# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-08T00:24:32+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 4/n c c' 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
"1543834","20.2347","0.001","20.2347","0.001","9.6664","0.0005","90","","90","","90","","3957.8","0.3","100","2","100","2","","","","","","","","4","P 4/n c c","-P 4a 2ac","130","cis-porphyrin","21,22-Dimethyl-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin","","- C46 H14 F20 N4 -","- C46 H14 F20 N4 -","- C184 H56 F80 N16 -","4","","","Naito, Wakana; Yasuda, Nobuhiro; Morimoto, Tatsuki; Shigeta, Yasuteru; Takaya, Hikaru; Hisaki, Ichiro; Maeda, Hiromitsu","Doubly N-Methylated Porphyrinoids.","Organic letters","2016","18","12","3006","3009","10.1021/acs.orglett.6b01377","","","0.8","synchrotron","","0.0912","0.0586","","","0.1582","0.1876","","","","","","1.035","","","","has coordinates,has disorder","184917","2020-10-21","18:00:00",""
"1550262","19.6778","0.0008","19.6778","0.0008","38.0292","0.0019","90","","90","","90","","14725.5","1.1","100","2","100","2","","","","","","","","6","P 4/n c c","-P 4a 2ac","130","CAR4128A","mayer27","","- C124 H210 Co N12 O40 Ti8 -","- C80 H144 O40 Ti8 -","- C320 H576 O160 Ti32 -","4","","","Saouma, Caroline T.; Tsou, Chih-Chin; Richard, Sarah; Ameloot, Rob; Vermoortele, Frederik; Smolders, Simon; Bueken, Bart; Valdez, Carolyn; DiPasquale, Antonio; Kaminsky, Werner; De Vos, Dirk; Mayer, James M.","Sodium-Coupled Electron Transfer Reactivity of Metal-Organic Frameworks Containing Titanium Clusters: The Importance of Cations in Redox Chemistry","Chemical Science","2019","","","","","10.1039/C8SC04138E","","","0.71073","MoKα","","0.1693","0.1257","","","0.3411","0.367","","","","","","1.074","","","","has coordinates","212050","2020-10-21","18:00:00",""
"2000271","9.131","0.001","9.131","0.001","8.146","0.003","90","","90","","90","","679.2","0.3","","","","","","","","","","","","4","P 4/n c c","-P 4a 2ac","","","","","- As2 H4 O9 V -","- As2 H4 O9 V -","- As8 H16 O36 V4 -","4","","CR0308","Wang, S.-L.; Lee, W.-C.","Structure of vanadyl(IV) dihydrogenarsenate","Acta Crystallographica Section C","1991","47","8","1709","1711","10.1107/S0108270191002214","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"4345866","14.405","0.004","14.405","0.004","18.418","0.005","90","","90","","90","","3821.8","1.8","400","","400","","","","","","","","","5","P 4/n c c","-P 4a 2ac","130","","","","- C38 H28 Mn3 N10 O4 -","- C38 H28 Mn3 N10 O4 -","- C152 H112 Mn12 N40 O16 -","4","","","Ohtani, Ryo; Grosjean, Arnaud; Ishikawa, Ryuta; Yamamoto, Riho; Nakamura, Masaaki; Clegg, Jack K.; Hayami, Shinya","Zero in-Plane Thermal Expansion in Guest-Tunable 2D Coordination Polymers.","Inorganic chemistry","2017","56","11","6225","6233","10.1021/acs.inorgchem.7b00282","","","0.71075","MoKα","","0.1328","0.1068","","","0.2107","0.225","","","","","","1.346","","","","has coordinates","198418","2020-10-21","18:00:00",""
"4345867","14.408","0.004","14.408","0.004","18.361","0.005","90","","90","","90","","3811.6","1.8","380","","380","","","","","","","","","5","P 4/n c c","-P 4a 2ac","130","","","","- C38 H28 Mn3 N10 O4.25 -","- C38 H28 Mn3 N10 O4.25 -","- C152 H112 Mn12 N40 O17 -","4","","","Ohtani, Ryo; Grosjean, Arnaud; Ishikawa, Ryuta; Yamamoto, Riho; Nakamura, Masaaki; Clegg, Jack K.; Hayami, Shinya","Zero in-Plane Thermal Expansion in Guest-Tunable 2D Coordination Polymers.","Inorganic chemistry","2017","56","11","6225","6233","10.1021/acs.inorgchem.7b00282","","","0.71075","MoKα","","0.1225","0.1019","","","0.1969","0.2074","","","","","","1.361","","","","has coordinates","198418","2020-10-21","18:00:00",""
"4345868","14.422","0.003","14.422","0.003","18.294","0.004","90","","90","","90","","3805","1.4","340","","340","","","","","","","","","5","P 4/n c c","-P 4a 2ac","130","","","","- C38 H28 Mn3 N10 O4.66 -","- C38 H28 Mn3 N10 O4.66 -","- C152 H112 Mn12 N40 O18.64 -","4","","","Ohtani, Ryo; Grosjean, Arnaud; Ishikawa, Ryuta; Yamamoto, Riho; Nakamura, Masaaki; Clegg, Jack K.; Hayami, Shinya","Zero in-Plane Thermal Expansion in Guest-Tunable 2D Coordination Polymers.","Inorganic chemistry","2017","56","11","6225","6233","10.1021/acs.inorgchem.7b00282","","","0.71075","MoKα","","0.1267","0.108","","","0.1911","0.2","","","","","","1.357","","","","has coordinates","198418","2020-10-21","18:00:00",""
"4345871","14.36","0.004","14.36","0.004","18.449","0.006","90","","90","","90","","3804.4","1.9","340","","340","","","","","","","","","5","P 4/n c c","-P 4a 2ac","130","","","","- C38 H28 Mn3 N10 O4 -","- C38 H28 Mn3 N10 O4 -","- C152 H112 Mn12 N40 O16 -","4","","","Ohtani, Ryo; Grosjean, Arnaud; Ishikawa, Ryuta; Yamamoto, Riho; Nakamura, Masaaki; Clegg, Jack K.; Hayami, Shinya","Zero in-Plane Thermal Expansion in Guest-Tunable 2D Coordination Polymers.","Inorganic chemistry","2017","56","11","6225","6233","10.1021/acs.inorgchem.7b00282","","","0.71075","MoKα","","0.1097","0.0894","","","0.1705","0.1812","","","","","","1.258","","","","has coordinates","198418","2020-10-21","18:00:00",""
"4345902","14.273","0.003","14.273","0.003","18.451","0.005","90","","90","","90","","3758.8","1.5","260","","260","","","","","","","","","5","P 4/n c c","-P 4a 2ac","130","","","","- C38 H28 Mn3 N10 O4 -","- C38 H28 Mn3 N10 O4 -","- C152 H112 Mn12 N40 O16 -","4","","","Ohtani, Ryo; Grosjean, Arnaud; Ishikawa, Ryuta; Yamamoto, Riho; Nakamura, Masaaki; Clegg, Jack K.; Hayami, Shinya","Zero in-Plane Thermal Expansion in Guest-Tunable 2D Coordination Polymers.","Inorganic chemistry","2017","56","11","6225","6233","10.1021/acs.inorgchem.7b00282","","","0.71075","MoKα","","0.0877","0.0739","","","0.1515","0.1588","","","","","","1.212","","","","has coordinates","198367","2020-10-21","18:00:00",""
"6000526","6.9938","","6.9938","","17.784","","90","","90","","90","","869.87","","","","","","","","","","","","","5","P 4/n c c","","","","","","- D6 K O8 P U -","","","","","","Fitch, A. N.; Cole, M.","The structure of KUO2PO4.3D2O refined from neutron and synchrotron-radiation powder diffraction data","Materials Research Bulletin","1991","26","","407","414","10.1016/0025-5408(91)90055-Q","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7033314","13.642","0.003","13.642","0.003","35.545","0.011","90","","90","","90","","6615","3","296","2","296","2","","","","","","","","5","P 4/n c c","-P 4a 2ac","130","","","","- C18 H12 N6 O4 Zn2 -","- C18 H12 N6 O4 Zn2 -","- C144 H96 N48 O32 Zn16 -","8","","","Liu, Fu-Hong; Qin, Chao; Ding, Yan; Wu, Han; Shao, Kui-Zhan; Su, Zhong-Min","Pillared metal organic frameworks for the luminescence sensing of small molecules and metal ions in aqueous solutions.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1754","1760","10.1039/c4dt02961e","","","0.71073","MoKα","","0.1179","0.0637","","","0.1481","0.1689","","","","","","1.017","","","","has coordinates,has disorder","180039","2020-10-21","18:00:00",""
"7034894","16.679","0.003","16.679","0.003","16.933","0.003","90","","90","","90","","4710.6","1.5","93","","93","","","","","","","","","4","P 4/n c c","-P 4a 2ac","130","","","","- C46 H70 N4 O7 -","- C44 H64 N4 O6 -","- C176 H256 N16 O24 -","4","","","Nakai, Hidetaka; Nonaka, Kyoshiro; Goto, Takahiro; Seo, Juncheol; Matsumoto, Takahiro; Ogo, Seiji","A macrocyclic tetraamine bearing four phenol groups: a new class of heptadentate ligands to provide an oxygen-sensitive luminescent Tb(iii) complex with an extendable phenol pendant arm.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","10923","10927","10.1039/c5dt00816f","","","0.71075","MoKα","","0.1066","0.102","","","0.252","0.2534","","","","","","1.072","","","","has coordinates","143600","2020-10-21","18:00:00",""
"7035139","17.8177","0.0002","17.8177","0.0002","16.8493","0.0002","90","","90","","90","","5349.15","0.11","223","","223","","","","","","","","","6","P 4/n c c","-P 4a 2ac","130","AlTfO-G3","","","- C28 H56 Al2 F12 O26 S4 -","- C28 H56 Al2 F12 O26 S4 -","- C112 H224 Al8 F48 O104 S16 -","4","","","Mandai, Toshihiko; Masu, Hyuma; Johansson, Patrik","Extraordinary aluminum coordination in a novel homometallic double complex salt.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11259","11263","10.1039/c5dt01220a","","","1.54178","CuKα","","0.0557","0.054","","","0.166","0.1687","","","","","","1.102","","","","has coordinates,has disorder","143535","2020-10-21","18:00:00",""
"7037655","14.988","0.0004","14.988","0.0004","19.24","0.0005","90","","90","","90","","4322.1","0.2","150","2","150.15","","","","","","","","","6","P 4/n c c","-P 4a 2ac","130","","","","- C25 H26 Br N3 O9 Zn2 -","- C25 H26 Br N3 O9 Zn2 -","- C100 H104 Br4 N12 O36 Zn8 -","4","","","Cadman, Laura K.; Bristow, Jessica K.; Stubbs, Naomi E.; Tiana, Davide; Mahon, Mary F.; Walsh, Aron; Burrows, Andrew D.","Compositional control of pore geometry in multivariate metal-organic frameworks: an experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4316","4326","10.1039/c5dt04045k","","","0.71073","MoKα","","0.1212","0.0917","","","0.262","0.2795","","","","","","1.16","","","","has coordinates,has disorder","177798","2020-10-21","18:00:00",""
"7037656","14.976","0.0004","14.976","0.0004","19.238","0.0006","90","","90","","90","","4314.7","0.2","150","2","150","2","","","","","","","","6","P 4/n c c","-P 4a 2ac","130","","","","- C25 H25.8 Br1.2 N3 O9 Zn2 -","- C25 H25.8 Br1.2 N3 O9 Zn2 -","- C100 H103.2 Br4.8 N12 O36 Zn8 -","4","","","Cadman, Laura K.; Bristow, Jessica K.; Stubbs, Naomi E.; Tiana, Davide; Mahon, Mary F.; Walsh, Aron; Burrows, Andrew D.","Compositional control of pore geometry in multivariate metal-organic frameworks: an experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4316","4326","10.1039/c5dt04045k","","","0.71073","MoKα","","0.1109","0.0967","","","0.2472","0.2558","","","","","","1.129","","","","has coordinates,has disorder","177798","2020-10-21","18:00:00",""
"7037660","14.9813","0.0003","14.9813","0.0003","19.2011","0.0006","90","","90","","90","","4309.48","0.18","150","2","150.15","","","","","","","","","5","P 4/n c c","-P 4a 2ac","130","","","","- C29.8 H38.6 N5 O10.6 Zn2 -","- C22 H12 N2.4 O8 Zn2 -","- C88 H48 N9.6 O32 Zn8 -","4","","","Cadman, Laura K.; Bristow, Jessica K.; Stubbs, Naomi E.; Tiana, Davide; Mahon, Mary F.; Walsh, Aron; Burrows, Andrew D.","Compositional control of pore geometry in multivariate metal-organic frameworks: an experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4316","4326","10.1039/c5dt04045k","","x-ray","1.54184","CuKα","","0.081","0.065","","","0.1891","0.2081","","","","","","1.047","","","","has coordinates,has disorder","177798","2020-10-21","18:00:00",""
"7038652","14.9756","0.0005","14.9756","0.0005","19.2026","0.0008","90","","90","","90","","4306.5","0.3","200","2","200","2","","","","","","","","5","P 4/n c c","-P 4a 2ac","130","[Zn2(BDC)2(DABCO)],4DMF","","","- C34 H48 N6 O12 Zn2 -","- C34 H48 N6 O12 Zn2 -","- C136 H192 N24 O48 Zn8 -","4","","","Kim, Yonghwi; Haldar, Ritesh; Kim, Hyunuk; Koo, Jaehyoung; Kim, Kimoon","The guest-dependent thermal response of the flexible MOF Zn2(BDC)2(DABCO).","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4187","4192","10.1039/c5dt03710g","","","0.71073","MoKα","","0.0905","0.0481","","","0.1238","0.1462","","","","","","1.047","","","","has coordinates","177118","2020-10-21","18:00:00",""
"7038653","14.9367","0.0005","14.9367","0.0005","19.1785","0.0007","90","","90","","90","","4278.8","0.3","150","2","150","2","","","","","","","","5","P 4/n c c","-P 4a 2ac","130","[Zn2(BDC)2(DABCO)],4DMF","","","- C34 H48 N6 O12 Zn2 -","- C34 H48 N6 O12 Zn2 -","- C136 H192 N24 O48 Zn8 -","4","","","Kim, Yonghwi; Haldar, Ritesh; Kim, Hyunuk; Koo, Jaehyoung; Kim, Kimoon","The guest-dependent thermal response of the flexible MOF Zn2(BDC)2(DABCO).","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4187","4192","10.1039/c5dt03710g","","","0.71073","MoKα","","0.0847","0.0488","","","0.127","0.1464","","","","","","1.09","","","","has coordinates","177118","2020-10-21","18:00:00",""
"7038654","14.892","0.0004","14.892","0.0004","19.1557","0.0006","90","","90","","90","","4248.2","0.2","100","2","100","2","","","","","","","","5","P 4/n c c","-P 4a 2ac","130","[Zn2(BDC)2(DABCO)],4DMF","","","- C34 H48 N6 O12 Zn2 -","- C34 H48 N6 O12 Zn2 -","- C136 H192 N24 O48 Zn8 -","4","","","Kim, Yonghwi; Haldar, Ritesh; Kim, Hyunuk; Koo, Jaehyoung; Kim, Kimoon","The guest-dependent thermal response of the flexible MOF Zn2(BDC)2(DABCO).","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4187","4192","10.1039/c5dt03710g","","","0.71073","MoKα","","0.0768","0.0567","","","0.1563","0.1687","","","","","","1.1","","","","has coordinates","177118","2020-10-21","18:00:00",""
"7041553","13.6942","0.0002","13.6942","0.0002","24.9354","0.0004","90","","90","","90","","4676.16","0.12","200","2","200.01","","","","","","","","","7","P 4/n c c","-P 4a 2ac","130","","","","- C49 H44 F3 N8 O4 Ru2 S -","- C45 H36 F3 N8 O3 Ru2 S -","- C180 H144 F12 N32 O12 Ru8 S4 -","4","","","Corcos, Amanda R.; Berry, John F.","Anilinopyridinate-supported Ru2(x+) (x = 5 or 6) paddlewheel complexes with labile axial ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5532","5539","10.1039/c6dt04328c","","x-ray","0.71073","MoKα","","0.0431","0.0377","","","0.1866","0.1977","","","","","","1.083","","","","has coordinates,has disorder","196402","2020-10-21","18:00:00",""
"7047230","18.5028","0.0006","18.5028","0.0006","22.8486","0.0011","90","","90","","90","","7822.3","0.5","77","2","100","2","","","","","","","","7","P 4/n c c","-P 4a 2ac","130","","","","- C57 H80 Br Ge N4 O25 Rh13 -","- C57 H80 Br Ge N4 O25 Rh13 -","- C228 H320 Br4 Ge4 N16 O100 Rh52 -","4","","","Boccalini, Alberto; Dyson, Paul; Femoni, Cristina; Iapalucci, Maria Carmela; Ruggieri, Silvia; Zacchini, Stefano","Insertion of germanium atoms in high-nuclearity rhodium carbonyl compounds: synthesis, characterization and preliminary biological activity of the heterometallic [Rh13Ge(CO)25]3-, [Rh14Ge2(CO)30]2- and [Rh12Ge(CO)27]4- cluster anions.","Dalton Transactions","2018","","","","","10.1039/C8DT02466A","","","0.71073","MoKα","","0.0627","0.0482","","","0.0982","0.1035","","","","","","1.146","","","","has coordinates,has disorder","209491","2020-10-21","18:00:00",""
"7048612","14.5515","0.0001","14.5515","0.0001","17.66","0.0002","90","","90","","90","","3739.44","0.06","100","2","100","2","","","","","","","","6","P 4/n c c","-P 4a 2ac","130","PtMn07I","","","- C36 I1.7 Mn2 N8 O4 Pt -","- C36 I1.7 Mn2 N8 O4 Pt -","- C144 I6.8 Mn8 N32 O16 Pt4 -","4","","","Ohtani, Ryo; Yamamoto, Riho; Ohtsu, Hiroyoshi; Kawano, Masaki; Pirillo, Jenny; Hijikata, Yuh; Sadakiyo, Masaaki; Lindoy, Leonard F.; Hayami, Shinya","Consecutive oxidative additions of iodine on undulating 2D coordination polymers: formation of I‒Pt‒I chains and inhomogeneous layers","Dalton Transactions","2019","","","","","10.1039/C8DT04624G","powder diffraction","","1","synchrotron","","0.02369","","","","","","0.02285","0.04942","0.2079","","","","","","","has coordinates","213058","2020-10-21","18:00:00",""
"7117311","23.3111","0.0007","23.3111","0.0007","19.866","0.0008","90","","90","","90","","10795.3","0.6","150","2","150","2","","","","","","","","8","P 4/n c c","-P 4a 2ac","130","","YbZn4-py","","- C75 H72 F9 N16 O21 S3 Yb Zn4 -","- C75 H72 F9 N16 O21 S3 Yb Zn4 -","- C300 H288 F36 N64 O84 S12 Yb4 Zn16 -","4","","","Quan-Wen Li; Jun-Liang Liu; Jian-Hua Jia; Yan-Cong Chen; Jiang Liu; Long-Fei Wang; Ming-Liang Tong","'Half-sandwich' Yb^III^ single-ion magnets with metallacrowns","Chem.Commun.","2015","51","","10291","","10.1039/C5cc03389F","","","0.71073","MoKα","","0.0672","0.0501","","","0.1371","0.1471","","","","","","1.035","","","","has coordinates","139261","2020-10-21","18:00:00",""
"7118150","13.6578","0.0004","13.6578","0.0004","25.5535","0.0007","90","","90","","90","","4766.6","0.2","200","2","200","2","","","","","","","no","7","P 4/n c c","-P 4a 2ac","130","catena-[Co3(dpa)4(ReF6)] DMF solvate","","","- C46 H46 Co3 F6 N14 O2 Re -","- C46 H32 Co3 F6 N14 O2 Re -","- C184 H128 Co12 F24 N56 O8 Re4 -","4","","","Vladimir Bulicanu; Kasper S. Pedersen; Mathieu Rouzieres; Jesper Bendix; Pierre Dechambenoit; Rodolphe Clerac; Elizabeth A. Hillard","One-dimensional coordination polymers of [Co3(dpa)4]^2+^ and [MF6]^2-^ (M = ReIV, ZrIV and SnIV)","Chem.Commun.","2015","51","","17748","","10.1039/C5cc06704A","","","0.71073","MoKα","","0.0432","0.0299","","","0.0739","0.0819","","","","","","1.165","","","","has coordinates,has disorder","171417","2020-10-21","18:00:00",""
"7118151","13.6527","0.0004","13.6527","0.0004","25.7947","0.0008","90","","90","","90","","4808","0.2","200","2","200","2","","","","","","","no","7","P 4/n c c","-P 4a 2ac","130","catena-[Co3(dpa)4ZrF6] DMF solvate","","","- C46 H46 Co3 F6 N14 O2 Zr -","- C46 H32 Co3 F6 N14 O2 Zr -","- C184 H128 Co12 F24 N56 O8 Zr4 -","4","","","Vladimir Bulicanu; Kasper S. Pedersen; Mathieu Rouzieres; Jesper Bendix; Pierre Dechambenoit; Rodolphe Clerac; Elizabeth A. Hillard","One-dimensional coordination polymers of [Co3(dpa)4]^2+^ and [MF6]^2-^ (M = ReIV, ZrIV and SnIV)","Chem.Commun.","2015","51","","17748","","10.1039/C5cc06704A","","","0.71073","MoKα","","0.0853","0.0496","","","0.1128","0.1331","","","","","","1.113","","","","has coordinates,has disorder","171417","2020-10-21","18:00:00",""
"7118152","13.6633","0.0012","13.6633","0.0012","25.701","0.002","90","","90","","90","","4798","0.7","200","2","200","2","","","","","","","no","7","P 4/n c c","-P 4a 2ac","130","catena-[Co3(dpa)4(SnF6)] DMF solvate","","","- C46 H46 Co3 F6 N14 O2 Sn -","- C46 H32 Co3 F6 N14 O2 Sn -","- C184 H128 Co12 F24 N56 O8 Sn4 -","4","","","Vladimir Bulicanu; Kasper S. Pedersen; Mathieu Rouzieres; Jesper Bendix; Pierre Dechambenoit; Rodolphe Clerac; Elizabeth A. Hillard","One-dimensional coordination polymers of [Co3(dpa)4]^2+^ and [MF6]^2-^ (M = ReIV, ZrIV and SnIV)","Chem.Commun.","2015","51","","17748","","10.1039/C5cc06704A","","","0.71073","MoKα","","0.0649","0.0387","","","0.0972","0.1163","","","","","","1.052","","","","has coordinates,has disorder","171417","2020-10-21","18:00:00",""
"7118189","11.4766","0.0003","11.4766","0.0003","30.5554","0.0011","90","","90","","90","","4024.5","0.2","130","1","130","1","","","","","","","","6","P 4/n c c","-P 4a 2ac","130","","","","- C40 H38 Cu2 N9 O12 S2 -","- C40 H34 Cu2 N9 O12.02 S2 -","- C160 H136 Cu8 N36 O48.08 S8 -","4","","","Abrahams, C. T.; Abrahams, B. F.; Hudson, T. A.; Robson, R.","Templation of a square grid copper(ii) 4,4'-bipyridine network by a 3D PtS-related Cu(i)-Cu(ii) 4,4'-bipyridine crystal.","Chemical communications (Cambridge, England)","2016","52","3","609","612","10.1039/c5cc08266h","","","1.54184","CuKα","","0.087","0.0667","","","0.2106","0.2238","","","","","","1.11","","","","has coordinates","171848","2020-10-21","18:00:00",""
"7118190","11.5095","0.0005","11.5095","0.0005","15.4286","0.0007","90","","90","","90","","2043.8","0.16","240","2","240","2","","","","","","","","6","P 4/n c c","-P 4a 2ac","130","","","","- C20 H20 Cu N4 O8 S2 -","- C20 H20 Cu N4 O8 S2 -","- C80 H80 Cu4 N16 O32 S8 -","4","","","Abrahams, C. T.; Abrahams, B. F.; Hudson, T. A.; Robson, R.","Templation of a square grid copper(ii) 4,4'-bipyridine network by a 3D PtS-related Cu(i)-Cu(ii) 4,4'-bipyridine crystal.","Chemical communications (Cambridge, England)","2016","52","3","609","612","10.1039/c5cc08266h","","x-ray","1.54184","CuKα","","0.0709","0.0604","","","0.1602","0.166","","","","","","1.171","","","","has coordinates","171848","2020-10-21","18:00:00",""
"7119441","25.9455","0.0003","25.9455","0.0003","24.2457","0.0002","90","","90","","90","","16321.5","0.3","153","","153","","","","","","","","","5","P 4/n c c","-P 4a 2ac","130","","SPA/TPMA/DCB","","- C39 H31 N O3 S -","- C39 H31 N O3 S -","- C624 H496 N16 O48 S16 -","16","","","Tetsuya; Hasegawa; Kei; Ohkubo; Ichiro; Hisaki; Mikiji; Miyata; Norimitsu; Tohnai; Shunichi; Fukuzumi","Photoinduced electron transfer in porous organic salt crystals impregnated with fullerenes","Chem.Commun.","2016","52","","7928","","","","","0.75","synchrotron","","0.0842","0.0603","","","0.1808","0.1965","","","","","","1.084","","","","has coordinates","301857","2025-08-21","22:47:33",""
"7119442","26.7747","0.0001","26.7747","0.0001","24.0725","0.0001","90","","90","","90","","17257.2","0.12","153","","153","","","","","","","","","5","P 4/n c c","-P 4a 2ac","130","","SPA/TPMA/C60","","- C60 H45 N O3 S -","- C60 H45 N O3 S -","- C960 H720 N16 O48 S16 -","16","","","Tetsuya; Hasegawa; Kei; Ohkubo; Ichiro; Hisaki; Mikiji; Miyata; Norimitsu; Tohnai; Shunichi; Fukuzumi","Photoinduced electron transfer in porous organic salt crystals impregnated with fullerenes","Chem.Commun.","2016","52","","7928","","","","","0.8","synchrotron","","0.1327","0.1138","","","0.348","0.3735","","","","","","1.58","","","","has coordinates,has disorder","190512","2020-10-21","18:00:00",""
"7119443","27.3864","0.001","27.3864","0.001","24.2386","0.0005","90","","90","","90","","18179.3","1","153","","153","","","","","","","","","5","P 4/n c c","-P 4a 2ac","130","","SPA/TPMA/C70","","- C62.5 H45 N O3 S -","- C62.5 H45 N O3 S -","- C1000 H720 N16 O48 S16 -","16","","","Tetsuya; Hasegawa; Kei; Ohkubo; Ichiro; Hisaki; Mikiji; Miyata; Norimitsu; Tohnai; Shunichi; Fukuzumi","Photoinduced electron transfer in porous organic salt crystals impregnated with fullerenes","Chem.Commun.","2016","52","","7928","","","","","0.8","synchrotron","","0.3169","0.1293","","","0.3439","0.4357","","","","","","1.19","","","","has coordinates,has disorder","190512","2020-10-21","18:00:00",""
"7120741","22.064","0.003","22.064","0.003","62.075","0.012","90","","90","","90","","30219","8","80","2","80","2","","","","","","","","9","P 4/n c c","-P 4a 2ac","130","","","","- C270 H228 B3 Cl2 F12 I N26 O8 Pd4 -","- C270 H228 B3 Cl2 F12 I N26 O8 Pd4 -","- C1080 H912 B12 Cl8 F48 I4 N104 O32 Pd16 -","4","","","Löffler, Susanne; Wuttke, Axel; Zhang, Bo; Holstein, Julian J.; Mata, Ricardo A.; Clever, Guido H.","Influence of Size, Shape, Heteroatom Content and Dispersive Contributions on Guest Binding in a Coordination Cage","Chem. Commun.","2017","","","","","10.1039/C7CC04855F","","","0.5636","synchrotron","","0.1132","0.095","","","0.3564","0.384","","","","","","1.632","","","","has coordinates,has disorder","301860","2025-08-22","09:23:29",""
"7121576","19.9412","0.0009","19.9412","0.0009","24.1342","0.0015","90","","90","","90","","9597","0.9","100","2","100","2","","","","","","","","6","P 4/n c c","-P 4a 2ac","130","","","","- C72 H60 B3 F15 Fe3 N48 -","- C72 H60 B3 F15 Fe3 N48 -","- C288 H240 B12 F60 Fe12 N192 -","4","","","Fernandez-Bartolomé, Estefania; Santos, Jose; Khodabakhshi, Saeed; McCormick, Laura J.; Teat, Simon; Sáenz de Pipaón, Cristina; Galan-Mascaros, Jose; Martín, Nazario; Sanchez Costa, Jose","A Robust and Unique Iron(II) Mosaic-like MOF Architecture","Chemical Communications","2018","","","","","10.1039/C8CC01561A","","","0.7749","synchrotron","","0.1508","0.1301","","","0.4997","0.5509","","","","","","2.717","","","","has coordinates,has disorder","207512","2020-10-21","18:00:00",""
"7224736","16.918","0.002","16.918","0.002","32.534","0.005","90","","90","","90","","9312","2","293","","293","","","","","","","","","7","P 4/n c c","-P 4a 2ac","130","","","","- C100 H98 Br2 Cu2 N16 O5 S -","- C100 H96 Br2 Cu2 N16 O5 S -","- C400 H384 Br8 Cu8 N64 O20 S4 -","4","","","Sone, Eriko; Sato, Moeko; Mochizuki, Masaru; Kamio, Chihiro; Yamanishi, Katsunori; Kondo, Mitsuru","Cationic M2L4cages for perchlorate removal from aqueous solutions and preferential perchlorate incorporation in hydrophilic solutions","CrystEngComm","2016","18","26","5004","","10.1039/C6CE00267F","","","0.7107","MoKα","","0.0974","0.0755","","","0.1341","0.1442","","","","","","1.073","","","","has coordinates","185202","2020-10-21","18:00:00",""
"7224737","16.689","0.004","16.689","0.004","32.737","0.008","90","","90","","90","","9118","4","293","","293","","","","","","","","","7","P 4/n c c","-P 4a 2ac","130","","","","- C100 H98 Cl2 Cu2 N16 O5 S -","- C100 H96 Cl2 Cu2 N16 O5 S -","- C400 H384 Cl8 Cu8 N64 O20 S4 -","4","","","Sone, Eriko; Sato, Moeko; Mochizuki, Masaru; Kamio, Chihiro; Yamanishi, Katsunori; Kondo, Mitsuru","Cationic M2L4cages for perchlorate removal from aqueous solutions and preferential perchlorate incorporation in hydrophilic solutions","CrystEngComm","2016","18","26","5004","","10.1039/C6CE00267F","","","0.71075","MoKα","","","0.1463","","","","0.3398","","","","","","1.387","","","","has coordinates","185202","2020-10-21","18:00:00",""
"7227060","15.327","0.003","15.327","0.003","25.887","0.005","90","","90","","90","","6081","2","100","2","100","2","","","","","","","","6","P 4/n c c","-P 4a 2ac","130","","","","- C57 H49 Cl Cu2 N18 O8 -","- C56 H48 Cl Cu2 N18 O6 -","- C224 H192 Cl4 Cu8 N72 O24 -","4","","","Feng, S. S.; Zheng, J. F.; Lu, L. P.; Lu, H. G.; Gao, Z. Q.; Dong, Y. H.","Metal-responsive activation of C‒O and C‒C bonds of an aromatic vicinal diol in hydrothermal conditions: synthesis, structure, mechanism and magnetic properties","CrystEngComm","2016","18","47","9077","","10.1039/C6CE01708H","","","0.72","synchrotron","","0.1662","0.1543","","","0.3389","0.3501","","","","","","1.678","","","","has coordinates","190096","2020-10-21","18:00:00",""
"7228575","13.7562","0.0004","13.7562","0.0004","19.0303","0.0007","90","","90","","90","","3601.2","0.2","100","2","100","2","","","","","","","","6","P 4/n c c","-P 4a 2ac","130","","","","- C33 H14 B Cl2 Cs F24 -","- C33 H14 B Cl2 Cs F24 -","- C132 H56 B4 Cl8 Cs4 F96 -","4","","","Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton","Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts","RSC Adv.","2017","7","52","32833","","10.1039/C7RA05928K","","","0.71073","MoKα","","0.0519","0.0381","","","0.0936","0.1016","","","","","","1.067","","","","has coordinates,has disorder","198199","2020-10-21","18:00:00",""