# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-23T14:42:55+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 'Chemistry') 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
"1557221","32.77108","0.00017","30.00687","0.00016","40.3365","0.0002","90","","96.1279","0.0005","90","","39438.6","0.4","100","1","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C398.15 H435.65 B16 Co8 F64 N74.85 O39.35 -","- C361.56 H279.04 B9 Co8 F33 N72 O5.68 -","- C1446.24 H1116.16 B36 Co32 F132 N288 O22.72 -","4","0.5","","Mozaceanu,; Taylor,; Piper,; Argent,; Ward,","Catalysis of an Aldol Condensation Using a Coordination Cage","Chemistry","2020","2","1","22","32","10.3390/chemistry2010004","","","0.6889","Synchrotron","","0.1117","0.0651","","","0.2094","0.2292","","","","","","0.957","","","","has coordinates,has disorder","258178","2020-10-21","18:00:00",""
"1557471","6.6586","0.0007","12.8635","0.0014","17.4187","0.0019","90","","99.657","0.003","90","","1470.8","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Cl6 Cu3 N16 O2 S4 -","- C10 H20 Cl6 Cu3 N16 O2 S4 -","- C20 H40 Cl12 Cu6 N32 O4 S8 -","2","0.5","","Gómez-Paz,; Carballo,; Lago,; Vázquez-López,","Metallosupramolecular Compounds Based on Copper(II/I) Chloride and Two Bis-Tetrazole Organosulfur Ligands","Chemistry","2020","2","1","33","49","10.3390/chemistry2010005","","","0.71073","MoKα","","0.0677","0.0494","","","0.1078","0.113","","","","","","1.143","","","","has coordinates","258180","2020-10-21","18:00:00",""
"1557472","6.7181","0.0005","12.9961","0.0009","12.9971","0.0009","64.067","0.002","79.492","0.002","82.134","0.002","1001.29","0.12","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H32 Cl6 Cu3 N20 O2 S4 -","- C18 H32 Cl6 Cu3 N20 O2 S4 -","- C18 H32 Cl6 Cu3 N20 O2 S4 -","1","0.5","","Gómez-Paz,; Carballo,; Lago,; Vázquez-López,","Metallosupramolecular Compounds Based on Copper(II/I) Chloride and Two Bis-Tetrazole Organosulfur Ligands","Chemistry","2020","2","1","33","49","10.3390/chemistry2010005","","","0.71073","MoKα","","0.0247","0.0209","","","0.0502","0.0514","","","","","","1.08","","","","has coordinates","258180","2020-10-21","18:00:00",""
"1557473","10.1237","0.0005","9.5414","0.0005","14.4784","0.0008","90","","93.65","0.002","90","","1395.69","0.13","100.01","","100.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Cl4 Cu4 N16 S4 -","- C12 H20 Cl4 Cu4 N16 S4 -","- C24 H40 Cl8 Cu8 N32 S8 -","2","0.5","","Gómez-Paz,; Carballo,; Lago,; Vázquez-López,","Metallosupramolecular Compounds Based on Copper(II/I) Chloride and Two Bis-Tetrazole Organosulfur Ligands","Chemistry","2020","2","1","33","49","10.3390/chemistry2010005","","","0.71073","MoKα","","0.0253","0.0212","","","0.0467","0.048","","","","","","1.081","","","","has coordinates","258180","2020-10-21","18:00:00",""
"1557474","20.3164","0.0018","6.5444","0.0006","12.8543","0.0011","90","","109.493","0.003","90","","1611.1","0.2","100.03","","100.03","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C3 H5 Cl2 Cu N4 S -","- C3 H5 Cl2 Cu N4 S -","- C24 H40 Cl16 Cu8 N32 S8 -","8","1","","Gómez-Paz,; Carballo,; Lago,; Vázquez-López,","Metallosupramolecular Compounds Based on Copper(II/I) Chloride and Two Bis-Tetrazole Organosulfur Ligands","Chemistry","2020","2","1","33","49","10.3390/chemistry2010005","","","0.71073","MoKα","","0.0222","0.0196","","","0.0453","0.0461","","","","","","1.166","","","","has coordinates","258180","2020-10-21","18:00:00",""
"1558001","16.144","0.016","19.437","0.019","22.33","0.02","110.119","0.015","104.06","0.02","90.752","0.015","6346","11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C204 H288 Cl2 Mn12 N10 O40 -","- C204 H270 Cl2 Mn12 N10 O40 -","- C204 H270 Cl2 Mn12 N10 O40 -","1","0.5","","Coletta, Marco; Palacios, Maria A.; Brechin, Euan K.; Dalgarno, Scott J.","A Brucite-Like Mixed-Valent Cluster Capped by [MnIIIp-tBu-calix[4]arene]− Moieties","Chemistry","2020","2","2","253","261","10.3390/chemistry2020016","","","0.71073","MoKα","","0.0719","0.0564","","","0.1696","0.181","","","","","","1.092","","","","has coordinates,has disorder","258181","2020-10-21","18:00:00",""
"1558494","33.04569","0.00013","30.13654","0.00016","39.97965","0.00019","90","","96.4337","0.0004","90","","39564.3","0.3","100","1","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C376 H392 B16 Co8 F64 N72 O33 -","- C351 H287 B14.5 Co8 F58 N72 O8 -","- C1404 H1148 B58 Co32 F232 N288 O32 -","4","0.5","","Taylor, Christopher G. P.; Train, Jennifer S.; Ward, Michael D.","Interactions of Small-Molecule Guests with Interior and Exterior Surfaces of a Coordination Cage Host","Chemistry","2020","2","2","510","524","10.3390/chemistry2020031","","","0.6889","Synchrotron","","0.0971","0.0719","","","0.2392","0.2596","","","","","","1.079","","","","has coordinates,has disorder","258182","2020-10-21","18:00:00",""
"1558495","32.8649","0.0002","29.89225","0.00018","40.5389","0.0004","90","","95.9164","0.0007","90","","39613.5","0.5","100","1","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C395.5 H411 B16 Co8 F64 N72 O35 -","- C367.428 H298.92 B14.338 Co8 F54.352 N72 O6.984 -","- C1469.71 H1195.68 B57.352 Co32 F217.408 N288 O27.936 -","4","0.5","","Taylor, Christopher G. P.; Train, Jennifer S.; Ward, Michael D.","Interactions of Small-Molecule Guests with Interior and Exterior Surfaces of a Coordination Cage Host","Chemistry","2020","2","2","510","524","10.3390/chemistry2020031","","","0.6889","Synchrotron","","0.1351","0.0853","","","0.2817","0.3169","","","","","","1.065","","","","has coordinates","258182","2020-10-21","18:00:00",""
"1558496","32.81236","0.00007","30.21497","0.00006","40.09564","0.00008","90","","96.3312","0.00019","90","","39509.4","0.14","100","1","100","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C380.04 H422.24 B16 Co8 F64 N73.12 O38.44 S1.12 -","- C343.984 H278.215 B16 Co8 F61 N73.1076 O2.4462 S1.1076 -","- C1375.94 H1112.86 B64 Co32 F244 N292.43 O9.7848 S4.4304 -","4","0.5","","Taylor, Christopher G. P.; Train, Jennifer S.; Ward, Michael D.","Interactions of Small-Molecule Guests with Interior and Exterior Surfaces of a Coordination Cage Host","Chemistry","2020","2","2","510","524","10.3390/chemistry2020031","","","0.6889","Synchrotron","","0.0926","0.0672","","","0.2167","0.2358","","","","","","1.098","","","","has coordinates,has disorder","258182","2020-10-21","18:00:00",""
"1558497","32.8588","0.00017","30.06718","0.00013","40.1053","0.0002","90","","96.0585","0.0005","90","","39401.6","0.3","100","1","100","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C377 H416 B16 Cl2 Co8 F64 N72 O39 -","- C339 H262 B9.17 Cl2 Co8 F33.68 N72 O -","- C1356 H1048 B36.68 Cl8 Co32 F134.72 N288 O4 -","4","0.5","","Taylor, Christopher G. P.; Train, Jennifer S.; Ward, Michael D.","Interactions of Small-Molecule Guests with Interior and Exterior Surfaces of a Coordination Cage Host","Chemistry","2020","2","2","510","524","10.3390/chemistry2020031","","","0.6889","Synchrotron","","0.1176","0.0827","","","0.2785","0.3038","","","","","","1.091","","","","has coordinates,has disorder","258182","2020-10-21","18:00:00",""
"1558498","32.56923","0.0001","30.16165","0.0001","40.83634","0.00017","90","","95.9061","0.0003","90","","39902.3","0.2","100","1","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C407.8 H417.66 B16 Co8 F64 N72 O31.03 -","- C376.05 H308.5 B14.4526 Co8 F54.8104 N72 O5.28 -","- C1504.2 H1234 B57.8104 Co32 F219.242 N288 O21.12 -","4","0.5","","Taylor, Christopher G. P.; Train, Jennifer S.; Ward, Michael D.","Interactions of Small-Molecule Guests with Interior and Exterior Surfaces of a Coordination Cage Host","Chemistry","2020","2","2","510","524","10.3390/chemistry2020031","","","0.6889","Synchrotron","","0.1201","0.0827","","","0.2704","0.2981","","","","","","1.083","","","","has coordinates,has disorder","258182","2020-10-21","18:00:00",""
"1559274","26.8903","0.0012","26.8903","0.0012","26.8903","0.0012","90","","90","","90","","19444.1","1.5","100","2","99.99","","","","","","","","","3","F m -3 m","-F 4 2 3","225","UiO-67-Me~2~","","","- C96 O40 Zr6 -","- C96 O40 Zr6 -","- C384 O160 Zr24 -","4","0.0208333","","Øien-Ødegaard, Sigurd; Lillerud, Karl","Twinning in Zr-Based Metal-Organic Framework Crystals","Chemistry","2020","2","3","777","786","10.3390/chemistry2030050","","x-ray","0.71073","MoKα","","0.0531","0.0479","","","0.1686","0.1743","","","","","","1.127","","","","has coordinates","258172","2020-10-21","18:00:00",""
"1561479","10.6741","0.0002","14.2858","0.0002","17.5012","0.0003","90","","99.597","0.002","90","","2631.37","0.08","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Chloropentaphenyldisiloxane","","- C30 H25 Cl O Si2 -","- C30 H25 Cl O Si2 -","- C120 H100 Cl4 O4 Si8 -","4","1","","Bauer, Jonathan O.; Götz, Tobias","Chloropentaphenyldisiloxane—Model Study on Intermolecular Interactions in the Crystal Structure of a Monofunctionalized Disiloxane","Chemistry","2021","3","2","444","453","10.3390/chemistry3020033","","","1.39222","CuKβ","","0.0397","0.0347","","","0.0954","0.0994","","","","","","1.045","","","","has coordinates","301787","2025-08-18","22:19:34",""
"1567584","20.9197","0.0002","14.8105","0.0002","21.4828","0.0002","90","","90","","90","","6656.04","0.13","230","2","230","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C69 H63 F18 N8 P3 -","- C69 H57 F18 N8 P3 -","- C276 H228 F72 N32 P12 -","4","1","","La Cognata, Sonia; Armentano, Donatella; Marchesi, Nicoletta; Grisoli, Pietro; Pascale, Alessia; Kieffer, Marion; Taglietti, Angelo; Davis, Anthony P.; Amendola, Valeria","A Benzimidazolium-Based Organic Cage with Antimicrobial Activity","Chemistry","2022","4","3","855","864","10.3390/chemistry4030061","","","0.6889","Synchrotron","","0.2046","0.1627","","","0.4143","0.4433","","","","","","1.475","","","","has coordinates,has disorder","277683","2022-09-06","15:32:47",""
"1569030","20.0701","0.0004","6.4604","0.0001","22.2814","0.0005","90","","107.245","0.002","90","","2759.15","0.1","120","","120","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C7 H4 Gd K4 N7 O6 S7 -","- C7 H4 Gd K4 N7 O6 S7 -","- C28 H16 Gd4 K16 N28 O24 S28 -","4","0.5","","Wan, Qingyun; Arczyński, Mirosław; Wakizaka, Masanori; Gupta, Shraddha; Funakoshi, Nobuto; Yamashita, Masahiro","Single-Ion Magnetism in a Three-Dimensional Thiocyanate-Bridged Dysprosium(III) Framework","Chemistry","2023","5","2","987","995","10.3390/chemistry5020067","","x-ray","0.71073","MoKα","","0.0187","0.0162","","","0.0429","0.0439","","","","","","1.122","","","","has coordinates","283515","2023-05-05","10:40:31",""
"1569031","20.0808","0.0004","6.4405","0.0001","22.2609","0.0004","90","","107.379","0.002","90","","2747.58","0.09","120","","120","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C7 H4 Dy K4 N7 O6 S7 -","- C7 H4 Dy K4 N7 O6 S7 -","- C28 H16 Dy4 K16 N28 O24 S28 -","4","0.5","","Wan, Qingyun; Arczyński, Mirosław; Wakizaka, Masanori; Gupta, Shraddha; Funakoshi, Nobuto; Yamashita, Masahiro","Single-Ion Magnetism in a Three-Dimensional Thiocyanate-Bridged Dysprosium(III) Framework","Chemistry","2023","5","2","987","995","10.3390/chemistry5020067","","x-ray","0.71073","MoKα","","0.0241","0.0187","","","0.041","0.0487","","","","","","1.16","","","","has coordinates","283516","2023-05-05","10:41:03",""
"1569032","20.0705","0.0005","6.4492","0.0001","22.255","0.0005","90","","107.304","0.003","90","","2750.28","0.11","120","","120","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C7 H4 K4 N7 O6 S7 Tb -","- C7 H4 K4 N7 O6 S7 Tb -","- C28 H16 K16 N28 O24 S28 Tb4 -","4","0.5","","Wan, Qingyun; Arczyński, Mirosław; Wakizaka, Masanori; Gupta, Shraddha; Funakoshi, Nobuto; Yamashita, Masahiro","Single-Ion Magnetism in a Three-Dimensional Thiocyanate-Bridged Dysprosium(III) Framework","Chemistry","2023","5","2","987","995","10.3390/chemistry5020067","","x-ray","0.71073","MoKα","","0.0313","0.025","","","0.0615","0.0645","","","","","","1.072","","","","has coordinates","283517","2023-05-05","10:41:25",""
"1569033","16.1305","0.0005","8.6024","0.0003","7.3426","0.0002","90","","96.425","0.001","90","","1012.47","0.05","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Co O6 -","- C10 H8 Co O6 -","- C40 H32 Co4 O24 -","4","0.5","","Cammiade, Aimée E. L.; Straub, Laura; van Gerven, David; Wickleder, Mathias S.; Ruschewitz, Uwe","Synthesis, Structure, and Spectroscopic Properties of Luminescent Coordination Polymers Based on the 2,5-Dimethoxyterephthalate Linker","Chemistry","2023","5","2","965","977","10.3390/chemistry5020065","","","0.56086","AgKα","","0.0238","0.0225","","","0.0584","0.0589","","","","","","1.118","","","","has coordinates","283518","2023-05-05","10:42:05",""
"1569034","8.833","0.003","9.691","0.003","18.674","0.006","98.274","0.007","93.305","0.01","107.308","0.009","1501.7","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 Mg2 N2 O14 -","- C26 H30 Mg2 N2 O14 -","- C52 H60 Mg4 N4 O28 -","2","1","","Cammiade, Aimée E. L.; Straub, Laura; van Gerven, David; Wickleder, Mathias S.; Ruschewitz, Uwe","Synthesis, Structure, and Spectroscopic Properties of Luminescent Coordination Polymers Based on the 2,5-Dimethoxyterephthalate Linker","Chemistry","2023","5","2","965","977","10.3390/chemistry5020065","","x-ray","0.71073","MoKα","","0.1208","0.0744","","","0.1448","0.1659","","","","","","1.032","","","","has coordinates","283519","2023-05-05","10:42:35",""
"1569277","6.0996","0.0004","9.0669","0.0008","13.1358","0.0007","92.931","0.003","92.212","0.005","91.885","0.006","724.53","0.09","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H10 Br4 N4 Pb -","- C4 H10 Br4 N4 Pb -","- C8 H20 Br8 N8 Pb2 -","2","1","","García-Espejo, Gonzalo; Konidaris, Konstantis F.; Guagliardi, Antonietta; Masciocchi, Norberto","Using Imidazolium in the Construction of Hybrid 2D and 3D Lead Bromide Pseudoperovskites","Chemistry","2023","5","2","1329","1343","10.3390/chemistry5020090","powder diffraction","","1.5418","CuKα","","","","","","","","","0.04","8.2","","","","","","","has coordinates","284350","2023-06-05","11:35:26",""
"1569278","9.0885","0.0001","9.0885","0.0001","13.8787","0.0001","90","","90","","120","","992.805","0.017","293","","293","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C4 H11 Br6 N3 Pb2 -","- C3 H10.5 Br6 N3.856 Pb2 -","- C6 H21 Br12 N7.712 Pb4 -","2","0.0833333","","García-Espejo, Gonzalo; Konidaris, Konstantis F.; Guagliardi, Antonietta; Masciocchi, Norberto","Using Imidazolium in the Construction of Hybrid 2D and 3D Lead Bromide Pseudoperovskites","Chemistry","2023","5","2","1329","1343","10.3390/chemistry5020090","powder diffraction","","1.5418","CuKα","","","","","","","","","0.089","12.7","","","","","","","has coordinates","284351","2023-06-05","11:36:19",""
"1569437","11.2351","0.0002","14.8801","0.0002","12.565","0.0003","90","","103.108","0.002","90","","2045.88","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 Cd2 N8 O12 -","- C32 H36 Cd2 N8 O12 -","- C64 H72 Cd4 N16 O24 -","2","0.5","","Soldin, Željka; Kukovec, Boris-Marko; Kovačić, Milica; Đaković, Marijana; Popović, Zora","The Anion Impact on Dimensionality of Cadmium(II) Complexes with Nicotinamide","Chemistry","2023","5","2","1357","1368","10.3390/chemistry5020092","","","0.71073","MoKα","","0.0549","0.0485","","","0.1667","0.1714","","","","","","1.084","","","","has coordinates","284986","2023-07-05","17:50:14",""
"1569438","7.4629","0.0002","24.0425","0.0006","18.6052","0.0004","90","","92.373","0.002","90","","3335.41","0.14","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Cd Cl2 N8 O15 -","- C24 H30 Cd Cl2 N8 O15 -","- C96 H120 Cd4 Cl8 N32 O60 -","4","1","","Soldin, Željka; Kukovec, Boris-Marko; Kovačić, Milica; Đaković, Marijana; Popović, Zora","The Anion Impact on Dimensionality of Cadmium(II) Complexes with Nicotinamide","Chemistry","2023","5","2","1357","1368","10.3390/chemistry5020092","","","0.71073","MoKα","","0.045","0.0344","","","0.097","0.1002","","","","","","1.048","","","","has coordinates","284987","2023-07-05","17:50:48",""
"1569439","7.5524","0.0001","12.9826","0.0002","16.088","0.0002","90","","92.296","0.001","90","","1576.16","0.04","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cd Cl2 N8 O12 -","- C24 H24 Cd Cl2 N8 O12 -","- C48 H48 Cd2 Cl4 N16 O24 -","2","0.5","","Soldin, Željka; Kukovec, Boris-Marko; Kovačić, Milica; Đaković, Marijana; Popović, Zora","The Anion Impact on Dimensionality of Cadmium(II) Complexes with Nicotinamide","Chemistry","2023","5","2","1357","1368","10.3390/chemistry5020092","","","0.71073","MoKα","","0.0457","0.0331","","","0.0918","0.0956","","","","","","1.076","","","","has coordinates","284988","2023-07-05","17:56:21",""
"1572288","10.3107","0.0002","11.4913","0.0002","15.7802","0.0003","84.206","0.001","88.346","0.002","81.786","0.002","1840.86","0.06","301","","301","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H42 B F5 Mn2 N6 O4 -","- C34 H42 B F5 Mn2 N6 O4 -","- C68 H84 B2 F10 Mn4 N12 O8 -","2","1","","Sugiyama, Junya; Umemoto, Yusuke; Sato, Sota; Yoneda, Ko; Koikawa, Masayuki","Crystal Structures, Magnetic Properties, and Redox Behaviors of Carboxylato-Bridged Mn(II) Complexes with Ditopic Ligands Featuring N3-Coordination Sites","Chemistry","2024","6","4","601","617","10.3390/chemistry6040036","","x-ray","0.71073","MoKα","","0.0355","0.0327","","","0.0892","0.0917","","","","","","1.053","","","","has coordinates,has disorder","293960","2024-08-06","01:17:43",""
"1572289","24.719","0.005","20.878","0.005","18.209","0.004","90","","97.229","0.004","90","","9323","4","113","","113","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C152 H210 F36 Mn8 N24 O42 P6 -","- C152 H210 F36 Mn8 N24 O42 P6 -","- C304 H420 F72 Mn16 N48 O84 P12 -","2","0.5","","Sugiyama, Junya; Umemoto, Yusuke; Sato, Sota; Yoneda, Ko; Koikawa, Masayuki","Crystal Structures, Magnetic Properties, and Redox Behaviors of Carboxylato-Bridged Mn(II) Complexes with Ditopic Ligands Featuring N3-Coordination Sites","Chemistry","2024","6","4","601","617","10.3390/chemistry6040036","","x-ray","0.71075","MoKα","","0.0805","0.0581","","","0.1459","0.1644","","","","","","1.074","","","","has coordinates,has disorder","293961","2024-08-06","01:18:03",""
"1572290","9.257","0.002","18.174","0.004","19.196","0.004","99.904","0.003","101.628","0.004","96.449","0.004","3079.7","1.1","113","","113","","","","","","","","","6","P -1","-P 1","2","","Mn4_tpon2","","- C136 H162 B2 Mn4 N12 O15 -","- C136 H162 B2 Mn4 N12 O15 -","- C136 H162 B2 Mn4 N12 O15 -","1","0.5","","Sugiyama, Junya; Umemoto, Yusuke; Sato, Sota; Yoneda, Ko; Koikawa, Masayuki","Crystal Structures, Magnetic Properties, and Redox Behaviors of Carboxylato-Bridged Mn(II) Complexes with Ditopic Ligands Featuring N3-Coordination Sites","Chemistry","2024","6","4","601","617","10.3390/chemistry6040036","","x-ray","0.71075","MoKα","","0.074","0.0582","","","0.1493","0.1673","","","","","","1.044","","","","has coordinates,has disorder","293962","2024-08-06","01:18:17",""
"1572803","40.203","0.002","7.4012","0.0004","13.2318","0.0006","90","","96.998","0.004","90","","3907.8","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36.5 H23 Cl N12 O12 -","- C36.5 H23 Cl N12 O12 -","- C146 H92 Cl4 N48 O48 -","4","0.5","","Dobre, Adela F.; Mădălan, Augustin M.; Hanganu, Anamaria; Ionita, Petre","Diazenium Betaines Derived from the Stable Free Radical DPPH with Diradicaloid Behavior","Chemistry","2024","6","5","899","910","10.3390/chemistry6050052","","","0.71073","MoKα","","0.0718","0.0589","","","0.185","0.2005","","","","","","1.044","","","","has coordinates","295353","2024-10-06","12:46:41",""
"1572804","16.4613","0.0004","14.2488","0.0003","20.9984","0.0005","90","","105.736","0.0013","90","","4740.66","0.19","305","2","305","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H34 N4 O12 Zn2 -","- C49 H34 N4 O12 Zn2 -","- C196 H136 N16 O48 Zn8 -","4","0.5","","Cheng, Fang-Ju; Wang, Kai-Min; Lee, Chia-Yi; Wang, Song-Wei; Thapa, Kedar Bahadur; Govindaraj, Manivannan; Chen, Jhy-Der","Influence of Metal Ions on the Structural Complexity of Mixed-Ligand Divalent Coordination Polymers","Chemistry","2024","6","5","1020","1038","10.3390/chemistry6050059","","","0.71073","MoKα","","0.0635","0.0602","","","0.1417","0.1429","","","","","","1.01","","","","has coordinates","295354","2024-10-06","12:47:44",""
"1572805","10.8657","0.0004","16.0134","0.0005","19.2892","0.0007","90","","90","","90","","3356.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 Cu N4 O11 -","- C36 H32 Cu N4 O11 -","- C144 H128 Cu4 N16 O44 -","4","1","","Cheng, Fang-Ju; Wang, Kai-Min; Lee, Chia-Yi; Wang, Song-Wei; Thapa, Kedar Bahadur; Govindaraj, Manivannan; Chen, Jhy-Der","Influence of Metal Ions on the Structural Complexity of Mixed-Ligand Divalent Coordination Polymers","Chemistry","2024","6","5","1020","1038","10.3390/chemistry6050059","","","0.71073","MoKα","","0.0526","0.0377","","","0.0841","0.0904","","","","","","1.017","","","","has coordinates","295354","2024-10-06","12:47:44",""
"1572806","29.3869","0.0004","10.0253","0.0001","21.6458","0.0003","90","","93.1008","0.0007","90","","6367.79","0.14","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 Cd N4 O9 -","- C36 H28 Cd N4 O9 -","- C288 H224 Cd8 N32 O72 -","8","1","","Cheng, Fang-Ju; Wang, Kai-Min; Lee, Chia-Yi; Wang, Song-Wei; Thapa, Kedar Bahadur; Govindaraj, Manivannan; Chen, Jhy-Der","Influence of Metal Ions on the Structural Complexity of Mixed-Ligand Divalent Coordination Polymers","Chemistry","2024","6","5","1020","1038","10.3390/chemistry6050059","","","0.71073","MoKα","","0.037","0.0292","","","0.0705","0.0746","","","","","","1.06","","","","has coordinates","295354","2024-10-06","12:47:45",""
"1572807","11.5475","0.0013","21.944","0.002","20.8","0.002","90","","92.035","0.002","90","","5267.4","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H47 Co4 N2 O21 -","- C47 H45 Co4 N2 O21 -","- C188 H180 Co16 N8 O84 -","4","1","","Cheng, Fang-Ju; Wang, Kai-Min; Lee, Chia-Yi; Wang, Song-Wei; Thapa, Kedar Bahadur; Govindaraj, Manivannan; Chen, Jhy-Der","Influence of Metal Ions on the Structural Complexity of Mixed-Ligand Divalent Coordination Polymers","Chemistry","2024","6","5","1020","1038","10.3390/chemistry6050059","","","0.71073","MoKα","","0.15","0.0766","","","0.1945","0.2315","","","","","","1.051","","","","has coordinates,has disorder","295354","2024-10-06","12:47:45",""
"1572808","18.5332","0.0003","15.1797","0.0003","15.6862","0.0003","90","","107.029","0.001","90","","4219.5","0.14","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 N4 O12 Zn2 -","- C44 H42 N4 O12 Zn2 -","- C176 H168 N16 O48 Zn8 -","4","1","","Cheng, Fang-Ju; Wang, Kai-Min; Lee, Chia-Yi; Wang, Song-Wei; Thapa, Kedar Bahadur; Govindaraj, Manivannan; Chen, Jhy-Der","Influence of Metal Ions on the Structural Complexity of Mixed-Ligand Divalent Coordination Polymers","Chemistry","2024","6","5","1020","1038","10.3390/chemistry6050059","","","0.71073","MoKα","","0.1029","0.0475","","","0.1033","0.124","","","","","","1.012","","","","has coordinates","295354","2024-10-06","12:47:45",""
"1572809","19.7055","0.0007","15.5586","0.0006","8.7536","0.0003","90","","111.408","0.002","90","","2498.6","0.16","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Cd N4 O7 -","- C24 H32 Cd N4 O7 -","- C96 H128 Cd4 N16 O28 -","4","0.5","","Cheng, Fang-Ju; Wang, Kai-Min; Lee, Chia-Yi; Wang, Song-Wei; Thapa, Kedar Bahadur; Govindaraj, Manivannan; Chen, Jhy-Der","Influence of Metal Ions on the Structural Complexity of Mixed-Ligand Divalent Coordination Polymers","Chemistry","2024","6","5","1020","1038","10.3390/chemistry6050059","","","0.71073","MoKα","","0.0728","0.0401","","","0.067","0.0758","","","","","","1.018","","","","has coordinates","295354","2024-10-06","12:47:46",""
"1573420","6.6582","0.0003","8.2694","0.0004","32.8995","0.0009","94.801","0.003","90.106","0.003","99.151","0.004","1781.88","0.13","263.15","","263.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 F6 P S12 -","- C28 H32 F6 P S12 -","- C56 H64 F12 P2 S24 -","2","1","","Fujisaki, Masahiro; Naito, Ryoya; Shirahata, Takashi; Kawasugi, Yoshitaka; Tajima, Naoya; Misaki, Yohji","Molecular Conductors Based on Dimethylcyclohexene-Fused Tetrathiafulvalene","Chemistry","2024","6","6","1509","1522","10.3390/chemistry6060091","","x-ray","0.71073","MoKα","","0.1209","0.0584","","","0.1049","0.1266","","","","","","0.962","","","","has coordinates,has disorder","296735","2024-12-07","02:53:05",""
"1573421","6.6663","0.0003","8.202","0.0004","32.6647","0.0013","93.919","0.004","92.093","0.003","100.116","0.004","1751.99","0.14","263.15","","263.15","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H64 Cl2 O8 S24 -","- C56 H64 Cl2 O8 S24 -","- C56 H64 Cl2 O8 S24 -","1","0.5","","Fujisaki, Masahiro; Naito, Ryoya; Shirahata, Takashi; Kawasugi, Yoshitaka; Tajima, Naoya; Misaki, Yohji","Molecular Conductors Based on Dimethylcyclohexene-Fused Tetrathiafulvalene","Chemistry","2024","6","6","1509","1522","10.3390/chemistry6060091","","x-ray","0.71073","MoKα","","0.08","0.0556","","","0.1378","0.1506","","","","","","1.056","","","","has coordinates,has disorder","296736","2024-12-07","02:53:25",""
"1573422","6.6158","0.0002","8.0542","0.0003","32.5826","0.0007","93.731","0.003","92.451","0.002","99.953","0.003","1703.83","0.09","446.15","","446.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Cl O4 S12 -","- C28 H32 Cl O4 S12 -","- C56 H64 Cl2 O8 S24 -","2","1","","Fujisaki, Masahiro; Naito, Ryoya; Shirahata, Takashi; Kawasugi, Yoshitaka; Tajima, Naoya; Misaki, Yohji","Molecular Conductors Based on Dimethylcyclohexene-Fused Tetrathiafulvalene","Chemistry","2024","6","6","1509","1522","10.3390/chemistry6060091","","x-ray","0.71073","MoKα","","0.0537","0.0419","","","0.0992","0.1054","","","","","","1.033","","","","has coordinates,has disorder","296737","2024-12-07","02:53:37",""
"1573423","6.6189","0.0002","8.1402","0.0002","32.8895","0.0008","94.785","0.002","90.361","0.002","99.344","0.002","1742.1","0.08","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 F6 P S12 -","- C28 H32 F6 P S12 -","- C56 H64 F12 P2 S24 -","2","1","","Fujisaki, Masahiro; Naito, Ryoya; Shirahata, Takashi; Kawasugi, Yoshitaka; Tajima, Naoya; Misaki, Yohji","Molecular Conductors Based on Dimethylcyclohexene-Fused Tetrathiafulvalene","Chemistry","2024","6","6","1509","1522","10.3390/chemistry6060091","","x-ray","0.71073","MoKα","","0.062","0.0409","","","0.0792","0.086","","","","","","1.031","","","","has coordinates,has disorder","296738","2024-12-07","02:53:57",""
"1573424","6.6442","0.0002","8.2163","0.0001","32.9681","0.0006","95.051","0.002","90.064","0.002","98.937","0.002","1770.8","0.07","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 As F6 S12 -","- C28 H32 As F6 S12 -","- C56 H64 As2 F12 S24 -","2","1","","Fujisaki, Masahiro; Naito, Ryoya; Shirahata, Takashi; Kawasugi, Yoshitaka; Tajima, Naoya; Misaki, Yohji","Molecular Conductors Based on Dimethylcyclohexene-Fused Tetrathiafulvalene","Chemistry","2024","6","6","1509","1522","10.3390/chemistry6060091","","x-ray","0.71073","MoKα","","0.0353","0.0303","","","0.0719","0.0741","","","","","","1.028","","","","has coordinates,has disorder","296739","2024-12-07","02:54:18",""
"1573425","16.9059","0.0006","10.6492","0.0004","18.4816","0.0009","90","","90","","90","","3327.3","0.2","170","0.1","170.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H9 Eu N3 O12 -","- C21 H9 Eu N3 O12 -","- C84 H36 Eu4 N12 O48 -","4","0.5","","Shi, Bojun; Jia, Hao; Chen, Lingfang; Zhang, Shuchun; Zhang, Yu; Yin, Baipeng; Bai, Shuming; Zhang, Chuang","Dynamic Magnetic Control of Lanthanide Metal–Organic Framework Crystals and Their Polarized Emissions","Chemistry","2024","6","6","1415","1426","10.3390/chemistry6060084","","","0.71073","MoKα","","0.0352","0.0309","","","0.074","0.0759","","","","","","1.095","","","","has coordinates","296740","2024-12-07","02:54:32",""