# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T08:04:07+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 42/n n m :2' 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
"1509667","6.055","","6.055","","6.164","","90","","90","","90","","225.991","","","","","","","","","","","","","3","P 42/n n m :2","-P 4ac 2bc","134","","Li3 Ag2 Si3","","- Ag2 Li3 Si3 -","- Ag2 Li3 Si3 -","- Ag4 Li6 Si6 -","2","0.125","","Bodak, O.I.; Kevorkov, D.G.; Pavlyuk, V.V.","X-ray investigations of the Li - Ag - (Si, Ge) systems at 470 K","Polish Journal of Chemistry","1997","71","","712","715","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509812","6.169","","6.169","","6.213","","90","","90","","90","","236.445","","","","","","","","","","","","","3","P 42/n n m :2","-P 4ac 2bc","134","","Li3 Ag2 Ge3","","- Ag2 Ge3 Li3 -","- Ag2 Ge3 Li3 -","- Ag4 Ge6 Li6 -","2","0.125","","Pavlyuk, V.V.; Kevorkov, D.G.; Bodak, O.I.","X-ray investigations of the Li - Ag - (Si, Ge) systems at 470 K","Polish Journal of Chemistry","1997","71","","712","715","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1555273","11.4331","0.0008","11.4331","0.0008","11.4312","0.0008","90","","90","","90","","1494.24","0.18","200","","200","","","","","","","","","3","P 42/n n m :2","-P 4ac 2bc","134","","","","- C14 H20 O25.5 -","- C14 H19.9996 O25.4992 -","- C28 H39.9992 O50.9984 -","2","0.125","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.086","0.076","","","0.1852","0.2009","","","","","","1.142","","","","has coordinates,has disorder","238432","2020-10-21","18:00:00",""
"1561746","8.9175","0.0003","8.9175","0.0003","5.0364","0.0003","90","","90","","90","","400.5","0.03","293","","293","","","","2800000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.324/50)","Iron Boron (1.324/50)","","- B50 Fe1.324 -","- B50 Fe1.324 -","- B50 Fe1.324 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41441","synchrotron","","0.0424","0.0382","","","0.0951","0.0991","","","","2.08","2.08","2.01","","","","has coordinates","264141","2021-04-14","09:36:40",""
"1561747","8.859","0.0003","8.859","0.0003","5.0042","0.0002","90","","90","","90","","392.74","0.02","293","","293","","","","6600000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.324/50)","Iron Boron (1.324/50)","","- B50 Fe1.324 -","- B50 Fe1.3242 -","- B50 Fe1.3242 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41441","synchrotron","","0.0425","0.0394","","","0.097","0.0991","","","","2.31","2.31","2.24","","","","has coordinates","264142","2021-04-14","09:38:41",""
"1561748","8.8178","0.0002","8.8178","0.0002","4.982","0.0002","90","","90","","90","","387.37","0.02","293","","293","","","","9800000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.324/50)","Iron Boron (1.324/50)","","- B50 Fe1.324 -","- B50 Fe1.3242 -","- B50 Fe1.3242 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41441","synchrotron","","0.0505","0.0482","","","0.1155","0.1168","","","","2.68","2.68","2.58","","","","has coordinates","264143","2021-04-14","09:44:02",""
"1561749","8.7426","0.0002","8.7426","0.0002","4.9395","0.0001","90","","90","","90","","377.541","0.014","293","","293","","","","16900000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.324/50)","Iron Boron (1.324/50)","","- B50 Fe1.324 -","- B50 Fe1.3242 -","- B50 Fe1.3242 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41409","synchrotron","","0.0638","0.0602","","","0.1295","0.1301","","","","2.79","2.79","2.64","","","","has coordinates","264144","2021-04-14","09:45:18",""
"1561750","8.6807","0.0003","8.6807","0.0003","4.9043","0.0002","90","","90","","90","","369.56","0.02","293","","293","","","","22100000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.324/50)","Iron Boron (1.324/50)","","- B50 Fe1.324 -","- B50 Fe1.3242 -","- B50 Fe1.3242 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41409","synchrotron","","0.0633","0.0595","","","0.1282","0.1295","","","","2.82","2.82","2.65","","","","has coordinates","264145","2021-04-14","09:47:22",""
"1561751","8.6397","0.0003","8.6397","0.0003","4.88","0.0003","90","","90","","90","","364.26","0.03","293","","293","","","","27500000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.324/50)","Iron Boron (1.324/50)","","- B50 Fe1.324 -","- B50 Fe1.3242 -","- B50 Fe1.3242 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41409","synchrotron","","0.1017","0.09","","","0.1773","0.1819","","","","2.79","2.79","2.53","","","","has coordinates","264146","2021-04-14","09:49:02",""
"1561752","8.5287","0.0004","8.5287","0.0004","4.8182","0.0003","90","","90","","90","","350.47","0.03","293","","293","","","","34100000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.324/50)","Iron Boron (1.324/50)","","- B50 Fe1.324 -","- B50 Fe1.3242 -","- B50 Fe1.3242 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41409","synchrotron","","0.074","0.0636","","","0.1337","0.1374","","","","2.46","2.46","2.29","","","","has coordinates","264147","2021-04-14","09:50:34",""
"1561753","8.5081","0.001","8.5081","0.001","4.8099","0.0008","90","","90","","90","","348.18","0.08","293","","293","","","","40900000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.324/50)","Iron Boron (1.324/50)","","- B50 Fe1.324 -","- B50 Fe1.3242 -","- B50 Fe1.3242 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41409","synchrotron","","0.0915","0.0756","","","0.1542","0.1607","","","","2.4","2.4","2.19","","","","has coordinates","264148","2021-04-14","09:52:40",""
"1561754","8.4398","0.0008","8.4398","0.0008","4.775","0.0005","90","","90","","90","","340.12","0.06","293","","293","","","","47600000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.324/50)","Iron Boron (1.324/50)","","- B50 Fe1.324 -","- B50 Fe1.3242 -","- B50 Fe1.3242 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41409","synchrotron","","0.0954","0.0768","","","0.1576","0.1682","","","","2.37","2.37","2.21","","","","has coordinates","264149","2021-04-14","09:54:13",""
"1561755","8.9731","0.0003","8.9731","0.0003","5.0587","0.0003","90","","90","","90","","407.31","0.03","296","2","296","2","","","","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.04/50)","Iron Boron (1.04/50)","","- B50 Fe1.04 -","- B50 Fe1.038 -","- B50 Fe1.038 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.71073","MoKα","","0.0617","0.0448","","","0.1076","0.1151","","","","","","1.154","","","","has coordinates","264150","2021-04-14","09:55:42",""
"1561767","8.9324","0.0003","8.9324","0.0003","5.0278","0.0003","90","","90","","90","","401.16","0.03","293","","293","","","","2800000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.01/50)","Iron Boron (1.01/50)","","- B50 Fe1.01 -","- B50 Fe1.01 -","- B50 Fe1.01 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41441","synchrotron","","0.0626","0.0544","","","0.126","0.1336","","","","2.55","2.55","2.46","","","","has coordinates","264162","2021-04-14","10:15:57",""
"1561768","8.8731","0.0002","8.8731","0.0002","4.997","0.0002","90","","90","","90","","393.42","0.02","293","","293","","","","6600000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.01/50)","Iron Boron (1.01/50)","","- B50 Fe1.01 -","- B50 Fe1.0098 -","- B50 Fe1.0098 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41441","synchrotron","","0.0581","0.0532","","","0.1188","0.1224","","","","2.62","2.62","2.55","","","","has coordinates","264163","2021-04-14","10:17:31",""
"1561769","8.8236","0.0002","8.8236","0.0002","4.971","0.0001","90","","90","","90","","387.022","0.015","293","","293","","","","9700000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.01/50)","Iron Boron (1.01/50)","","- B50 Fe1.01 -","- B50 Fe1.0098 -","- B50 Fe1.0098 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41441","synchrotron","","0.0549","0.0511","","","0.1185","0.1213","","","","2.6","2.6","2.51","","","","has coordinates","264164","2021-04-14","10:18:47",""
"1561770","8.7745","0.0002","8.7745","0.0002","4.9438","0.0002","90","","90","","90","","380.63","0.02","293","","293","","","","13500000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.01/50)","Iron Boron (1.01/50)","","- B50 Fe1.01 -","- B50 Fe1.0098 -","- B50 Fe1.0098 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41441","synchrotron","","0.0537","0.0496","","","0.1179","0.1208","","","","2.6","2.6","2.47","","","","has coordinates","264165","2021-04-14","10:20:09",""
"1561771","8.7347","0.0001","8.7347","0.0001","4.9257","0.0001","90","","90","","90","","375.806","0.01","293","","293","","","","16800000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.01/50)","Iron Boron (1.01/50)","","- B50 Fe1.01 -","- B50 Fe1.0098 -","- B50 Fe1.0098 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41409","synchrotron","","0.0518","0.0476","","","0.1133","0.1165","","","","2.55","2.55","2.47","","","","has coordinates","264166","2021-04-14","10:21:57",""
"1561772","8.6077","0.0005","8.6077","0.0005","4.8556","0.0003","90","","90","","90","","359.76","0.04","293","","293","","","","27600000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.01/50)","Iron Boron (1.01/50)","","- B50 Fe1.01 -","- B50 Fe1.0098 -","- B50 Fe1.0098 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41409","synchrotron","","0.0844","0.076","","","0.1527","0.1561","","","","2.72","2.72","2.5","","","","has coordinates","264167","2021-04-14","10:23:21",""
"1561773","8.5446","0.0003","8.5446","0.0003","4.8209","0.0003","90","","90","","90","","351.97","0.03","293","","293","","","","34200000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.01/50)","Iron Boron (1.01/50)","","- B50 Fe1.01 -","- B50 Fe1.0098 -","- B50 Fe1.0098 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41409","synchrotron","","0.0823","0.0764","","","0.1457","0.1492","","","","2.76","2.76","2.64","","","","has coordinates","264168","2021-04-14","10:24:31",""
"1561774","8.4765","0.0005","8.4765","0.0005","4.7855","0.0004","90","","90","","90","","343.84","0.04","293","","293","","","","40700000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.01/50)","Iron Boron (1.01/50)","","- B50 Fe1.01 -","- B50 Fe1.0098 -","- B50 Fe1.0098 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41409","synchrotron","","0.0841","0.0719","","","0.1389","0.1416","","","","2.27","2.27","2.11","","","","has coordinates","264169","2021-04-14","10:25:37",""
"1561775","8.4155","0.0006","8.4155","0.0006","4.7516","0.0005","90","","90","","90","","336.51","0.05","293","","293","","","","47300000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.01/50)","Iron Boron (1.01/50)","","- B50 Fe1.01 -","- B50 Fe1.0098 -","- B50 Fe1.0098 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41409","synchrotron","","0.0888","0.0793","","","0.157","0.1595","","","","2.7","2.7","2.49","","","","has coordinates","264170","2021-04-14","10:26:35",""
"1570667","2.54838","","2.54838","","3.73553","","90","","90","","90","","24.259","","","","","","","","","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","","","","- C3 O -","- C3 O -","- C12 O4 -","4","0.25","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570668","2.77588","","2.77588","","2.77623","","90","","90","","90","","21.392","","","","","","","","","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","","","","- C3 O -","- C3 O -","- C12 O4 -","4","0.25","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"4313741","14.995","0.0007","14.995","0.0007","18.4077","0.0012","90","","90","","90","","4139","0.4","293","2","293","2","","","","","","","","6","P 42/n n m :2","-P 4ac 2bc","134","","","","- C2.91 H8.91 Ge0.73 N1.45 O4.64 V1.27 -","- C2.90909 H8.72727 Ge0.727273 N1.45455 O4.63636 V1.27273 -","- C64 H192 Ge16 N32 O102 V28 -","22","1.375","","T. Whitfield; X. Wang; A. J. Jacobson","Vanadogermanate Cluster Anions","Inorganic Chemistry","2003","42","","3728","3733","10.1021/ic0206185","","","0.71073","MoKα","","0.0911","0.0493","","","0.1339","0.1504","","","","","","1.021","","","","has coordinates","179202","2020-10-21","18:00:00",""
"4315377","14.7651","0.0003","14.7651","0.0003","8.8902","0.0003","90","","90","","90","","1938.14","0.09","291","2","291","2","","","","","","","","5","P 42/n n m :2","-P 4ac 2bc","134","","","","- C28 H36 N8 Ni4 O26 -","- C28 H32 N8 Ni4 O26 -","- C56 H64 N16 Ni8 O52 -","2","0.125","","Fuwei Zhang; Zifeng Li; Tiezhu Ge; Hongchang Yao; Gang Li; Huijie Lu; Yanyan Zhu","Four Novel Frameworks Built by Imidazole-Based Dicarboxylate Ligands: Hydro(Solvo)thermal Synthesis, Crystal Structures, and Properties","Inorganic Chemistry","2010","49","","3776","3788","10.1021/ic902483m","","","0.71073","MoKα","","0.0574","0.0571","","","0.1848","0.1853","","","","","","1.054","","","","has coordinates","179233","2020-10-21","18:00:00",""
"4324590","11.97056","0.00014","11.97056","0.00014","17.8224","0.0003","90","","90","","90","","2553.85","0.06","290","2","290","2","","","","","","","","8","P 42/n n m :2","-P 4ac 2bc","134","","","","- C10 H12 Au K2 N10 O6 Pt2 Tb -","- C10 H12 Au K2 N10 O6 Pt2 Tb -","- C40 H48 Au4 K8 N40 O24 Pt8 Tb4 -","4","0.25","","LeAnn Ladner; Tu Ngo; Carlos Crawford; Zerihun Assefa; Richard E. Sykora","Solid-State Photoluminescence Sensitization of Tb3+ by Novel Au2Pt2 and Au2Pt4 Cyanide Clusters","Inorganic Chemistry","2011","50","","2199","2206","10.1021/ic101836a","","","0.71073","MoKα","","0.0251","0.0185","","","0.0428","0.0438","","","","","","1.043","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4329594","17.2089","0.0012","17.2089","0.0012","28.523","0.004","90","","90","","90","","8447","1.4","291","2","293","2","","","","","","","","4","P 42/n n m :2","-P 4ac 2bc","134","","","","- C18 H10 O10 Zn2 -","- C18 H6 O10 Zn2 -","- C144 H48 O80 Zn16 -","8","0.5","","Yun-Xia Hu; Hai-Bo Ma; Bo Zheng; Wen-Wei Zhang; Shengchang Xiang; Lu Zhai; Li-Feng Wang; Banglin Chen; Xiao-Ming Ren; Junfeng Bai","Three Novel Isomeric Zinc Metal-Organic Frameworks from a Tetracarboxylate Linker","Inorganic Chemistry","2012","51","","7066","7074","10.1021/ic202085j","","","0.71073","MoKα","","0.0653","0.0492","","","0.1292","0.134","","","","","","0.982","","","","has coordinates","179398","2020-10-21","18:00:00",""
"7005277","9.0559","0.0003","9.0559","0.0003","15.78","0.0013","90","","90","","90","","1294.11","0.12","100","2","100","2","","","","","","","","4","P 42/n n m :2","-P 4ac 2bc","134","catena-bis(mu4-5-(pyrimidil)tetrazolate)-cadmium(ii)","catena-bis(mu4-5-(pyrimidil)tetrazolate)-cadmium(ii)","","- C10 H6 Cd N12 -","- C10 H6 Cd N12 -","- C40 H24 Cd4 N48 -","4","0.25","","Rodríguez-Diéguez, A; Salinas-Castillo, A; Galli, S.; Masciocchi, N.; M Gutiérrez-Zorrilla, J; Vitoria, P.; Colacio, E.","Synthesis, X-ray structures and luminescence properties of three multidimensional metal-organic frameworks incorporating the versatile 5-(pyrimidyl)tetrazolato bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2007","","18","1821","1828","10.1039/b618981d","","","0.71073","MoKα","","0.0225","0.0202","","","0.0561","0.0585","","","","","","1.169","","","","has coordinates","179756","2020-10-21","18:00:00",""
"7017391","17.7258","0.0012","17.7258","0.0012","12.3159","0.0014","90","","90","","90","","3869.7","0.6","150","2","150","2","","","","","","","","6","P 42/n n m :2","-P 4ac 2bc","134","","","","- C116 H40 Cl8 Co4 N16 O4 -","- C56 H32 Cl8 Co4 N16 -","- C112 H64 Cl16 Co8 N32 -","2","0.125","","Li, Feng; Clegg, Jack K.; D'Alessandro, Deanna M; Goux-Capes, Laurence; Sciortino, Natasha F.; Keene, Tony D.; Kepert, Cameron J.","Self-assembled Co(ii) molecular squares incorporating the bridging ligand 4,7-phenanthrolino-5,6:5',6'-pyrazine.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12388","12393","10.1039/c1dt11254f","","","0.71073","MoKα","","0.0925","0.0776","","","0.2181","0.2292","","","","","","1.096","","","","has coordinates","192777","2020-10-21","18:00:00",""
"7020376","19.069","0.004","19.069","","24.44","0.005","90","","90","","90","","8887","3","293","2","293","2","","","","","","","","7","P 42/n n m :2","-P 4ac 2bc","134","Compound X","","","- C96 H104 Cl Co4 F42 N48 P7 -","- C96 H104 Cl Co4 F42 N48 P7 -","- C192 H208 Cl2 Co8 F84 N96 P14 -","2","0.125","","Stefankiewicz, Artur R.; Rogez, Guillaume; Harrowfield, Jack; Sobolev, Alexandre N.; Madalan, Augustin; Huuskonen, Juhani; Rissanen, Kari; Lehn, Jean-Marie","Self-ordering of metallogrid complexes via directed hydrogen-bonding.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13848","13855","10.1039/c2dt31384g","","","0.71073","MoKα","","0.1792","0.1242","","","0.2589","0.2835","","","","","","1.003","","","","has coordinates,has disorder","179907","2020-10-21","18:00:00",""
"7030020","10.4576","0.001","10.4576","0.001","16.6823","0.0017","90","","90","","90","","1824.4","0.3","150","","150","","","","","","","","","6","P 42/n n m :2","-P 4ac 2bc","134","","","","- C26 H24 B2 F8 Fe N20 -","- C26 H24 B2 F8 Fe N20 -","- C52 H48 B4 F16 Fe2 N40 -","2","0.125","","Benson, Christopher R.; Hui, Alice K.; Parimal, Kumar; Cook, Brian J.; Chen, Chun-Hsing; Lord, Richard L.; Flood, Amar H.; Caulton, Kenneth G.","Multiplying the electron storage capacity of a bis-tetrazine pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6513","6524","10.1039/c4dt00341a","","","0.71073","MoKα","","0.1253","0.1142","","0.4223","0.3845","0.4223","","","","","","0.9965","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7111170","17.663","0.003","17.663","0.003","12.171","0.003","90","","90","","90","","3797.1","1.3","110","2","110","2","","","","","","","","6","P 42/n n m :2","-P 4ac 2bc","134","","","","- C48 H78 Cl8 Co4 N24 O27 -","- C48 H24 Cl8 Co4 N24 O28.08 -","- C96 H48 Cl16 Co8 N48 O56.16 -","2","0.125","","Galán-Mascarós, José R.; Dunbar, Kim R.","A microporous framework from a magnetic molecular square: [Co(HAT)Cl2]4 (HAT = 1,4,5,8,9,11-hexaazatriphenylene)","Chemical Communications","2001","","2","217","","10.1039/b008209k","","","0.71069","MoKα","","0.2417","0.0824","","","0.2057","0.4082","","","","","","1.067","","","","has coordinates","180225","2020-10-21","18:00:00",""
"7114257","34.312","0.004","34.312","0.004","29.063","0.004","90","","90","","90","","34216","7","193","2","193","2","","","","","","","","5","P 42/n n m :2","-P 4ac 2bc","134","","","","- C192 H168 N36 O36 Pd6 -","- C365 H168 N24 O9 Pd6 -","- C1460 H672 N96 O36 Pd24 -","4","0.25","","Chand, Dillip Kumar; Biradha, Kumar; Fujita, Makoto; Sakamoto, Shigeru; Yamaguchi, Kentaro","A molecular sphere of octahedral symmetryElectronic supplementary information (ESI) available: crystallography section; Figs. S1???S8: 1H NMR spectrum for 1. 1H, H???H COSY, NOESY, C???H COSY, 13C, DEPT NMR and CSI???MS spectra for 2. See http://www.rsc.org/suppdata/cc/b2/b206625b/","Chemical Communications","2002","","21","2486","","10.1039/b206625b","","","0.71073","MoKα","","0.2748","0.1203","","","0.28","0.3134","","","","","","1.397","","","","has coordinates","180256","2020-10-21","18:00:00",""
"7116274","17.7349","0.0006","17.7349","0.0006","28.1732","0.001","90","","90","","90","","8861.2","0.5","100","2","100","2","","","","","","","","5","P 42/n n m :2","-P 4ac 2bc","134","","","","- C19 H9 N2 O10 Zn2 -","- C19 H9 N2 O10 Zn2 -","- C152 H72 N16 O80 Zn16 -","8","0.5","","Sen, Susan; Neogi, Subhadip; Rissanen, Kari; Bharadwaj, Parimal K.","Solvent induced single-crystal to single-crystal structural transformation and concomitant transmetalation in a 3D cationic Zn(ii)-framework.","Chemical communications (Cambridge, England)","2015","51","15","3173","3176","10.1039/c4cc09955a","","","0.71073","MoKα","","0.1149","0.0703","","","0.186","0.2089","","","","","","1.093","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7116277","17.7179","0.0007","17.7179","0.0007","27.5566","0.0013","90","","90","","90","","8650.7","0.6","100","2","100","2","","","","","","","","5","P 42/n n m :2","-P 4ac 2bc","134","","","","- C19 H9 Cu2 N2 O10 -","- C19 H9 Cu2 N2 O10 -","- C152 H72 Cu16 N16 O80 -","8","0.5","","Sen, Susan; Neogi, Subhadip; Rissanen, Kari; Bharadwaj, Parimal K.","Solvent induced single-crystal to single-crystal structural transformation and concomitant transmetalation in a 3D cationic Zn(ii)-framework.","Chemical communications (Cambridge, England)","2015","51","15","3173","3176","10.1039/c4cc09955a","","","0.71073","MoKα","","0.1075","0.0778","","","0.2123","0.2355","","","","","","1.102","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7701606","10.8365","0.0015","10.8365","0.0015","13.642","0.003","90","","90","","90","","1602","0.5","293","2","293","2","","","","","","","","5","P 42/n n m :2","-P 4ac 2bc","134","","","","- C11 H18 Cu2 N2 O8 -","- C11 H18 Cu2 N2 O8 -","- C44 H72 Cu8 N8 O32 -","4","0.25","","Bhaskaran, ?; Trivedi, Manoj; Yadav, Anita K.; Singh, Gurmeet; Kumar, Abhinav; Kumar, Girijesh; Husain, Ahmad; Rath, Nigam P.","Synthetic, spectral, structural and catalytic activity of infinite 3-D and 2-D copper(ii) coordination polymers for substrate size-dependent catalysis for CO<sub>2</sub> conversion.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10078","10088","10.1039/c9dt01457h","","","0.71073","MoKα","","0.0841","0.0687","","","0.1721","0.1788","","","","","","1.234","","","","has coordinates","223318","2020-10-21","18:00:00",""
"9002377","12.627","","12.627","","12.595","","90","","90","","90","","2008.16","","","","","","","","","","","","Langban mines, Filipstad district, Varmland, Sweden","8","P 42/n n m :2","-P 4ac 2bc","134","","","Philolithite","- C4 H12 Cl4 Mg2.36 Mn4.64 O34 Pb12 S -","- C4 H12 Cl4 Mg2.36 Mn4.64 O34 Pb12 S -","- C8 H24 Cl8 Mg4.72 Mn9.28 O68 Pb24 S2 -","2","0.125","","Moore, P. B.; Kampf, A. R.; Sen Gupta, P. K.","The crystal structure of philolithite, a trellis-like open framework based on cubic closest-packing of anions","American Mineralogist","2000","85","","810","816","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9009750","7.586","","7.586","","8.103","","90","","90","","90","","466.307","","","","","","","","","","","","","4","P 42/n n m :2","-P 4ac 2bc","134","","","Mushistonite","- Cu H6 O6 Sn -","- Cu H6 O6 Sn -","- Cu4 H24 O24 Sn4 -","4","0.25","","Morgenstern-Badarau I","Effet Jahn-Teller et structure cristalline de l'hydroxyde CuSn(OH)6","Journal of Solid State Chemistry","1976","17","","399","406","10.1016/S0022-4596(76)80010-2","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""