# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-08-06T03:52:44+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 42/n c m' 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
"1515963","15.55503","0.00099","15.55503","0.00099","20.0304","0.0016","90","","90","","90","","4846.5","0.6","298","2","298","2","","","","","","","synthesis","5","P 42/n c m","-P 4ac 2ac","138","","","","- C34 H38 N12 O6 Zn3 -","- C27 H17 N12 Zn3 -","- C108 H68 N48 Zn12 -","4","","","Colombo, Valentina; Galli, Simona; Choi, Hye Jin; Han, Ggoch Ddeul; Maspero, Angelo; Palmisano, Giovanni; Masciocchi, Norberto; Long, Jeffrey R.","High thermal and chemical stability in pyrazolate-bridged metal‒organic frameworks with exposed metal sites","Chemical Science","2011","2","7","1311","","10.1039/c1sc00136a","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515964","15.4625","0.0013","15.4625","0.0013","20.0474","0.0022","90","","90","","90","","4793.1","0.8","298","2","298","2","","","","","","","synthesis","5","P 42/n c m","-P 4ac 2ac","138","","","","- C38 H70 Co3 N12 O18 -","- C27 H17 Co3 N12 -","- C108 H68 Co12 N48 -","4","","","Colombo, Valentina; Galli, Simona; Choi, Hye Jin; Han, Ggoch Ddeul; Maspero, Angelo; Palmisano, Giovanni; Masciocchi, Norberto; Long, Jeffrey R.","High thermal and chemical stability in pyrazolate-bridged metal‒organic frameworks with exposed metal sites","Chemical Science","2011","2","7","1311","","10.1039/c1sc00136a","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1550207","8.9353","0.0002","8.9353","0.0002","24.9636","0.0013","90","","90","","90","","1993.08","0.12","293","2","293","2","","","","","","","","5","P 42/n c m","-P 4ac 2ac","138","","","","- C8 H26 I4 N2 Pb -","- C8 H26 I4 N2 Pb -","- C32 H104 I16 N8 Pb4 -","4","","","Li, Tianyang; Dunlap-Shohl, Wiley; Reinheimer, Eric W.; LeMagueres, Pierre; Mitzi, David B.","Melting Temperature Suppression of Layered Hybrid Lead Halide Perovskites via Organic Ammonium Cation Branching","Chemical Science","2019","","","","","10.1039/C8SC03863E","","","0.71073","MoKα","","0.0627","0.0609","","","0.2229","0.2263","","","","","","1.145","","","","has coordinates,has disorder","211871","2020-10-21","18:00:00",""
"4125955","34.9195","0.0003","34.9195","0.0003","12.0592","0.0001","90","","90","","90","","14704.6","0.2","173","2","173","2","","","","","","","","5","P 42/n c m","-P 4ac 2ac","138","LIFM-28np","","","- C64 H24 F24 O32 Zr6 -","- C64 H24 F24 O32 Zr6 -","- C256 H96 F96 O128 Zr24 -","4","","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54184","CuKα","","0.0922","0.0883","","","0.2443","0.2476","","","","","","1.083","","","","has coordinates,has disorder","195588","2020-10-21","18:00:00",""
"4514214","34.15","0.03","34.153","","14.656","0.011","90","","90","","90","","17094","2","110","2","110","2","","","","","","","","5","P 42/n c m","-P 4ac 2ac","138","","","","- C78 H56 N2 O34 Zr6 -","- C78 H56 N2 O34 Zr6 -","- C312 H224 N8 O136 Zr24 -","4","","","Qin, Jun-Sheng; Yuan, Shuai; Alsalme, Ali; Zhou, Hong-Cai","Flexible Zirconium MOF as the Crystalline Sponge for Coordinative Alignment of Dicarboxylates.","ACS applied materials & interfaces","2017","9","39","33408","33412","10.1021/acsami.6b16264","","","0.71073","MoKα","","0.1771","0.0843","","","0.2187","0.2455","","","","","","0.959","","","","has coordinates","202640","2020-10-21","18:00:00",""
"7038311","19.00307","0.00017","19.00307","0.00017","12.04528","0.00015","90","","90","","90","","4349.75","0.08","293","","293","","","","","","","","","6","P 42/n c m","-P 4ac 2ac","138","","","","- C28 H40 Bi2 Cl6 N9 S4 -","- C28 H40 Bi2 Cl6 N9 S4 -","- C112 H160 Bi8 Cl24 N36 S16 -","4","","","Katam, Srinivas; Arruri, Sathyanarayana; Chatla, Naga Babu; Ganesan, Prabusankar","Bismuth(III)dichalcogenones as Highly Active Catalysts in Multiple C-C Bond Formation Reactions","Dalton Trans.","2016","","","","","10.1039/C5DT04738B","","x-ray","1.54184","CuKα","","0.0437","0.0347","","","0.0897","0.0973","","","","","","1.0142","","","","has coordinates","176280","2020-10-21","18:00:00",""
"7038312","19.2248","0.0003","19.2248","0.0003","12.2798","0.0003","90","","90","","90","","4538.53","0.15","293","","293","","","","","","","","","6","P 42/n c m","-P 4ac 2ac","138","","","","- C28 H40 Bi2 Br6 N9 S4 -","- C28 H40 Bi2 Br6 N9 S4 -","- C112 H160 Bi8 Br24 N36 S16 -","4","","","Katam, Srinivas; Arruri, Sathyanarayana; Chatla, Naga Babu; Ganesan, Prabusankar","Bismuth(III)dichalcogenones as Highly Active Catalysts in Multiple C-C Bond Formation Reactions","Dalton Trans.","2016","","","","","10.1039/C5DT04738B","","x-ray","1.54184","CuKα","","0.0516","0.0432","","","0.1234","0.1351","","","","","","1.0152","","","","has coordinates","176280","2020-10-21","18:00:00",""
"7038313","19.04444","0.00018","19.04444","0.00018","12.15557","0.00019","90","","90","","90","","4408.71","0.09","293","","293","","","","","","","","","6","P 42/n c m","-P 4ac 2ac","138","","","","- C28 H40 Bi2 Cl6 N9 Se4 -","- C28 H40 Bi2 Cl6 N9 Se4 -","- C112 H160 Bi8 Cl24 N36 Se16 -","4","","","Katam, Srinivas; Arruri, Sathyanarayana; Chatla, Naga Babu; Ganesan, Prabusankar","Bismuth(III)dichalcogenones as Highly Active Catalysts in Multiple C-C Bond Formation Reactions","Dalton Trans.","2016","","","","","10.1039/C5DT04738B","","x-ray","1.54184","CuKα","","0.0336","0.0297","","","0.0761","0.0795","","","","","","1.0133","","","","has coordinates","176280","2020-10-21","18:00:00",""
"7038314","19.2323","0.0002","19.2323","0.0002","12.41","0.0002","90","","90","","90","","4590.23","0.1","293","","293","","","","","","","","","6","P 42/n c m","-P 4ac 2ac","138","","","","- C28 H40 Bi2 Br6 N9 Se4 -","- C28 H40 Bi2 Br6 N9 Se4 -","- C112 H160 Bi8 Br24 N36 Se16 -","4","","","Katam, Srinivas; Arruri, Sathyanarayana; Chatla, Naga Babu; Ganesan, Prabusankar","Bismuth(III)dichalcogenones as Highly Active Catalysts in Multiple C-C Bond Formation Reactions","Dalton Trans.","2016","","","","","10.1039/C5DT04738B","","x-ray","1.54184","CuKα","","0.0342","0.0288","","","0.0707","0.0746","","","","","","0.9943","","","","has coordinates","176280","2020-10-21","18:00:00",""
"7044940","12.5808","0.0003","12.5808","0.0003","12.9625","0.0003","90","","90","","90","","2051.66","0.08","147","2","147","2","","","","","","","","5","P 42/n c m","-P 4ac 2ac","138","","","","- C14 H8 In N2 O8 -","- C14 H8 In N2 O8 -","- C56 H32 In4 N8 O32 -","4","","","Atallah, Hala; mahmoud, Mahmoud; Jelle, Abdinoor; Lough, Alan; Hmadeh, Mohamad","Highly Stable Indium Based Metal Organic Framework for Efficient Arsenic Removal from Water","Dalton Transactions","2017","","","","","10.1039/C7DT03705H","","","1.54178","CuKα","","0.0685","0.0477","","","0.1186","0.132","","","","","","1.157","","","","has coordinates,has disorder","203961","2020-10-21","18:00:00",""
"7115564","16.8655","0.0008","16.8655","0.0008","19.6001","0.001","90","","90","","90","","5575.2","0.5","100","2","100","2","","","","","","","","2","P 42/n c m","-P 4ac 2ac","138","C70 bis-anthracene adduct","","","- C98 H20 -","- C98 H20 -","- C392 H80 -","4","","","Venkata S. Pavan K. Neti; Maira R. Ceron; A. Duarte-Ruiz; Marilyn M. Olmstead; Alan L. Balch; Luis Echegoyen","High-yield, regiospecific bis-functionalization of C70 using a Diels-Alder reaction in molten anthracene","Chem.Commun.","2014","50","","10584","","10.1039/C4cc02472A","","","0.7749","synchrotron","","0.063","0.057","","","0.1481","0.1529","","","","","","1.14","","","","has coordinates","180269","2020-10-21","18:00:00",""