# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-14T13:55:58+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P b a n' 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
"1516567","16.2647","0.0005","14.5206","0.0005","9.6475","0.0003","90","","90","","90","","2278.48","0.13","270","","270","","","","","","","","","5","P b a n","-P 2ab 2b","50","NO2-DMOF","","","- C22 H18 N4 O12 Zn2 -","- C22 H16 N4 O12 Zn2 -","- C44 H32 N8 O24 Zn4 -","2","","","Henke, Sebastian; Li, Wei; Cheetham, Anthony K.","Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study","Chemical Science","2014","5","6","2392","","10.1039/c4sc00497c","","","1.5418","CuKα","","0.0704","0.0627","","","0.2025","0.2116","","","","","","1.16","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516573","16.3684","0.0004","14.4237","0.0003","9.6406","0.0002","90","","90","","90","","2276.08","0.09","270","2","270.15","","","","","","","","","6","P b a n","-P 2ab 2b","50","Br-DMOF","","","- C22 H18 Br2 N2 O8 Zn2 -","- C22 H18 Br2 N2 O8 Zn2 -","- C44 H36 Br4 N4 O16 Zn4 -","2","","","Henke, Sebastian; Li, Wei; Cheetham, Anthony K.","Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study","Chemical Science","2014","5","6","2392","","10.1039/c4sc00497c","","","1.5418","CuKα","","0.0594","0.0554","","","0.1571","0.1612","","","","","","1.123","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"4338259","15.7237","0.0004","35.9821","0.0007","18.9825","0.0007","90","","90","","90","","10739.8","0.5","100","2","100","2","","","","","","","","5","P b a n","-P 2ab 2b","50","","","","- C55 H40 Fe N6 Se2 -","- C55 H40 Fe N6 Se2 -","- C220 H160 Fe4 N24 Se8 -","4","","","Chen, Xiang-Yi; Huang, Rong-Bin; Zheng, Lan-Sun; Tao, Jun","Co-ligand and Solvent Effects on the Spin-Crossover Behaviors of PtS-type Porous Coordination Polymers.","Inorganic chemistry","2014","53","10","5246","5252","10.1021/ic500463m","","","1.54184","CuKα","","0.2059","0.1086","","","0.2496","0.2922","","","","","","0.995","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338261","17.5637","0.0011","35.4521","0.0017","20.845","0.0017","90","","90","","90","","12979.6","1.5","220","2","220","2","","","","","","","","5","P b a n","-P 2ab 2b","50","","","","- C55 H40 Fe N6 Se2 -","- C55 H40 Fe N6 Se2 -","- C220 H160 Fe4 N24 Se8 -","4","","","Chen, Xiang-Yi; Huang, Rong-Bin; Zheng, Lan-Sun; Tao, Jun","Co-ligand and Solvent Effects on the Spin-Crossover Behaviors of PtS-type Porous Coordination Polymers.","Inorganic chemistry","2014","53","10","5246","5252","10.1021/ic500463m","","","1.54184","CuKα","","0.2018","0.1089","","","0.2503","0.2877","","","","","","0.998","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338262","15.7537","0.0005","36.0206","0.0008","18.9925","0.0006","90","","90","","90","","10777.4","0.5","110","2","110","2","","","","","","","","5","P b a n","-P 2ab 2b","50","","","","- C55 H46 B2 Fe N6 -","- C55 H40 B2 Fe N6 -","- C220 H160 B8 Fe4 N24 -","4","","","Chen, Xiang-Yi; Huang, Rong-Bin; Zheng, Lan-Sun; Tao, Jun","Co-ligand and Solvent Effects on the Spin-Crossover Behaviors of PtS-type Porous Coordination Polymers.","Inorganic chemistry","2014","53","10","5246","5252","10.1021/ic500463m","","","1.54184","CuKα","","0.2031","0.1036","","","0.2435","0.2887","","","","","","0.985","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338264","17.5817","0.001","35.4511","0.0013","20.853","0.0014","90","","90","","90","","12997.5","1.2","220","2","220","2","","","","","","","","5","P b a n","-P 2ab 2b","50","","","","- C55 H46 B2 Fe N6 -","- C55 H40 B2 Fe N6 -","- C220 H160 B8 Fe4 N24 -","4","","","Chen, Xiang-Yi; Huang, Rong-Bin; Zheng, Lan-Sun; Tao, Jun","Co-ligand and Solvent Effects on the Spin-Crossover Behaviors of PtS-type Porous Coordination Polymers.","Inorganic chemistry","2014","53","10","5246","5252","10.1021/ic500463m","","","1.54184","CuKα","","0.2019","0.1088","","","0.2501","0.2867","","","","","","0.975","","","","has coordinates","179485","2020-10-21","18:00:00",""
"7037411","28.363","","17.009","","15.655","","90","","90","","90","","7552.38","","173","2","173","2","","","","","","","","5","P b a n","-P 2ab 2b","50","","","","- C50 H40 N6 O11 Tb -","- C50 H40 N6 O11 Tb -","- C200 H160 N24 O44 Tb4 -","4","","","Zhu, Yi-Xuan; Wei, Zhang-Wen; Pan, Mei; Wang, Hai-Ping; Zhang, Jian-Yong; Su, Cheng-Yong","A new TPE-based tetrapodal ligand and its Ln(iii) complexes: multi-stimuli responsive AIE (aggregation-induced emission)/ILCT(intraligand charge transfer)-bifunctional photoluminescence and NIR emission sensitization.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","943","950","10.1039/c5dt03640b","","","1.54184","CuKα","","0.1388","0.0831","","","0.2204","0.2464","","","","","","0.946","","","","has coordinates,has disorder","176049","2020-10-21","18:00:00",""
"7037825","22.394","0.012","16.369","0.008","17.539","0.01","90","","90","","90","","6429","6","100","2","100.15","","","","","","","","","5","P b a n","-P 2ab 2b","50","","Ac20_5","","- C58 H95 N7 O9 P2 -","- C58 H95 N7 O9 P2 -","- C232 H380 N28 O36 P8 -","4","","","Casula, Arianna; Bazzicalupi, Carla; Bettoschi, Alexandre; Cadoni, Enzo; Coles, Simon J.; Horton, Peter N.; Isaia, Francesco; Lippolis, Vito; Mapp, Lucy K.; Marini, Giada M.; Montis, Riccardo; Scorciapino, Mariano Andrea; Caltagirone, Claudia","Fluorescent asymmetric bis-ureas for pyrophosphate recognition in pure water.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","3078","3085","10.1039/c5dt04497a","","x-ray","0.71075","MoKα","","0.1566","0.0839","","","0.2651","0.3026","","","","","","1.043","","","","has coordinates,has disorder","177784","2020-10-21","18:00:00",""
"7110028","17.2737","0.0011","35.4221","0.0017","20.825","0.0017","90","","90","","90","","12742.2","1.5","200","2","200","2","","","","","","","","7","P b a n","-P 2ab 2b","50","","","","- C62 H64 Cl4 Fe N6 O5 S2 -","- C55 H40 Fe N6 S2 -","- C220 H160 Fe4 N24 S8 -","4","","","Xiang-Yi Chen; Hai-Yan Shi; Rong-Bin Huang; Lan-Sun Zheng; Jun Tao","Temperature, light and solvent-induced spin transition in a 3D 2-fold interpenetrated PtS-type porous coordination polymer","Chem.Commun.","2013","49","","10977","","10.1039/c3cc45691a","","","1.54184","CuKα","","0.204","0.111","","","0.2554","0.2977","","","","","","0.975","","","","has coordinates","180214","2020-10-21","18:00:00",""