# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-23T20:33:51+01:00
# 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 Chemistry') AND volume = 10 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
"1551114","10.277","0.002","4.643","0.0009","11.285","0.002","90","","92.48","0.03","90","","537.97","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","synchrotron","","0.0419","0.0382","","","0.1052","0.1074","","","","","","1.153","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551115","10.225","0.002","4.708","0.0009","11.187","0.002","90","","93.01","0.03","90","","537.79","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.1839","0.0896","","","0.1516","0.1942","","","","","","1.138","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551116","10.231","0.002","4.7","0.0009","11.191","0.002","90","","92.95","0.03","90","","537.41","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.088","0.0641","","","0.1556","0.174","","","","","","1.103","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551117","10.257","0.002","4.678","0.0009","11.221","0.002","90","","92.81","0.03","90","","537.76","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.1365","0.0922","","","0.228","0.2617","","","","","","1.078","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551118","10.259","0.002","4.673","0.0009","11.23","0.002","90","","92.77","0.03","90","","537.74","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0727","0.0592","","","0.1444","0.1538","","","","","","1.08","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551119","10.238","0.002","4.691","0.0009","11.211","0.002","90","","92.85","0.03","90","","537.76","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.075","0.0619","","","0.1464","0.1597","","","","","","1.115","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551120","10.25","0.002","4.683","0.0009","11.213","0.002","90","","92.77","0.03","90","","537.6","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0641","0.0563","","","0.1268","0.1338","","","","","","1.098","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551121","10.268","0.002","4.674","0.0009","11.227","0.002","90","","92.56","0.03","90","","538.28","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0637","0.0578","","","0.1269","0.1313","","","","","","1.108","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551122","10.264","0.002","4.664","0.0009","11.249","0.002","90","","92.6","0.03","90","","537.95","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0591","0.0537","","","0.1101","0.1137","","","","","","1.07","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551123","10.271","0.002","4.654","0.0009","11.269","0.002","90","","92.46","0.03","90","","538.18","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0586","0.0526","","","0.1146","0.1194","","","","","","1.126","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551124","10.278","0.002","4.629","0.0009","11.318","0.002","90","","92.33","0.03","90","","538.03","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0599","0.054","","","0.118","0.1217","","","","","","1.135","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551125","10.283","0.002","4.618","0.0009","11.334","0.002","90","","92.26","0.03","90","","537.8","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0564","0.051","","","0.1055","0.109","","","","","","1.157","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551126","10.292","0.002","4.605","0.0009","11.36","0.002","90","","92.17","0.03","90","","538.02","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.056","0.0517","","","0.1095","0.1129","","","","","","1.107","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551127","10.301","0.002","4.594","0.0009","11.38","0.002","90","","92.07","0.03","90","","538.18","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0621","0.0554","","","0.1373","0.1448","","","","","","1.132","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551128","10.301","0.002","4.58","0.0009","11.413","0.002","90","","91.95","0.03","90","","538.14","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.064","0.0555","","","0.1286","0.1364","","","","","","1.112","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551129","10.305","0.002","4.573","0.0009","11.428","0.002","90","","91.94","0.03","90","","538.23","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.071","0.0602","","","0.1466","0.1565","","","","","","1.07","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551130","10.321","0.002","4.563","0.0009","11.444","0.002","90","","91.68","0.03","90","","538.72","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0735","0.0543","","","0.1261","0.1376","","","","","","1.163","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551131","10.326","0.002","4.558","0.0009","11.451","0.002","90","","91.63","0.03","90","","538.73","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.1779","0.0731","","","0.1313","0.1687","","","","","","1.08","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551132","10.261","0.002","4.668","0.0009","11.242","0.002","90","","92.72","0.03","90","","537.87","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0545","0.0472","","","0.1076","0.1122","","","","","","1.125","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551133","10.266","0.002","4.659","0.0009","11.26","0.002","90","","92.63","0.03","90","","537.99","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0466","0.0422","","","0.0971","0.0998","","","","","","1.2","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551134","10.268","0.002","4.654","0.0009","11.268","0.002","90","","92.61","0.03","90","","537.91","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0469","0.0438","","","0.0946","0.0964","","","","","","1.2","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551135","10.27","0.002","4.65","0.0009","11.282","0.002","90","","92.55","0.03","90","","538.24","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0481","0.0448","","","0.1001","0.1026","","","","","","1.196","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551136","10.276","0.002","4.64","0.0009","11.298","0.002","90","","92.49","0.03","90","","538.19","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0477","0.0449","","","0.0962","0.0983","","","","","","1.157","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551137","10.279","0.002","4.633","0.0009","11.311","0.002","90","","92.43","0.03","90","","538.17","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.046","0.0434","","","0.0928","0.0949","","","","","","1.075","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551138","10.287","0.002","4.615","0.0009","11.348","0.002","90","","92.26","0.03","90","","538.32","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0463","0.0436","","","0.0934","0.0955","","","","","","1.126","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551139","10.29","0.002","4.611","0.0009","11.357","0.002","90","","92.22","0.03","90","","538.45","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.049","0.0468","","","0.1021","0.1035","","","","","","1.14","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551140","10.293","0.002","4.603","0.0009","11.372","0.002","90","","92.14","0.03","90","","538.41","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0528","0.0493","","","0.122","0.1251","","","","","","1.126","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551141","10.296","0.002","4.599","0.0009","11.38","0.002","90","","92.1","0.03","90","","538.5","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.063","0.0571","","","0.1467","0.1522","","","","","","1.071","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551337","22.058","0.008","36.936","0.013","39.49","0.012","91.137","0.015","101.582","0.003","105.808","0.008","30232","18","120","2","120","","","","","","","","","5","P -1","-P 1","2","","","","- C260 H304 N32 O83 P16 -","- C243.5 H249 N32 O83 P16 -","- C974 H996 N128 O332 P64 -","4","2","","Krzysztof Ziach; Celine Chollet; Vincent Parissi; Panchami Prabhakaran; Mathieu Marchivie; Valentina Corvaglia; Partha Pratim Bose; Katta Laxmi-Reddy; Frederic Godde; Jean-Marie Schmitter; Stephane Chaignepain; Philippe Pourquier; Ivan Huc","Single helically folded aromatic oligoamides that mimic the charge surface of double-stranded B-DNA","Nature Chemistry","2018","10","","511","518","10.1038/s41557-018-0018-7","","","1.54178","CuKα","","0.2182","0.1765","","","0.4459","0.4834","","","","","","1.452","","","","has coordinates","215834","2020-10-21","18:00:00",""
"1551338","42.984","0.002","52.9718","0.0014","33.962","0.002","90","","126.304","0.002","90","","62319","5","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C259 H311 Cl3 N32 O83 P16 Si -","- C195 H151 Cl3 N32 O83 P16 Si -","- C1560 H1208 Cl24 N256 O664 P128 Si8 -","8","1","","Krzysztof Ziach; Celine Chollet; Vincent Parissi; Panchami Prabhakaran; Mathieu Marchivie; Valentina Corvaglia; Partha Pratim Bose; Katta Laxmi-Reddy; Frederic Godde; Jean-Marie Schmitter; Stephane Chaignepain; Philippe Pourquier; Ivan Huc","Single helically folded aromatic oligoamides that mimic the charge surface of double-stranded B-DNA","Nature Chemistry","2018","10","","511","518","10.1038/s41557-018-0018-7","","","1.54178","CuKα","","0.3397","0.1574","","","0.3276","0.3615","","","","","","0.971","","","","has coordinates","215835","2020-10-21","18:00:00",""
"1551339","26.415","0.017","28.192","0.014","42.64","0.02","85.65","0.011","75.41","0.02","75.48","0.05","29745","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C508 H592 N64 O163 P32 -","- C454 H427 N64 O163 P32 -","- C908 H854 N128 O326 P64 -","2","1","","Krzysztof Ziach; Celine Chollet; Vincent Parissi; Panchami Prabhakaran; Mathieu Marchivie; Valentina Corvaglia; Partha Pratim Bose; Katta Laxmi-Reddy; Frederic Godde; Jean-Marie Schmitter; Stephane Chaignepain; Philippe Pourquier; Ivan Huc","Single helically folded aromatic oligoamides that mimic the charge surface of double-stranded B-DNA","Nature Chemistry","2018","10","","511","518","10.1038/s41557-018-0018-7","","","0.81","","","0.2616","0.2081","","","0.4845","0.5207","","","","","","1.691","","","","has coordinates","215836","2020-10-21","18:00:00",""
"1551340","17.006","0.003","20.157","0.004","24.463","0.005","75.85","0.03","69.66","0.03","85.93","0.03","7623","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C140 H168 N16 O39 P8 -","- C140 H168 N16 O39 P8 -","- C280 H336 N32 O78 P16 -","2","1","","Krzysztof Ziach; Celine Chollet; Vincent Parissi; Panchami Prabhakaran; Mathieu Marchivie; Valentina Corvaglia; Partha Pratim Bose; Katta Laxmi-Reddy; Frederic Godde; Jean-Marie Schmitter; Stephane Chaignepain; Philippe Pourquier; Ivan Huc","Single helically folded aromatic oligoamides that mimic the charge surface of double-stranded B-DNA","Nature Chemistry","2018","10","","511","518","10.1038/s41557-018-0018-7","","","1.54178","CuKα","","0.1456","0.1245","","","0.3044","0.3189","","","","","","1.259","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551341","17.041","0.003","52.198","0.01","14.911","0.003","90","","106.91","0.03","90","","12690","5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C127 H128 Cl0 N20 O24 -","- C127 H128 N20 O24 -","- C508 H512 N80 O96 -","4","1","","Soumen De; Bo Chi; Thierry Granier; Ting Qi; Victor Maurizot; Ivan Huc","Designing cooperatively folded abiotic uni- and multimolecular helix bundles","Nature Chemistry","2018","10","","51","57","10.1038/nchem.2854","","","1.54178","CuKα","","0.2592","0.1297","","","0.2556","0.2888","","","","","","1.311","","","","has coordinates,has disorder","215838","2020-10-21","18:00:00",""
"1551342","27.392","0.006","35.87","0.007","28.337","0.006","90","","90.14","0.03","90","","27842","10","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C238 H226 N40 O44 -","- C238 H226 N40 O44 -","- C952 H904 N160 O176 -","4","1","","Soumen De; Bo Chi; Thierry Granier; Ting Qi; Victor Maurizot; Ivan Huc","Designing cooperatively folded abiotic uni- and multimolecular helix bundles","Nature Chemistry","2018","10","","51","57","10.1038/nchem.2854","","","0.8","","","0.1185","0.1048","","","0.2709","0.28","","","","","","1.757","","","","has coordinates,has disorder","301780","2025-08-18","21:43:23",""
"1551343","29.331","0.004","29.331","0.004","59.183","0.012","90","","90","","120","","44094","12","293","2","293","2","","","","","","","","5","P 3","P 3","143","","","","- C488 H460 Cl12 N80 O88 -","- C463 H383 Cl12 N80 O88 -","- C1389 H1149 Cl36 N240 O264 -","3","1","","Soumen De; Bo Chi; Thierry Granier; Ting Qi; Victor Maurizot; Ivan Huc","Designing cooperatively folded abiotic uni- and multimolecular helix bundles","Nature Chemistry","2018","10","","51","57","10.1038/nchem.2854","","","0.85","","","0.1421","0.1251","","","0.2917","0.2986","","","","","","1.74","","","","has coordinates,has disorder","215840","2020-10-21","18:00:00",""
"1551344","19.1113","0.0013","28.614","0.002","35.75","0.003","71.488","0.002","81.839","0.002","75.011","0.002","17869","2","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C256 H246 N44 O46 -","- C256 H246 N44 O46 -","- C512 H492 N88 O92 -","2","1","","Soumen De; Bo Chi; Thierry Granier; Ting Qi; Victor Maurizot; Ivan Huc","Designing cooperatively folded abiotic uni- and multimolecular helix bundles","Nature Chemistry","2018","10","","51","57","10.1038/nchem.2854","","","1.54178","CuKα","","0.1729","0.1089","","","0.2468","0.2663","","","","","","1.058","","","","has coordinates,has disorder","301780","2025-08-18","21:43:23",""
"1551345","18.008","0.004","18.419","0.004","30.513","0.006","78.68","0.03","88.33","0.03","65.83","0.03","9039","4","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C312 H313 Cl24 N44 O50 -","- C312 H313 Cl24 N44 O50 -","- C312 H313 Cl24 N44 O50 -","1","1","","Soumen De; Bo Chi; Thierry Granier; Ting Qi; Victor Maurizot; Ivan Huc","Designing cooperatively folded abiotic uni- and multimolecular helix bundles","Nature Chemistry","2018","10","","51","57","10.1038/nchem.2854","","","0.85001","","","0.1212","0.1019","","","0.2438","0.2527","","","","","","1.824","","","","has coordinates,has disorder","215842","2020-10-21","18:00:00",""
"1551346","25.286","0.005","26.901","0.005","27.418","0.006","108.71","0.03","107.77","0.03","109.81","0.03","14718","10","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C112 H104 N18 O21 -","- C112 H104 N18 O21 -","- C448 H416 N72 O84 -","4","4","","Soumen De; Bo Chi; Thierry Granier; Ting Qi; Victor Maurizot; Ivan Huc","Designing cooperatively folded abiotic uni- and multimolecular helix bundles","Nature Chemistry","2018","10","","51","57","10.1038/nchem.2854","","","0.8","","","0.1282","0.1021","","","0.2517","0.2747","","","","","","0.949","","","","has coordinates","215843","2020-10-21","18:00:00",""
"1551362","7.4654","0.0004","8.3783","0.0004","17.0551","0.0008","97.595","0.004","100.424","0.004","90.636","0.004","1039.27","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 N2 O2 S -","- C12 H10 N2 O2 S -","- C48 H40 N8 O8 S4 -","4","2","","Xiaoyan Wang; Linjiang Chen; Samantha Y. Chong; Marc A. Little; Yongzhen Wu; Wei-Hong Zhu; Rob Clowes; Yong Yan; Martijn A. Zwijnenburg; Reiner Sebastian Sprick; Andrew I. Cooper","Sulfone-containing covalent organic frameworks for photocatalytic hydrogen evolution from water","Nature Chemistry","2018","10","","1180","1189","10.1038/s41557-018-0141-5","","x-ray","0.6889","synchrotron","","0.0849","0.0789","","","0.2109","0.217","","","","","","1.028","","","","has coordinates","273808","2022-03-18","10:32:15",""
"1551363","5.8666","0.0002","10.0313","0.0003","13.5015","0.0004","90","","97.082","0.003","90","","788.5","0.04","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N2 O4 S2 -","- C18 H12 N2 O4 S2 -","- C36 H24 N4 O8 S4 -","2","0.5","","Xiaoyan Wang; Linjiang Chen; Samantha Y. Chong; Marc A. Little; Yongzhen Wu; Wei-Hong Zhu; Rob Clowes; Yong Yan; Martijn A. Zwijnenburg; Reiner Sebastian Sprick; Andrew I. Cooper","Sulfone-containing covalent organic frameworks for photocatalytic hydrogen evolution from water","Nature Chemistry","2018","10","","1180","1189","10.1038/s41557-018-0141-5","","x-ray","0.6889","Synchrotron","","0.055","0.0496","","","0.1308","0.1353","","","","","","1.034","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551369","19.8457","0.0004","23.3538","0.0006","27.1601","0.0005","106.247","0.002","106.538","0.002","101.356","0.002","11049.9","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C144.25 H160 Br0.8 N36.25 O69.5 S2 -","- C144.25 H160 Br0.8 N36.25 O69.5 S2 -","- C288.5 H320 Br1.6 N72.5 O139 S4 -","2","1","","Joseph M. Rogers; Sunbum Kwon; Simon J. Dawson; Pradeep K. Mandal; Hiroaki Suga; Ivan Huc","Ribosomal synthesis and folding of peptide-helical aromatic foldamer hybrids","Nature Chemistry","2018","10","","405","412","10.1038/s41557-018-0007-x","","","1.54184","CuKα","","0.1592","0.1355","","","0.3964","0.4202","","","","","","1.689","","","","has coordinates,has disorder","215887","2020-10-21","18:00:00",""
"1551392","48.517","0.005","48.517","0.005","64.134","0.007","90","","90","","120","","130740","2","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C628.5 H496.5 B115.5 Co12 F81 N117 O54 S27 -","- C586.5 H489.75 B126 Co12 N101.25 -","- C3519 H2938.5 B756 Co72 N607.5 -","6","0.333333","","Felix J. Rizzuto; Jonathan R. Nitschke","Stereochemical plasticity modulates cooperative binding in a CoII12L6 cuboctahedron","Nature Chemistry","2017","10","","903","908","10.1038/nchem.2758","","","0.6889","synchrotron","","0.1767","0.1491","","","0.3782","0.3995","","","","","","1.208","","","","has coordinates,has disorder","215921","2020-10-21","18:00:00",""
"1551393","26.438","0.013","30.374","0.016","31.047","0.01","67.3","0.04","84.86","0.04","78.93","0.07","22569","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C764 H707 B264 Co12 N115 O -","- C744 H693.244 B276 Co12 N117 O -","- C744 H693.244 B276 Co12 N117 O -","1","0.5","","Felix J. Rizzuto; Jonathan R. Nitschke","Stereochemical plasticity modulates cooperative binding in a CoII12L6 cuboctahedron","Nature Chemistry","2017","10","","903","908","10.1038/nchem.2758","","","0.6889","synchrotron","","0.1467","0.1303","","","0.3477","0.3628","","","","","","0.988","","","","has coordinates,has disorder","215922","2020-10-21","18:00:00",""
"1551394","40.2042","0.0009","54.2465","0.0018","40.2935","0.0009","90","","90.408","0.002","90","","87875","4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C618 H355.5 B5.5 Co12 F133 N117 O74 S37 -","- C581 H355.5 B5.5 Co12 F22 N98.5 -","- C2324 H1422 B22 Co48 F88 N394 -","4","1","","Felix J. Rizzuto; Jonathan R. Nitschke","Stereochemical plasticity modulates cooperative binding in a CoII12L6 cuboctahedron","Nature Chemistry","2017","10","","903","908","10.1038/nchem.2758","","","0.6889","synchrotron","","0.1676","0.1492","","","0.3951","0.4133","","","","","","1.289","","","","has coordinates,has disorder","215923","2020-10-21","18:00:00",""
"1551398","10.5311","0.0001","6.7935","0.0001","10.9017","0.0001","90","","112.687","0.001","90","","719.593","0.015","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C34 H36 N4 O6 -","2","1","","David L. Niquille; Douglas A. Hansen; Takahiro Mori; David Fercher; Hajo Kries; Donald Hilvert","Nonribosomal biosynthesis of backbone-modified peptides","Nature Chemistry","2018","10","","282","287","10.1038/nchem.2891","","x-ray","1.54184","CuKα","","0.0266","0.0266","","","0.0705","0.0706","","","","","","1.045","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551399","7.1977","0.00006","9.65236","0.00005","18.11426","0.00009","90","","90","","90","","1258.48","0.014","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","David L. Niquille; Douglas A. Hansen; Takahiro Mori; David Fercher; Hajo Kries; Donald Hilvert","Nonribosomal biosynthesis of backbone-modified peptides","Nature Chemistry","2018","10","","282","287","10.1038/nchem.2891","","x-ray","1.54184","CuKα","","0.0322","0.0313","","","0.0824","0.0831","","","","","","1.064","","","","has coordinates","215928","2020-10-21","18:00:00",""
"1551403","13.9006","0.0008","16.113","0.0009","17.2618","0.001","90","","93.095","0.001","90","","3860.7","0.4","180","","180","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 F6 N5 O8 S2 Zn -","- C29 H29 F6 N5 O8 S2 Zn -","- C116 H116 F24 N20 O32 S8 Zn4 -","4","1","","Meghan B. Ward; Andreas Scheitler; Meng Yu; Laura Senft; Annika S. Zillmann; John D. Gorden; Dean D. Schwartz; Ivana Ivanovic-Burmazovic; Christian R. Goldsmith","Superoxide dismutase activity enabled by a redox-active ligand rather than metal","Nature Chemistry","2018","10","","1207","1212","10.1038/s41557-018-0137-1","","","0.71073","MoKα","","0.0582","0.0457","","","0.1033","0.1099","","","","","","1.0523","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551404","16.6985","0.0016","12.4092","0.0012","17.7201","0.0017","90","","90","","90","","3671.9","0.6","180.45","","180.45","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C31 H34 F6 N6 O9 S2 Zn -","- C31 H34 F6 N6 O9 S2 Zn -","- C124 H136 F24 N24 O36 S8 Zn4 -","4","1","","Meghan B. Ward; Andreas Scheitler; Meng Yu; Laura Senft; Annika S. Zillmann; John D. Gorden; Dean D. Schwartz; Ivana Ivanovic-Burmazovic; Christian R. Goldsmith","Superoxide dismutase activity enabled by a redox-active ligand rather than metal","Nature Chemistry","2018","10","","1207","1212","10.1038/s41557-018-0137-1","","","0.71073","MoKα","","0.0715","0.0591","","","0.1128","0.1226","","","","","","1.0592","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:24",""
"1551405","10.2291","0.0006","11.3937","0.0006","12.5182","0.0007","93.769","0.002","113.627","0.001","103.02","0.002","1282.25","0.13","180","","180","","","","","","","","","4","P -1","-P 1","2","","2-({(2-{bis{(pyridin-2-yl)methyl}amino}ethyl){(pyridin-2-yl)methyl]amino]methyl)benzene-1,4-diol methanol solvate","","- C28 H33 N5 O3 -","- C28 H33 N5 O3 -","- C56 H66 N10 O6 -","2","1","","Meghan B. Ward; Andreas Scheitler; Meng Yu; Laura Senft; Annika S. Zillmann; John D. Gorden; Dean D. Schwartz; Ivana Ivanovic-Burmazovic; Christian R. Goldsmith","Superoxide dismutase activity enabled by a redox-active ligand rather than metal","Nature Chemistry","2018","10","","1207","1212","10.1038/s41557-018-0137-1","","","0.71073","MoKα","","0.0677","0.0588","","","0.1218","0.1294","","","","","","1.0795","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:24",""
"1551413","15.0023","0.0014","6.9693","0.0009","17.7197","0.0015","90","","112.945","0.002","90","","1706.1","0.3","100","","100","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C21 H15 N3 O3 Pd -","- C21 H15 N3 O3 Pd -","- C84 H60 N12 O12 Pd4 -","4","2","","Van T. Tran; John A. Gurak Jr; Kin S. Yang; Keary M. Engle","Activation of diverse carbon-heteroatom and carbon-carbon bonds via palladium(ii)-catalysed beta-X elimination","Nature Chemistry","2018","10","","1126","1133","10.1038/s41557-018-0110-z","","x-ray","0.71073","MoKα","","0.0498","0.0461","","","0.1074","0.1095","","","","","","1.044","","","","has coordinates","215951","2020-10-21","18:00:00",""
"1551414","10.5489","0.0015","10.6184","0.0015","19.274","0.002","76.628","0.004","84.772","0.005","81.899","0.005","2075.6","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H38 N6 O10 Pd2 -","- C46 H38 N6 O10 Pd2 -","- C92 H76 N12 O20 Pd4 -","2","1","","Van T. Tran; John A. Gurak Jr; Kin S. Yang; Keary M. Engle","Activation of diverse carbon-heteroatom and carbon-carbon bonds via palladium(ii)-catalysed beta-X elimination","Nature Chemistry","2018","10","","1126","1133","10.1038/s41557-018-0110-z","","x-ray","0.71073","MoKα","","0.0472","0.0307","","","0.0597","0.065","","","","","","1.025","","","","has coordinates","215952","2020-10-21","18:00:00",""
"1551447","21.255","0.0007","5.7151","0.001","18.8051","0.0006","90","","124.093","0.005","90","","1891.7","0.4","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H10 Br4 -","- C20 H10 Br4 -","- C80 H40 Br16 -","4","0.5","","Niko Pavlicek; Przemyslaw Gawel; Daniel R. Kohn; Zsolt Majzik; Yaoyao Xiong; Gerhard Meyer; Harry L. Anderson; Leo Gross","Polyyne formation via skeletal rearrangement induced by atomic manipulation","Nature Chemistry","2018","10","","853","858","10.1038/s41557-018-0067-y","","","1.54184","CuKα","","0.0497","0.0493","","0.1224","0.1216","0.1224","","","","","","1.0902","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:24",""
"1551448","12.0069","0.0004","3.9729","0.0002","22.0798","0.0007","90","","100.208","0.003","90","","1036.58","0.07","150","","150","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C24 H10 Br4 -","- C24 H10 Br4 -","- C48 H20 Br8 -","2","0.5","","Niko Pavlicek; Przemyslaw Gawel; Daniel R. Kohn; Zsolt Majzik; Yaoyao Xiong; Gerhard Meyer; Harry L. Anderson; Leo Gross","Polyyne formation via skeletal rearrangement induced by atomic manipulation","Nature Chemistry","2018","10","","853","858","10.1038/s41557-018-0067-y","","","1.54184","CuKα","","0.0525","0.0499","","0.1282","0.1222","0.1282","","","","","","1.0504","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:24",""
"1551449","10.6051","0.0007","4.9313","0.0003","23.4977","0.0016","90","","98.092","0.007","90","","1216.62","0.14","150","","150","","","","","","","",".","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H10 Br4 -","- C28 H10 Br4 -","- C56 H20 Br8 -","2","0.5","","Niko Pavlicek; Przemyslaw Gawel; Daniel R. Kohn; Zsolt Majzik; Yaoyao Xiong; Gerhard Meyer; Harry L. Anderson; Leo Gross","Polyyne formation via skeletal rearrangement induced by atomic manipulation","Nature Chemistry","2018","10","","853","858","10.1038/s41557-018-0067-y","","","1.54184","CuKα","","0.0734","0.0596","","0.1766","0.1585","0.1761","","","","","","1.1965","","","","has coordinates,has disorder,has Fobs","216017","2020-10-21","18:00:00",""
"1551498","6.90351","0.00004","6.97713","0.00004","10.82548","0.00006","90","","90","","90","","521.428","0.005","","","296","","","","","","","","","5","I m m m","-I 2 2","71","","","CrCl2pyz2","- C8 H16 Cl2 Cr N4 -","- C8 H16 Cl2 Cr N4 -","- C16 H32 Cl4 Cr2 N8 -","2","0.125","","Kasper S. Pedersen; Panagiota Perlepe; Michael L. Aubrey; Daniel N. Woodruff; Sebastian E. Reyes-Lillo; Anders Reinholdt; Laura Voigt; Zheshen Li; Kasper Borup; Mathieu Rouzieres; Dumitru Samohvalov; Fabrice Wilhelm; Andrei Rogalev; Jeffrey B. Neaton; Jeffrey R. Long; Rodolphe Clerac","Formation of the layered conductive magnet CrCl2(pyrazine)2 through redox-active coordination chemistry","Nature Chemistry","2018","10","","1056","1061","10.1038/s41557-018-0107-7","powder diffraction","x-ray","0.82626","synchrotron","","","","","","","","","","","","","4.9211","","","","has coordinates","216099","2020-10-21","18:00:00",""
"1551499","13.4559","0.0003","15.142","0.0004","23.1601","0.0006","90","","93.2","0.001","90","","4711.5","0.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20.5 Cl3 Cr N4 O4.25 -","- C20 H20.5 Cl3 Cr N4 O4.25 -","- C160 H164 Cl24 Cr8 N32 O34 -","8","2","","Kasper S. Pedersen; Panagiota Perlepe; Michael L. Aubrey; Daniel N. Woodruff; Sebastian E. Reyes-Lillo; Anders Reinholdt; Laura Voigt; Zheshen Li; Kasper Borup; Mathieu Rouzieres; Dumitru Samohvalov; Fabrice Wilhelm; Andrei Rogalev; Jeffrey B. Neaton; Jeffrey R. Long; Rodolphe Clerac","Formation of the layered conductive magnet CrCl2(pyrazine)2 through redox-active coordination chemistry","Nature Chemistry","2018","10","","1056","1061","10.1038/s41557-018-0107-7","","x-ray","1.34139","GaKα","","0.0332","0.0317","","","0.0812","0.0825","","","","","","1.074","","","","has coordinates,has disorder","216100","2020-10-21","18:00:00",""
"1551500","47.726","0.005","47.726","0.005","39.415","0.008","90","","90","","120","","77750","2","100","","100","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C384 H306 F30 Fe6 N36 O24 P5 -","- C384 F29.9994 Fe6 N36 O24 P4.9999 -","- C2304 F179.996 Fe36 N216 O144 P29.9994 -","6","0.333333","","Liang Zhang; Alexander J. Stephens; Alina L. Nussbaumer; Jean-Francois Lemonnier; Pia Jurcek; Inigo J. Vitorica-Yrezabal; David A. Leigh","Stereoselective synthesis of a composite knot with nine crossings","Nature Chemistry","2018","10","","1083","1088","10.1038/s41557-018-0124-6","","x-ray","0.6889","Synchrotron","","0.343","0.2678","","","0.5742","0.6393","","","","","","2.608","","","","has coordinates,has disorder","216102","2020-10-21","18:00:00",""
"1551834","7.95564","0.00014","16.3879","0.0003","26.8668","0.0005","90","","90","","90","","3502.79","0.11","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H32 Cl6 N2 O2 Os S -","- C35 H32 Cl6 N2 O2 Os S -","- C140 H128 Cl24 N8 O8 Os4 S4 -","4","1","","James P. C. Coverdale; Isolda Romero-Canelon; Carlos Sanchez-Cano; Guy J. Clarkson; Abraha Habtemariam; Martin Wills; Peter J. Sadler","Asymmetric transfer hydrogenation by synthetic catalysts in cancer cells","Nature Chemistry","2018","10","","347","354","10.1038/nchem.2918","","x-ray","0.71073","MoKα","","0.0436","0.0328","","","0.0539","0.057","","","","","","1.024","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551835","7.95923","0.00012","16.394","0.0003","26.878","0.0005","90","","90","","90","","3507.14","0.11","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H32 Cl6 N2 O2 Os S -","- C35 H32 Cl6 N2 O2 Os S -","- C140 H128 Cl24 N8 O8 Os4 S4 -","4","1","","James P. C. Coverdale; Isolda Romero-Canelon; Carlos Sanchez-Cano; Guy J. Clarkson; Abraha Habtemariam; Martin Wills; Peter J. Sadler","Asymmetric transfer hydrogenation by synthetic catalysts in cancer cells","Nature Chemistry","2018","10","","347","354","10.1038/nchem.2918","","x-ray","0.71073","MoKα","","0.0489","0.0361","","","0.0581","0.0623","","","","","","1.024","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551887","31.466","0.002","18.3593","0.0012","29.875","0.002","90","","126.405","0.0019","90","","13890.4","1.6","170","2","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H74 Br4 N4 O11 -","- C72 H74 Br4 N4 O11 -","- C576 H592 Br32 N32 O88 -","8","1","","Kelong Zhu; Giorgio Baggi; Stephen J. Loeb","Ring-through-ring molecular shuttling in a saturated [3]rotaxane","Nature Chemistry","2018","10","","625","630","10.1038/s41557-018-0040-9","","","1.54178","CuKα","","0.2035","0.1067","","","0.2366","0.2919","","","","","","1.039","","","","has coordinates,has disorder","216529","2020-10-21","18:00:00",""
"1551888","13.1755","0.0003","18.6165","0.0005","21.6086","0.0006","86.0293","0.0018","84.4233","0.0016","85.0168","0.0017","5245.3","0.2","170","2","170","","","","","","","","","6","P -1","-P 1","2","","","","- C248 H248 B2 F8 N4 O16 -","- C248 H248 B2 F8 N4 O16 -","- C248 H248 B2 F8 N4 O16 -","1","0.5","","Kelong Zhu; Giorgio Baggi; Stephen J. Loeb","Ring-through-ring molecular shuttling in a saturated [3]rotaxane","Nature Chemistry","2018","10","","625","630","10.1038/s41557-018-0040-9","","","1.54178","CuKα","","0.266","0.1452","","","0.3524","0.4188","","","","","","1.213","","","","has coordinates,has disorder","216530","2020-10-21","18:00:00",""
"1551903","8.368","0.0005","8.3711","0.0005","21.6926","0.0014","90","","93.54","0.005","90","","1516.65","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Cl2 Fe N4 -","- C14 H8 Cl2 Fe N4 -","- C56 H32 Cl8 Fe4 N16 -","4","0.5","","J. Lopez-Cabrelles; S. Manas-Valero; I. J. Vitorica-Yrezabal; P. J. Bereciartua; J. A. Rodriguez-Velamazan; J. C. Waerenborgh; B. J. C. Vieira; D. Davidovikj; P. G. Steeneken; H. S. J. van der Zant; G. Minguez Espallargas; E. Coronado","Isoreticular two-dimensional magnetic coordination polymers prepared through pre-synthetic ligand functionalization","Nature Chemistry","2018","10","","1001","1007","10.1038/s41557-018-0113-9","","x-ray","0.6889","","","0.0936","0.0919","","","0.2328","0.234","","","","","","1.16","","","","has coordinates,has disorder","216567","2020-10-21","18:00:00",""
"1551904","8.3356","0.0014","8.3352","0.0011","18.758","0.003","90","","96.965","0.013","90","","1293.7","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Fe N4 -","- C14 H10 Fe N4 -","- C56 H40 Fe4 N16 -","4","0.5","","J. Lopez-Cabrelles; S. Manas-Valero; I. J. Vitorica-Yrezabal; P. J. Bereciartua; J. A. Rodriguez-Velamazan; J. C. Waerenborgh; B. J. C. Vieira; D. Davidovikj; P. G. Steeneken; H. S. J. van der Zant; G. Minguez Espallargas; E. Coronado","Isoreticular two-dimensional magnetic coordination polymers prepared through pre-synthetic ligand functionalization","Nature Chemistry","2018","10","","1001","1007","10.1038/s41557-018-0113-9","","x-ray","0.6889","synchrotron","","0.0871","0.0813","","","0.2198","0.2275","","","","","","1.117","","","","has coordinates,has disorder","216568","2020-10-21","18:00:00",""
"1551905","8.2809","0.0006","8.2718","0.0006","21.798","0.003","90","","92.418","0.008","90","","1491.8","0.3","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Fe N4 -","- C16 H12 Fe N4 -","- C64 H48 Fe4 N16 -","4","0.5","","J. Lopez-Cabrelles; S. Manas-Valero; I. J. Vitorica-Yrezabal; P. J. Bereciartua; J. A. Rodriguez-Velamazan; J. C. Waerenborgh; B. J. C. Vieira; D. Davidovikj; P. G. Steeneken; H. S. J. van der Zant; G. Minguez Espallargas; E. Coronado","Isoreticular two-dimensional magnetic coordination polymers prepared through pre-synthetic ligand functionalization","Nature Chemistry","2018","10","","1001","1007","10.1038/s41557-018-0113-9","","x-ray","0.71073","MoKα","","0.097","0.0818","","","0.1957","0.2027","","","","","","1.176","","","","has coordinates,has disorder","216569","2020-10-21","18:00:00",""
"1551906","8.2958","0.0006","8.2991","0.0006","22.299","0.002","90","","92.44","0.008","90","","1533.8","0.2","150.02","0.1","150.02","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H8 Br2 Fe N4 -","- C14 H8 Br2 Fe N4 -","- C56 H32 Br8 Fe4 N16 -","4","1","","J. Lopez-Cabrelles; S. Manas-Valero; I. J. Vitorica-Yrezabal; P. J. Bereciartua; J. A. Rodriguez-Velamazan; J. C. Waerenborgh; B. J. C. Vieira; D. Davidovikj; P. G. Steeneken; H. S. J. van der Zant; G. Minguez Espallargas; E. Coronado","Isoreticular two-dimensional magnetic coordination polymers prepared through pre-synthetic ligand functionalization","Nature Chemistry","2018","10","","1001","1007","10.1038/s41557-018-0113-9","","x-ray","0.71073","MoKα","","0.2505","0.2372","","","0.5361","0.5506","","","","","","2.445","","","","has coordinates,has disorder","216570","2020-10-21","18:00:00",""
"1551907","8.2188","0.0019","8.217","0.002","21.481","0.013","90","","97.66","0.04","90","","1437.7","1","149.9","0.3","149.9","0.3","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Fe N6 -","- C14 H8.5 Fe N6 -","- C56 H34 Fe4 N24 -","4","0.5","","J. Lopez-Cabrelles; S. Manas-Valero; I. J. Vitorica-Yrezabal; P. J. Bereciartua; J. A. Rodriguez-Velamazan; J. C. Waerenborgh; B. J. C. Vieira; D. Davidovikj; P. G. Steeneken; H. S. J. van der Zant; G. Minguez Espallargas; E. Coronado","Isoreticular two-dimensional magnetic coordination polymers prepared through pre-synthetic ligand functionalization","Nature Chemistry","2018","10","","1001","1007","10.1038/s41557-018-0113-9","","x-ray","0.71073","MoKα","","0.1986","0.1772","","","0.411","0.4268","","","","","","1.158","","","","has coordinates,has disorder","216571","2020-10-21","18:00:00",""
"1551909","18.5676","0.0012","18.5676","0.0012","6.8056","0.0006","90","","90","","120","","2031.9","0.3","300","2","300","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C10 H11.33 Cu O6.67 -","- C10 H9 Cu O6.66467 -","- C60 H54 Cu6 O39.988 -","6","0.5","","Lauren N. McHugh; Matthew J. McPherson; Laura J. McCormick; Samuel A. Morris; Paul S. Wheatley; Simon J. Teat; David McKay; Daniel M. Dawson; Charlotte E. F. Sansome; Sharon E. Ashbrook; Corinne A. Stone; Martin W. Smith; Russell E. Morris","Hydrolytic stability in hemilabile metal-organic frameworks","Nature Chemistry","2018","10","","1096","1102","10.1038/s41557-018-0104-x","","","0.7749","synchrotron","","0.0478","0.0367","","","0.0973","0.1033","","","","","","1.061","","","","has coordinates","216574","2020-10-21","18:00:00",""
"1551910","33.028","0.003","33.028","0.003","5.2047","0.0006","90","","90","","120","","4916.9","0.8","300","2","300","2","","","","","","","","4","P 3 1 m","P 3 -2","157","","","","- C10 H8 Cu O5 -","- C10 H8 Cu O5 -","- C180 H144 Cu18 O90 -","18","3","","Lauren N. McHugh; Matthew J. McPherson; Laura J. McCormick; Samuel A. Morris; Paul S. Wheatley; Simon J. Teat; David McKay; Daniel M. Dawson; Charlotte E. F. Sansome; Sharon E. Ashbrook; Corinne A. Stone; Martin W. Smith; Russell E. Morris","Hydrolytic stability in hemilabile metal-organic frameworks","Nature Chemistry","2018","10","","1096","1102","10.1038/s41557-018-0104-x","","","0.7749","synchrotron","","0.1685","0.1515","","","0.3291","0.341","","","","","","1.104","","","","has coordinates,has disorder","216575","2020-10-21","18:00:00",""
"1551911","15.215","0.002","11.5219","0.0018","29.439","0.005","90","","90","","90","","5160.8","1.4","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H33 F3 Ir N O -","- C28 H33 F3 Ir N O -","- C224 H264 F24 Ir8 N8 O8 -","8","1","","Kwangmin Shin; Yoonsu Park; Mu-Hyun Baik; Sukbok Chang","Iridium-catalysed arylation of C-H bonds enabled by oxidatively induced reductive elimination","Nature Chemistry","2018","10","","218","224","10.1038/nchem.2900","","","0.71073","MoKα","","0.0334","0.0224","","","0.0452","0.0492","","","","","","1.116","","","","has coordinates","216576","2020-10-21","18:00:00",""
"1551924","20.0122","0.0015","9.8352","0.0007","7.4416","0.0006","90","","90.639","0.005","90","","1464.59","0.19","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 F3 N O3 W -","- C15 H10 F3 N O3 W -","- C60 H40 F12 N4 O12 W4 -","4","1","","Tianfei Liu; Meiyuan Guo; Andreas Orthaber; Reiner Lomoth; Marcus Lundberg; Sascha Ott; Leif Hammarstrom","Accelerating proton-coupled electron transfer of metal hydrides in catalyst model reactions","Nature Chemistry","2018","10","","881","887","10.1038/s41557-018-0076-x","","","0.71073","MoKα","","0.0825","0.072","","","0.1781","0.1859","","","","","","1.138","","","","has coordinates","216653","2020-10-21","18:00:00",""
"1551925","11.8215","0.0005","6.2202","0.0002","19.1297","0.0008","90","","92.475","0.002","90","","1405.33","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N O3 W -","- C15 H13 N O3 W -","- C60 H52 N4 O12 W4 -","4","1","","Tianfei Liu; Meiyuan Guo; Andreas Orthaber; Reiner Lomoth; Marcus Lundberg; Sascha Ott; Leif Hammarstrom","Accelerating proton-coupled electron transfer of metal hydrides in catalyst model reactions","Nature Chemistry","2018","10","","881","887","10.1038/s41557-018-0076-x","","","0.71073","MoKα","","0.0334","0.0271","","","0.0572","0.0591","","","","","","1.09","","","","has coordinates","216654","2020-10-21","18:00:00",""
"1551926","8.2435","0.0003","8.3778","0.0002","11.8392","0.0004","103.606","0.001","98.72","0.002","108.776","0.001","729.09","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 N O4 W -","- C15 H13 N O4 W -","- C30 H26 N2 O8 W2 -","2","1","","Tianfei Liu; Meiyuan Guo; Andreas Orthaber; Reiner Lomoth; Marcus Lundberg; Sascha Ott; Leif Hammarstrom","Accelerating proton-coupled electron transfer of metal hydrides in catalyst model reactions","Nature Chemistry","2018","10","","881","887","10.1038/s41557-018-0076-x","","","0.71073","MoKα","","0.0249","0.022","","","0.0507","0.052","","","","","","1.121","","","","has coordinates","216655","2020-10-21","18:00:00",""
"1552025","19.8738","0.0016","19.8738","0.0016","19.8738","0.0016","90","","90","","90","","7849.5","1.1","100","2","100.15","","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C86 H123 K N2 O10 U -","- C86.0001 H123 K N2 O10 U -","- C344 H492.001 K4 N8 O40 U4 -","4","0.333333","","Dominik P. Halter; Frank W. Heinemann; Laurent Maron; Karsten Meyer","The role of uranium-arene bonding in H2O reduction catalysis","Nature Chemistry","2018","10","","259","267","10.1038/nchem.2899","","","0.71073","MoKα","","0.0389","0.0336","","","0.0721","0.0737","","","","","","1.081","","","","has coordinates,has disorder","216834","2020-10-21","18:00:00",""
"1552026","15.4665","0.0005","18.133","0.0007","19.847","0.0007","90","","92.049","0.003","90","","5562.6","0.3","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C67 H86 N3 O3 U -","- C67 H86 N3 O3 U -","- C268 H344 N12 O12 U4 -","4","1","","Dominik P. Halter; Frank W. Heinemann; Laurent Maron; Karsten Meyer","The role of uranium-arene bonding in H2O reduction catalysis","Nature Chemistry","2018","10","","259","267","10.1038/nchem.2899","","","0.71073","MoKα","","0.0338","0.0228","","","0.0472","0.0506","","","","","","1.031","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1552027","41.761","0.002","15.8422","0.0006","24.5005","0.0015","90","","124.439","0.003","90","","13368.2","1.3","100","2","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C79 H107 O8 U -","- C79 H107 O8 U -","- C632 H856 O64 U8 -","8","1","","Dominik P. Halter; Frank W. Heinemann; Laurent Maron; Karsten Meyer","The role of uranium-arene bonding in H2O reduction catalysis","Nature Chemistry","2018","10","","259","267","10.1038/nchem.2899","","","0.71073","MoKα","","0.0373","0.026","","","0.0608","0.0655","","","","","","1.05","","","","has coordinates,has disorder","301780","2025-08-18","21:43:25",""
"1552028","11.36","0.002","25.522","0.005","22.856","0.004","90","","97.314","0.003","90","","6573","2","100","2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H105 N3 O7 Si U -","- C70 H105 N3 O7 Si U -","- C280 H420 N12 O28 Si4 U4 -","4","1","","Dominik P. Halter; Frank W. Heinemann; Laurent Maron; Karsten Meyer","The role of uranium-arene bonding in H2O reduction catalysis","Nature Chemistry","2018","10","","259","267","10.1038/nchem.2899","","","0.71073","MoKα","","0.0343","0.0267","","","0.0655","0.0689","","","","","","1.066","","","","has coordinates,has disorder","216837","2020-10-21","18:00:00",""