# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-25T06:07:58+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 volume = 6 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
"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",""