -","4","1","ZO3072","Seymour, Jr, Derik A; Amsbaugh, Ritter V.; Colcord, Charlotte G.; Fejes, Isabelle R.; Gebhardt, Lindsey C.; Yap, Glenn P. A.; Deegan, Meaghan M.","Structures of nickel-, copper-, and zinc-salophen derivatives.","Acta crystallographica. Section C, Structural chemistry","2026","82","Pt 7","336","350","10.1107/S2053229626005450","","","1.54178","CuKα","","0.12","0.0976","","","0.2391","0.2589","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","306777","2026-08-29","14:57:25",""
"2312997","29.296","0.003","16.6348","0.0015","8.2834","0.0008","90","","104.247","0.004","90","","3912.6","0.7","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","{4,4'-Di-<i>tert</i>-butyl-6,6'-bis[(diisopropylamino)methyl]-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato}nickel(II)","","- C42 H60 N4 Ni O2 -","- C42 H60 N4 Ni O2 -","- C168 H240 N16 Ni4 O8 -","4","0.5","ZO3072","Seymour, Jr, Derik A; Amsbaugh, Ritter V.; Colcord, Charlotte G.; Fejes, Isabelle R.; Gebhardt, Lindsey C.; Yap, Glenn P. A.; Deegan, Meaghan M.","Structures of nickel-, copper-, and zinc-salophen derivatives.","Acta crystallographica. Section C, Structural chemistry","2026","82","Pt 7","336","350","10.1107/S2053229626005450","","","1.54178","CuKα","","0.0533","0.0501","","","0.1353","0.1381","","","","","","1.086","","","","has coordinates,has Fobs","306777","2026-08-29","14:57:25",""
"2312998","17.7093","0.0005","32.6589","0.001","8.7258","0.0003","90","","90","","90","","5046.7","0.3","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","{4,4'-Di-<i>tert</i>-butyl-6,6'-bis[(diphenylamino)methyl]-2,2'-[(pyridine-\ 3,4-diyl)bis(nitrilomethylidyne)]diphenolato}(pyridine)zinc(II) pyridine monosolvate","","- C63 H61 N7 O2 Zn -","- C58 H56 N6 O2 Zn -","- C232 H224 N24 O8 Zn4 -","4","0.5","ZO3072","Seymour, Jr, Derik A; Amsbaugh, Ritter V.; Colcord, Charlotte G.; Fejes, Isabelle R.; Gebhardt, Lindsey C.; Yap, Glenn P. A.; Deegan, Meaghan M.","Structures of nickel-, copper-, and zinc-salophen derivatives.","Acta crystallographica. Section C, Structural chemistry","2026","82","Pt 7","336","350","10.1107/S2053229626005450","","","1.54178","CuKα","","0.057","0.0472","","","0.1071","0.112","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","306777","2026-08-29","14:57:25",""
"2313070","17.8703","0.0006","26.93","0.001","19.2129","0.0007","90","","115.618","0.001","90","","8337.2","0.5","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(2,3;11,12-Dibenzo-1,4,7,10,13,16-hexaoxacyclooctadeca-2,11-diene-κ^6^<i>O</i>)(phenazine-κ<i>N</i>)potassium(I) (μ-phenazine-κ^2^<i>N</i>:<i>N</i>')bis{bis[bis(trimethylsilyl)amido]zinc(II)}","","- C68 H112 K N8 O6 Si8 Zn2 -","- C68 H112 K N8 O6 Si8 Zn2 -","- C272 H448 K4 N32 O24 Si32 Zn8 -","4","1","OP3040","Campbell, Jr, Albert D; Ekanayaka, Uthpala N.; Wagner, Clifton L.","Synthesis of a phenazine radical anion complex: structural and spectroscopic analysis of spin delocalization.","Acta crystallographica. Section C, Structural chemistry","2026","82","10","","","10.1107/S2053229626009137","","","1.54178","CuKα","","0.0338","0.0268","","","0.066","0.0671","","","","","","1.057","","","","has coordinates,has Fobs","306871","2026-09-09","21:08:32",""
"2313071","12.285","0.0004","6.01139","0.0001","17.6634","0.0011","90","","100.838","0.002","90","","1281.17","0.09","295","","295","","","","","","","","","4","C 1 2 1","C 2y","5","Mirogabalin","2-[(1<i>R</i>,5<i>S</i>,6<i>S</i>)-6-(Aminomethyl)-3-ethylbicyclo[3.2.0]hept-3-en-6-yl]acetic acid","","- C12 H19 N O2 -","- C12 H19 N O2 -","- C48 H76 N4 O8 -","4","1","VX3025","Salazar, Jacob K.; Kaduk, James A.; Dosen, Anja; Blanton, Thomas N.","Mirogabalin, C<sub>12</sub>H<sub>19</sub>NO<sub>2</sub>, and mirogabalin besylate, C<sub>12</sub>H<sub>20</sub>NO<sub>2</sub><sup>+</sup>·C<sub>6</sub>H<sub>5</sub>O<sub>3</sub>S<sup/>.","Acta crystallographica. Section C, Structural chemistry","2026","82","10","","","10.1107/S205322962600923X","powder diffraction","x-ray","0.46873","synchrotron","","","","","","0.16493","","","","3.641","","","","","","","has coordinates","306875","2026-09-11","21:09:12",""
"2313072","16.4631","0.0003","9.34335","0.00005","12.6601","0.00018","90","","102.275","0.0008","90","","1902.86","0.05","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","Mirogabalin besylate","[6-(Carboxymethyl)-3-ethylbicyclo[3.2.0]hept-2-en-6-yl]methanaminium benzenesulfonate","","- C36 H50 N2 O10 S2 -","- C36 H50 N2 O10 S2 -","- C72 H100 N4 O20 S4 -","2","1","VX3025","Salazar, Jacob K.; Kaduk, James A.; Dosen, Anja; Blanton, Thomas N.","Mirogabalin, C<sub>12</sub>H<sub>19</sub>NO<sub>2</sub>, and mirogabalin besylate, C<sub>12</sub>H<sub>20</sub>NO<sub>2</sub><sup>+</sup>·C<sub>6</sub>H<sub>5</sub>O<sub>3</sub>S<sup/>.","Acta crystallographica. Section C, Structural chemistry","2026","82","10","","","10.1107/S205322962600923X","powder diffraction","x-ray","0.46873","Synchrotron","","","","","","0.11708","","","","2.653","","","","","","","has coordinates","306875","2026-09-11","21:09:12",""
"2313073","12.285","","6.0114","","17.6633","","90","","100.84","","90","","1281.16","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","Mirogabalin","2-[(1<i>R</i>,5<i>S</i>,6<i>S</i>)-6-(Aminomethyl)-3-ethylbicyclo[3.2.0]hept-3-en-6-yl]acetic acid","","- C12 H19 N O2 -","- C12 H19 N O2 -","- C48 H76 N4 O8 -","4","1","VX3025","Salazar, Jacob K.; Kaduk, James A.; Dosen, Anja; Blanton, Thomas N.","Mirogabalin, C<sub>12</sub>H<sub>19</sub>NO<sub>2</sub>, and mirogabalin besylate, C<sub>12</sub>H<sub>20</sub>NO<sub>2</sub><sup>+</sup>·C<sub>6</sub>H<sub>5</sub>O<sub>3</sub>S<sup/>.","Acta crystallographica. Section C, Structural chemistry","2026","82","10","","","10.1107/S205322962600923X","","","","","","","","","","","","","","","","","","","","","has coordinates","306875","2026-09-11","21:09:12",""
"2313074","16.46309","","9.34335","","12.6601","","90","","102.27","","90","","1902.9","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","Mirogabalin besylate","[6-(Carboxymethyl)-3-ethylbicyclo[3.2.0]hept-2-en-6-yl]methanaminium benzenesulfonate","","- C18 H25 N O5 S -","- C18 H25 N O5 S -","- C72 H100 N4 O20 S4 -","4","2","VX3025","Salazar, Jacob K.; Kaduk, James A.; Dosen, Anja; Blanton, Thomas N.","Mirogabalin, C<sub>12</sub>H<sub>19</sub>NO<sub>2</sub>, and mirogabalin besylate, C<sub>12</sub>H<sub>20</sub>NO<sub>2</sub><sup>+</sup>·C<sub>6</sub>H<sub>5</sub>O<sub>3</sub>S<sup/>.","Acta crystallographica. Section C, Structural chemistry","2026","82","10","","","10.1107/S205322962600923X","","","","","","","","","","","","","","","","","","","","","has coordinates","306875","2026-09-11","21:09:12",""