# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-03T04:20:08+02:00
# 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 'Nature Communications') AND volume = 5 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
"1513791","23.9712","0.0005","10.7966","0.0003","25.4621","0.0005","90","","95.78","0.002","90","","6556.3","0.3","142.9","","142.9","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H66 Cl6 O4 Os P3 S -","- C70 H66 Cl6 O4 Os P3 S -","- C280 H264 Cl24 O16 Os4 P12 S4 -","4","1","","Zhu, Congqing; Luo, Ming; Zhu, Qin; Zhu, Jun; Schleyer, Paul V. R.; Wu, Judy I-Chia; Lu, Xin; Xia, Haiping","Planar Möbius aromatic pentalenes incorporating 16 and 18 valence electron osmiums.","Nature communications","2014","5","","3265","","10.1038/ncomms4265","","","0.71073","MoKα","","0.0439","0.0325","","","0.0668","0.0705","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513792","18.4337","0.0003","19.2879","0.0003","20.2958","0.0004","90","","97.813","0.001","90","","7149.1","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64.5 H57 Al2 Cl12 O3 Os P3 -","- C64.5 H57 Al2 Cl12 O3 Os P3 -","- C258 H228 Al8 Cl48 O12 Os4 P12 -","4","1","","Zhu, Congqing; Luo, Ming; Zhu, Qin; Zhu, Jun; Schleyer, Paul V. R.; Wu, Judy I-Chia; Lu, Xin; Xia, Haiping","Planar Möbius aromatic pentalenes incorporating 16 and 18 valence electron osmiums.","Nature communications","2014","5","","3265","","10.1038/ncomms4265","","","0.71073","MoKα","","0.0585","0.0478","","","0.1448","0.151","","","","","","1.055","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513793","12.6439","0.0002","21.0196","0.0004","21.9093","0.0004","90","","96.0021","0.0007","90","","5790.91","0.18","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H58 Cl3 O5 Os P3 -","- C66 H58 Cl3 O5 Os P3 -","- C264 H232 Cl12 O20 Os4 P12 -","4","1","","Zhu, Congqing; Luo, Ming; Zhu, Qin; Zhu, Jun; Schleyer, Paul V. R.; Wu, Judy I-Chia; Lu, Xin; Xia, Haiping","Planar Möbius aromatic pentalenes incorporating 16 and 18 valence electron osmiums.","Nature communications","2014","5","","3265","","10.1038/ncomms4265","","","0.71073","MoKα","","0.0401","0.0338","","","0.0855","0.0881","","","","","","1.055","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513794","11.6307","0.0005","12.5277","0.0005","33.4761","0.0014","90","","90","","90","","4877.7","0.4","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H29 F5 Si3 -","- C21 H29 F5 Si3 -","- C168 H232 F40 Si24 -","8","1","","Inagaki, Yusuke; Nakamoto, Masaaki; Sekiguchi, Akira","A Diels-Alder super diene breaking benzene into C2H2 and C4H4 units.","Nature communications","2014","5","","3018","","10.1038/ncomms4018","","","0.71073","MoKα","","0.0495","0.0426","","","0.119","0.1254","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513795","11.6585","0.0007","12.5084","0.0007","33.328","0.002","90","","90","","90","","4860.2","0.5","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H31 F5 Si3 -","- C21 H31 F5 Si3 -","- C168 H248 F40 Si24 -","8","1","","Inagaki, Yusuke; Nakamoto, Masaaki; Sekiguchi, Akira","A Diels-Alder super diene breaking benzene into C2H2 and C4H4 units.","Nature communications","2014","5","","3018","","10.1038/ncomms4018","","","0.71073","MoKα","","0.0373","0.0334","","","0.091","0.0937","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513796","19.1914","0.001","10.6017","0.0005","23.3513","0.0012","90","","90","","90","","4751.1","0.4","120","","120","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H29 F5 Si3 -","- C21 H29 F5 Si3 -","- C168 H232 F40 Si24 -","8","2","","Inagaki, Yusuke; Nakamoto, Masaaki; Sekiguchi, Akira","A Diels-Alder super diene breaking benzene into C2H2 and C4H4 units.","Nature communications","2014","5","","3018","","10.1038/ncomms4018","","","0.71073","MoKα","","0.033","0.0282","","","0.0636","0.0664","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513797","9.6564","0.0003","11.3871","0.0004","12.9349","0.0004","72.1","","81.25","","79.77","","1324.69","0.07","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H33 F5 Si3 -","- C25 H33 F5 Si3 -","- C50 H66 F10 Si6 -","2","1","","Inagaki, Yusuke; Nakamoto, Masaaki; Sekiguchi, Akira","A Diels-Alder super diene breaking benzene into C2H2 and C4H4 units.","Nature communications","2014","5","","3018","","10.1038/ncomms4018","","","0.71073","MoKα","","0.0331","0.0294","","","0.0777","0.0804","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513798","5.6548","0.0014","27.587","0.007","8.526","0.002","90","","95.291","0.005","90","","1324.4","0.6","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H15 N5 O7 -","- C11 H15 N5 O7 -","- C44 H60 N20 O28 -","4","2","","Zhao, Hang; Guo, Xiurong; He, Shiliang; Zeng, Xin; Zhou, Xinglong; Zhang, Chaoliang; Hu, Jing; Wu, Xiaohua; Xing, Zhihua; Chu, Liangyin; He, Yang; Chen, Qianming","Complex self-assembly of pyrimido[4,5-d]pyrimidine nucleoside supramolecular structures.","Nature communications","2014","5","","3108","","10.1038/ncomms4108","","","0.71073","MoKα","","0.0387","0.0344","","","0.0895","0.0921","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513799","4.9116","0.0006","8.8528","0.0014","13.96","0.0017","105.332","0.006","93.529","0.004","91.847","0.003","583.54","0.14","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C11 H13 N5 O5 -","- C11 H13 N5 O5 -","- C22 H26 N10 O10 -","2","2","","Zhao, Hang; Guo, Xiurong; He, Shiliang; Zeng, Xin; Zhou, Xinglong; Zhang, Chaoliang; Hu, Jing; Wu, Xiaohua; Xing, Zhihua; Chu, Liangyin; He, Yang; Chen, Qianming","Complex self-assembly of pyrimido[4,5-d]pyrimidine nucleoside supramolecular structures.","Nature communications","2014","5","","3108","","10.1038/ncomms4108","","","0.71073","MoKα","","0.0732","0.0515","","","0.1172","0.1289","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1547478","14.24","0.007","14.263","0.007","14.821","0.007","90","","90","","90","","3010","3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H18 Fe2 N5 O3 S2 -","- C9 H18 Fe2 N5 O3 S2 -","- C72 H144 Fe16 N40 O24 S16 -","8","1","","Hsieh, Chung-Hung; Ding, Shengda; Erdem, Ozlen F.; Crouthers, Danielle J.; Liu, Tianbiao; McCrory, Charles C. L.; Lubitz, Wolfgang; Popescu, Codrina V.; Reibenspies, Joseph H.; Hall, Michael B.; Darenbourg, Marcetta Y.","Redox active iron nitrosyl units in proton reduction electrocatalysis","Nature Communications","2014","5","","3684","","10.1038/ncomms4684","","","0.71073","MoKα","","0.0405","0.0295","","","0.0671","0.0729","","","","","","1.026","","","","has coordinates","201508","2020-10-21","18:00:00",""
"1548296","10.165","0.006","7.482","0.004","10.278","0.006","90","","110.446","0.009","90","","732.4","0.7","93","2","93","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H24 B2 O4 -","- C12 H24 B2 O4 -","- C24 H48 B4 O8 -","2","0.5","","Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita","Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent","Nature Communications","2014","5","","4245","","10.1038/ncomms5245","","","0.71075","MoKα","","0.0817","0.0551","","","0.1161","0.1299","","","","","","1.086","","","","has coordinates,has disorder","203758","2020-10-21","18:00:00",""
"1548297","9.859","0.004","18.123","0.007","13.451","0.005","90","","110.728","0.005","90","","2247.8","1.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 B2 O2 -","- C24 H34 B2 O2 -","- C96 H136 B8 O8 -","4","1","","Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita","Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent","Nature Communications","2014","5","","4245","","10.1038/ncomms5245","","","0.71075","MoKα","","0.0868","0.061","","","0.1325","0.1545","","","","","","1.088","","","","has coordinates,has disorder","203759","2020-10-21","18:00:00",""
"1548298","15.238","0.005","10.705","0.004","16.004","0.006","90","","107.762","0.005","90","","2486.2","1.5","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 B2 O4 -","- C26 H34 B2 O4 -","- C104 H136 B8 O16 -","4","1","","Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita","Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent","Nature Communications","2014","5","","4245","","10.1038/ncomms5245","","","0.71075","MoKα","","0.0871","0.0648","","","0.145","0.1631","","","","","","1.208","","","","has coordinates","203760","2020-10-21","18:00:00",""
"1548299","9.278","0.003","10.2","0.003","16.057","0.005","71.907","0.012","83.574","0.015","68.113","0.012","1340.3","0.7","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H43 B2 N O2 -","- C29 H43 B2 N O2 -","- C58 H86 B4 N2 O4 -","2","1","","Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita","Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent","Nature Communications","2014","5","","4245","","10.1038/ncomms5245","","","0.71075","MoKα","","0.0976","0.0659","","","0.1219","0.1346","","","","","","1.046","","","","has coordinates","203761","2020-10-21","18:00:00",""
"1548300","12.796","0.004","18.047","0.005","15.325","0.005","90","","110.858","0.004","90","","3307.1","1.8","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H52 B2 N2 O2 -","- C34 H52 B2 N2 O2 -","- C136 H208 B8 N8 O8 -","4","1","","Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita","Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent","Nature Communications","2014","5","","4245","","10.1038/ncomms5245","","","0.71075","MoKα","","0.0899","0.0635","","","0.123","0.1367","","","","","","1.088","","","","has coordinates","203763","2020-10-21","18:00:00",""
"1548301","13.923","0.006","15.76","0.006","15.026","0.005","90","","92.731","0.009","90","","3293","2","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H52 B2 N2 O2 -","- C34 H52 B2 N2 O2 -","- C136 H208 B8 N8 O8 -","4","1","","Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita","Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent","Nature Communications","2014","5","","4245","","10.1038/ncomms5245","","","0.71075","MoKα","","0.1204","0.0743","","","0.1687","0.1986","","","","","","1.035","","","","has coordinates","203764","2020-10-21","18:00:00",""
"1548310","6.9186","0.0002","6.9186","0.0002","7.9061","0.0003","90","","90","","90","","378.44","0.02","298","","298","","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C8 H8 Cu F6 N4 Si -","- C8 H8 Cu F6 N4 Si -","- C8 H8 Cu F6 N4 Si -","1","0.0625","","Shekhah, Osama; Belmabkhout, Youssef; Chen, Zhijie; Guillerm, Vincent; Cairns, Amy; Adil, Karim; Eddaoudi, Mohamed","Made-to-order metal-organic frameworks for trace carbon dioxide removal and air capture","Nature Communications","2014","5","","4228","","10.1038/ncomms5228","powder diffraction","","1.5418","CuKα","","","","","","","","","5.1628","20.7","","","","","","","has coordinates","210525","2020-10-21","18:00:00",""
"1548311","23.7146","0.0012","23.7146","0.0012","19.1834","0.0011","90","","90","","120","","9343","0.9","150","2","150","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C9 H56 K Mo10 N O42 S10 -","- C9 K1.00333 Mo10 N0.996667 O41.6867 S10 -","- C54 K6.02 Mo60 N5.98 O250.12 S60 -","6","0.5","","Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin","Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine","Nature Communications","2014","5","","3715","","10.1038/ncomms4715","","","0.71073","MoKα","","0.0292","0.0247","","","0.071","0.075","","","","","","1.079","","","","has coordinates","203774","2020-10-21","18:00:00",""
"1548312","11.2207","0.0003","22.4613","0.0008","16.9237","0.0006","90","","105.662","0.001","90","","4106.9","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H32 K10 Mo14 O80 S2 -","- C26 K10 Mo14 O80 S2 -","- C52 K20 Mo28 O160 S4 -","2","1","","Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin","Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine","Nature Communications","2014","5","","3715","","10.1038/ncomms4715","","","0.71073","MoKα","","0.0195","0.0191","","","0.0515","0.0517","","","","","","1.034","","","","has coordinates","203775","2020-10-21","18:00:00",""
"1548313","20.8518","0.0005","28.0652","0.0006","32.415","0.0008","90","","104.793","0.001","90","","18340.8","0.7","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C56 H236 K18 Mo60 N4 O261 S36 -","- C55 K15.2 Mo60 N4 O241.7 S36 -","- C110 K30.4 Mo120 N8 O483.4 S72 -","2","0.5","","Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin","Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine","Nature Communications","2014","5","","3715","","10.1038/ncomms4715","","","0.71073","MoKα","","0.0783","0.0507","","","0.1351","0.1562","","","","","","1.056","","","","has coordinates","203776","2020-10-21","18:00:00",""
"1548314","26.0429","0.0007","29.3416","0.0008","47.0393","0.0013","90","","90.04","0.002","90","","35944.6","1.7","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C36 H246 I K11.5 Mo48 N3 Na0.5 O220 S36 -","- C32.5 I K10 Mo48 N3 O218.8 S36 -","- C130 I4 K40 Mo192 N12 O875.2 S144 -","4","1","","Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin","Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine","Nature Communications","2014","5","","3715","","10.1038/ncomms4715","","","0.71073","MoKα","","0.0821","0.0544","","","0.1398","0.1623","","","","","","1.039","","","","has coordinates","203777","2020-10-21","18:00:00",""
"1548315","26.515","0.002","44.264","0.003","17.7362","0.0014","90","","90","","90","","20816","3","150","2","150","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C20 H126 K14 Mo34 O148 S24 -","- C20 K13.6 Mo34 O147.01 S24 -","- C80 K54.4 Mo136 O588.04 S96 -","4","0.5","","Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin","Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine","Nature Communications","2014","5","","3715","","10.1038/ncomms4715","","","0.71073","MoKα","","0.1338","0.1173","","","0.2478","0.2556","","","","","","1.223","","","","has coordinates","203778","2020-10-21","18:00:00",""
"1548316","30.5759","0.0009","17.0735","0.0005","38.4463","0.0012","90","","113.034","0.002","90","","18470.3","1","150","2","150","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C61 H141 K8 Mo18 N7 O99 S18 -","- C47.3 K8 Mo18 N4 O98.9 S18 -","- C189.2 K32 Mo72 N16 O395.6 S72 -","4","1","","Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin","Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine","Nature Communications","2014","5","","3715","","10.1038/ncomms4715","","","0.71073","MoKα","","0.1126","0.0711","","","0.1831","0.2152","","","","","","1.029","","","","has coordinates","203779","2020-10-21","18:00:00",""
"1548319","36.2479","0.001","36.2479","0.001","17.0202","0.0005","90","","90","","120","","19366.9","0.9","198","","198","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C32.33 H61.67 Cl2 Mo N2 O2.33 P2 -","- C31 H43 Cl2 Mo N2 O3.3334 P2 -","- C558 H774 Cl36 Mo18 N36 O60.0012 P36 -","18","1","","Hiromasa Tanaka; Kazuya Arashiba; Shogo Kuriyama; Akira Sasada; Kazunari Nakajima; Kazunari Yoshizawa; Yoshiaki Nishibayashi","Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia","Nature Communications","2014","5","","3737","","10.1038/ncomms4737","","","0.71075","MoKα","","","0.079","","","","0.1725","","","","","","1","","","","has coordinates","203782","2020-10-21","18:00:00",""
"1548320","16.3159","0.0005","16.3159","0.0005","19.6989","0.0005","90","","90","","120","","4541.5","0.2","198","","198","","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H44.33 Cl Mo N2 P2 -","- C24.3332 H43 Cl Mo N2 P2 -","- C145.999 H258 Cl6 Mo6 N12 P12 -","6","0.5","","Hiromasa Tanaka; Kazuya Arashiba; Shogo Kuriyama; Akira Sasada; Kazunari Nakajima; Kazunari Yoshizawa; Yoshiaki Nishibayashi","Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia","Nature Communications","2014","5","","3737","","10.1038/ncomms4737","","","0.71075","MoKα","","","0.1103","","","","0.2165","","","","","","1","","","","has coordinates","203783","2020-10-21","18:00:00",""
"1548321","33.3044","0.0007","15.2043","0.0003","13.0074","0.0003","90","","109.784","0.0007","90","","6197.8","0.2","183","","183","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C24 H43 Cl F3 Mo N2 O3 P2 S -","- C24 H43 Cl F3 Mo N2 O3 P2 S -","- C192 H344 Cl8 F24 Mo8 N16 O24 P16 S8 -","8","1","","Hiromasa Tanaka; Kazuya Arashiba; Shogo Kuriyama; Akira Sasada; Kazunari Nakajima; Kazunari Yoshizawa; Yoshiaki Nishibayashi","Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia","Nature Communications","2014","5","","3737","","10.1038/ncomms4737","","","0.71075","MoKα","","","0.0516","","","","0.105","","","","","","1.029","","","","has coordinates","203784","2020-10-21","18:00:00",""
"1548322","16.4904","0.0004","16.7621","0.0003","16.772","0.0004","90","","119.077","0.0007","90","","4051.71","0.16","198","","198","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C33 H57 Cl F3 Mo N3 O4 P2 S -","- C33 H57 Cl F3 Mo N3 O4 P2 S -","- C132 H228 Cl4 F12 Mo4 N12 O16 P8 S4 -","4","1","","Hiromasa Tanaka; Kazuya Arashiba; Shogo Kuriyama; Akira Sasada; Kazunari Nakajima; Kazunari Yoshizawa; Yoshiaki Nishibayashi","Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia","Nature Communications","2014","5","","3737","","10.1038/ncomms4737","","","0.71075","MoKα","","","0.0449","","","","0.0718","","","","","","1","","","","has coordinates","203785","2020-10-21","18:00:00",""
"1552077","18.868","0.007","14.993","0.006","23.283","0.009","90","","107.387","0.006","90","","6286","4","300","2","300","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H64 F6 N6 O10 Pd2 S2 -","- C48 H64 F6 N6 O10 Pd2 S2 -","- C192 H256 F24 N24 O40 Pd8 S8 -","4","0.5","","Cristina Garcia-Simon; Marc Garcia-Borras; Laura Gomez; Teodor Parella; Silvia Osuna; Jordi Juanhuix; Inhar Imaz; Daniel Maspoch; Miquel Costas; Xavi Ribas","Sponge-like molecular cage for purification of fullerenes","Nature Communications","2014","5","","5557","","10.1038/ncomms6557","","","0.71073","MoKα","","0.1522","0.075","","","0.1959","0.2223","","","","","","0.9","","","","has coordinates","216896","2020-10-21","18:00:00",""
"1552078","32.76","0.004","32.76","0.004","35.29","0.004","90","","90","","90","","37874","8","100","2","293","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C264 H280 N32 O16 Pd8 Zn2 -","- C11.234 H11.9149 N1.3617 O0.680851 Pd0.340426 Zn0.0851064 -","- C528 H560 N64 O32 Pd16 Zn4 -","47","2.9375","","Cristina Garcia-Simon; Marc Garcia-Borras; Laura Gomez; Teodor Parella; Silvia Osuna; Jordi Juanhuix; Inhar Imaz; Daniel Maspoch; Miquel Costas; Xavi Ribas","Sponge-like molecular cage for purification of fullerenes","Nature Communications","2014","5","","5557","","10.1038/ncomms6557","","","0.71073","MoKα","","0.2777","0.2481","","","0.4594","0.4865","","","","","","3.84","","","","has coordinates","216897","2020-10-21","18:00:00",""
"1552079","32.16","","32.16","","34.85","","90","","90","","90","","36044.2","","100","2","293","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C340 H280 N32 O16 Pd8 Zn2 -","- C28.3333 H23.3333 N2.66667 O1.33333 Pd0.666667 Zn0.166667 -","- C680 H560 N64 O32 Pd16 Zn4 -","24","1.5","","Cristina Garcia-Simon; Marc Garcia-Borras; Laura Gomez; Teodor Parella; Silvia Osuna; Jordi Juanhuix; Inhar Imaz; Daniel Maspoch; Miquel Costas; Xavi Ribas","Sponge-like molecular cage for purification of fullerenes","Nature Communications","2014","5","","5557","","10.1038/ncomms6557","","","0.71073","MoKα","","0.3349","0.267","","","0.4862","0.5691","","","","","","2.623","","","","has coordinates,has disorder","216898","2020-10-21","18:00:00",""
"1552080","32.202","0.004","32.202","0.004","34.972","0.005","90","","90","","90","","36265","8","100","2","293","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C380 H280 N23 O16 Pd8 Z -","- C31.6667 H23.3333 N2.66667 O1.33333 Pd0.666667 Zn0.166667 -","- C760 H560 N64 O32 Pd16 Zn4 -","24","1.5","","Cristina Garcia-Simon; Marc Garcia-Borras; Laura Gomez; Teodor Parella; Silvia Osuna; Jordi Juanhuix; Inhar Imaz; Daniel Maspoch; Miquel Costas; Xavi Ribas","Sponge-like molecular cage for purification of fullerenes","Nature Communications","2014","5","","5557","","10.1038/ncomms6557","","","0.71073","MoKα","","0.3899","0.301","","","0.4971","0.5571","","","","","","2.922","","","","has coordinates,has disorder","216899","2020-10-21","18:00:00",""