# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-01T15:43:52+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 = 8 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
"1547320","17.934","0.008","36.37","0.02","13.179","0.008","90","","120.82","0.03","90","","7382","7","243","2","243","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cu N4 O6 Se -","- C26 H22 Cu N4 O6 Se -","- C312 H264 Cu12 N48 O72 Se12 -","12","3","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.1294","0.0894","","","0.2069","0.2324","","","","","","1.2","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547321","17.86","0.03","12.16","0.03","13.17","0.03","90","","120.79","0.03","90","","2457","9","303","2","303","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Cu N4 O6 Se -","- C26 H22 Cu N4 O6 Se -","- C104 H88 Cu4 N16 O24 Se4 -","4","0.5","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0953","0.0697","","","0.162","0.1735","","","","","","1.059","","","","has coordinates","201235","2020-10-21","18:00:00",""
"1547322","17.924","0.013","12.236","0.013","13.253","0.015","90","","120.69","0.03","90","","2500","4","353","2","353","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4.73 H4 Cu0.18 N0.73 O1.09 Se0.18 -","- C4.72727 H4 Cu0.181818 N0.727273 O1.09091 Se0.181818 -","- C104 H88 Cu4 N16 O24 Se4 -","22","2.75","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0616","0.0492","","","0.1206","0.1281","","","","","","1.115","","","","has coordinates","201236","2020-10-21","18:00:00",""
"1547323","17.434","0.019","13.149","0.012","13.184","0.014","90","","123.634","0.01","90","","2516","4","93","2","93","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0458","0.0392","","","0.1007","0.1078","","","","","","1.101","","","","has coordinates,has disorder","201237","2020-10-21","18:00:00",""
"1547324","17.58","0.019","13.218","0.013","13.269","0.015","90","","123.34","0.013","90","","2576","5","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.058","0.0509","","","0.1251","0.1337","","","","","","1.067","","","","has coordinates,has disorder","201238","2020-10-21","18:00:00",""
"1547326","17.515","0.02","13.237","0.012","13.262","0.015","90","","123.415","0.013","90","","2566","5","243","2","243","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0704","0.0536","","","0.1277","0.1438","","","","","","1.004","","","","has coordinates,has disorder","201240","2020-10-21","18:00:00",""
"1547328","17.582","0.008","13.248","0.008","13.324","0.005","90","","123.38","0.04","90","","2592","2","333","2","333","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0455","0.0391","","","0.0908","0.0955","","","","","","1.046","","","","has coordinates,has disorder","201242","2020-10-21","18:00:00",""
"1547329","17.723","0.009","12.711","0.006","13.471","0.007","90","","123.186","0.008","90","","2540","2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.047","0.0433","","","0.0907","0.0936","","","","","","1.051","","","","has coordinates","201243","2020-10-21","18:00:00",""
"1547330","17.794","0.008","12.662","0.008","13.644","0.011","90","","123.19","0.02","90","","2573","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","0.5","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0472","0.0411","","","0.0939","0.0969","","","","","","1.115","","","","has coordinates,has disorder","201244","2020-10-21","18:00:00",""
"1547331","17.551","0.018","13.247","0.011","13.266","0.013","90","","123.367","0.012","90","","2576","4","253","2","253","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0622","0.05","","","0.126","0.1377","","","","","","1.05","","","","has coordinates,has disorder","201245","2020-10-21","18:00:00",""
"1547332","17.551","0.006","13.239","0.006","13.305","0.005","90","","123.3","0.03","90","","2584","2","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H16 Cu0.67 N2.67 O4 Se0.67 -","- C18 H16 Cu0.666667 N2.66667 O4 Se0.666667 -","- C108 H96 Cu4 N16 O24 Se4 -","6","1.5","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0554","0.0465","","","0.1181","0.1264","","","","","","1.025","","","","has coordinates,has disorder","201246","2020-10-21","18:00:00",""
"1547688","23.9163","0.0017","13.5859","0.001","26.106","0.002","90","","90","","90","","8482.5","1.1","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H16 F6 O13 P4 Zr2.69 -","- C25 H16 F6 O13 P4 Zr2.685 -","- C200 H128 F48 O104 P32 Zr21.48 -","8","1","","Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga","Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system","Nature Communications","2017","8","","15369","","10.1038/ncomms15369","","","0.71073","MoKα","","0.1266","0.0869","","","0.2454","0.2697","","","","","","1.042","","","","has coordinates,has disorder","202051","2020-10-21","18:00:00",""
"1547689","33.081","0.005","33.081","0.005","15.832","0.003","90","","90","","90","","17326","5","123","2","123","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C25 H16 F8 O12 P4 Zr3 -","- C25 H16 F8 O12 P4 Zr3 -","- C200 H128 F64 O96 P32 Zr24 -","8","0.5","","Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga","Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system","Nature Communications","2017","8","","15369","","10.1038/ncomms15369","","","0.71073","MoKα","","0.0994","0.0674","","","0.2165","0.2456","","","","","","0.973","","","","has coordinates","202052","2020-10-21","18:00:00",""
"1547690","16.9609","0.0013","26.425","0.002","16.9629","0.0013","90","","117.718","0.002","90","","6730.2","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H48 F18 O24 P8 Zr7 -","- C68 H48 F18 O24 P8 Zr7 -","- C136 H96 F36 O48 P16 Zr14 -","2","0.5","","Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga","Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system","Nature Communications","2017","8","","15369","","10.1038/ncomms15369","","","0.71073","MoKα","","0.1317","0.1085","","","0.3076","0.3315","","","","","","1.053","","","","has coordinates","202053","2020-10-21","18:00:00",""
"1547691","24.905","0.003","24.905","0.003","7.5896","0.001","90","","90","","90","","4707.5","1","223","2","223","2","","","","","","","","3","I 41/a","-I 4ad","88","","","","- C41 O14 P4 -","- C41 O16 P4 -","- C164 O64 P16 -","4","","","Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga","Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system","Nature Communications","2017","8","","15369","","10.1038/ncomms15369","","","0.71073","MoKα","","0.0989","0.0763","","","0.2121","0.2332","","","","","","1.059","","","","has coordinates,has disorder","202054","2020-10-21","18:00:00",""
"1547692","13.2646","0.0007","13.2646","0.0007","7.5238","0.0005","90","","90","","90","","1323.81","0.13","273","2","273","2","","","","","","","","4","I -4","I -4","82","","","","- C25 H24 O12 P4 -","- C25 H24 O12 P4 -","- C50 H48 O24 P8 -","2","0.25","","Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga","Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system","Nature Communications","2017","8","","15369","","10.1038/ncomms15369","","","0.71073","MoKα","","0.0516","0.0432","","","0.1028","0.1218","","","","","","1.075","","","","has coordinates","202055","2020-10-21","18:00:00",""
"1547693","21.7593","0.0011","33.6872","0.0016","28.3246","0.0014","90","","92.856","0.003","90","","20736.4","1.8","273","","273","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C212 H181 N8 O34 Pd2 S16 -","- C212 H181 N8 O34 Pd2 S16 -","- C848 H724 N32 O136 Pd8 S64 -","4","1","","Sho Matsuno; Masahiro Yamashina; Yoshihisa Sei; Munetaka Akita; Akiyoshi Kuzume; Kimihisa Yamamoto; Michito Yoshizawa","Exact mass analysis of sulfur clusters upon encapsulation by a polyaromatic capsular matrix","Nature Communications","2017","8","","749","","10.1038/s41467-017-00605-5","","","1.54178","CuKα","","0.1955","0.1355","","","0.3575","0.4022","","","","","","1.334","","","","has coordinates","202056","2020-10-21","18:00:00",""
"1547694","21.297","0.002","21.48","0.002","27.276","0.003","70.017","0.001","69.062","0.001","61.468","0.001","10013.5","1.7","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C212 H184 N12 O46 Pd2 S12 -","- C212 H184 N12 O46 Pd2 S12 -","- C424 H368 N24 O92 Pd4 S24 -","2","1","","Sho Matsuno; Masahiro Yamashina; Yoshihisa Sei; Munetaka Akita; Akiyoshi Kuzume; Kimihisa Yamamoto; Michito Yoshizawa","Exact mass analysis of sulfur clusters upon encapsulation by a polyaromatic capsular matrix","Nature Communications","2017","8","","749","","10.1038/s41467-017-00605-5","","","0.71073","MoKα","","0.1988","0.1346","","","0.3689","0.4282","","","","","","1.06","","","","has coordinates,has disorder","202057","2020-10-21","18:00:00",""
"1547708","9.099","0.009","6.059","0.006","9.24","0.009","90","","90","","90","","509.4","0.9","293","2","293","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C7 H14 I N O4 -","- C7 H12 I N O4 -","- C14 H24 I2 N2 O8 -","2","0.5","","Yu-Meng You; Yuan-Yuan Tang; Peng-Fei Li; Han-Yue Zhang; Wan-Ying Zhang; Yi Zhang; Heng-Yun Ye; Takayoshi Nakamura; Ren-Gen Xiong","Quinuclidinium salt ferroelectric thin-film with duodecuple-rotational polarization-directions","Nature Communications","2017","8","","14934","","10.1038/ncomms14934","","","0.71073","MoKα","","0.0392","0.0362","","","0.0683","0.0698","","","","","","1.144","","","","has coordinates","202105","2020-10-21","18:00:00",""
"1547709","6.437","0.008","6.437","0.008","6.437","0.008","90","","90","","90","","266.7","0.6","338","2","338","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C7 H14 I N O4 -","- C7.9992 I O4 -","- C7.9992 I O4 -","1","0.0208333","","Yu-Meng You; Yuan-Yuan Tang; Peng-Fei Li; Han-Yue Zhang; Wan-Ying Zhang; Yi Zhang; Heng-Yun Ye; Takayoshi Nakamura; Ren-Gen Xiong","Quinuclidinium salt ferroelectric thin-film with duodecuple-rotational polarization-directions","Nature Communications","2017","8","","14934","","10.1038/ncomms14934","","","0.71073","MoKα","","0.1468","0.145","","","0.3081","0.3087","","","","","","1.402","","","","has coordinates","202106","2020-10-21","18:00:00",""
"1547718","25.016","0.003","9.6759","0.0012","27.415","0.003","90","","116.342","0.002","90","","5946.8","1.2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C120 H125 N17 O31 Zn4 -","- C120 H104 N17 O31 Zn4 -","- C240 H208 N34 O62 Zn8 -","2","0.5","","Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan","Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization","Nature Communications","2017","8","","361","","10.1038/s41467-017-00416-8","","","0.71073","MoKα","","0.0809","0.0592","","","0.1651","0.1802","","","","","","1.088","","","","has coordinates","202115","2020-10-21","18:00:00",""
"1547719","25.0155","0.0017","9.6927","0.0007","27.3884","0.0018","90","","116.251","0.0011","90","","5955.9","0.7","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C120 H125 N17 O31 Zn4 -","- C120 H104 N17 O31 Zn4 -","- C240 H208 N34 O62 Zn8 -","2","0.5","","Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan","Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization","Nature Communications","2017","8","","361","","10.1038/s41467-017-00416-8","","","0.71073","MoKα","","0.0551","0.0491","","","0.1726","0.1792","","","","","","1.064","","","","has coordinates","202116","2020-10-21","18:00:00",""
"1547720","25.9658","0.0015","9.0558","0.0005","27.369","0.0015","90","","117.686","0.0009","90","","5698.7","0.6","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C115 H115 N13 O29 Zn4 -","- C115 H108 N13 O29 Zn4 -","- C230 H216 N26 O58 Zn8 -","2","0.25","","Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan","Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization","Nature Communications","2017","8","","361","","10.1038/s41467-017-00416-8","","","0.71073","MoKα","","0.0627","0.0513","","","0.2017","0.2161","","","","","","1.033","","","","has coordinates","202117","2020-10-21","18:00:00",""
"1547721","24.9168","0.0019","9.6298","0.0007","27.373","0.003","90","","116.294","0.0013","90","","5888.4","0.9","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C125 H134 N16 O33 Zn4 -","- C125 H104 N16 O33 Zn4 -","- C250 H208 N32 O66 Zn8 -","2","0.5","","Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan","Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization","Nature Communications","2017","8","","361","","10.1038/s41467-017-00416-8","","","0.71073","MoKα","","0.0495","0.0457","","","0.1463","0.1509","","","","","","1.01","","","","has coordinates,has disorder","202118","2020-10-21","18:00:00",""
"1547722","24.9012","0.0017","9.6416","0.0006","27.3223","0.0018","90","","116.379","0.001","90","","5876.7","0.7","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C128 H140 N16 O32 Zn4 -","- C128 H104 N16 O32 Zn4 -","- C256 H208 N32 O64 Zn8 -","2","0.5","","Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan","Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization","Nature Communications","2017","8","","361","","10.1038/s41467-017-00416-8","","","0.71073","MoKα","","0.0429","0.0406","","","0.1182","0.1198","","","","","","1.054","","","","has coordinates,has disorder","202119","2020-10-21","18:00:00",""
"1547723","38.0759","0.0015","12.6702","0.0005","7.9552","0.0003","90","","101.488","0.007","90","","3760.9","0.3","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 -","- C30 H18 -","- C240 H144 -","8","1","","Akitoshi Shiotari; Takahiro Nakae; Kota Iwata; Shigeki Mori; Tetsuo Okujima; Hidemitsu Uno; Hiroshi Sakaguchi; Yoshiaki Sugimoto","Strain-induced skeletal rearrangement of a polycyclic aromatic hydrocarbon on a copper surface","Nature Communications","2017","8","","16089","","10.1038/ncomms16089","","","1.54187","CuKα","","0.0766","0.058","","","0.1371","0.1475","","","","","","1.031","","","","has coordinates","202120","2020-10-21","18:00:00",""
"1547724","37.63","0.013","6.3613","0.0019","16.724","0.006","90","","111.123","0.005","90","","3734","2","100","","100","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 -","- C30 H18 -","- C240 H144 -","8","1","","Akitoshi Shiotari; Takahiro Nakae; Kota Iwata; Shigeki Mori; Tetsuo Okujima; Hidemitsu Uno; Hiroshi Sakaguchi; Yoshiaki Sugimoto","Strain-induced skeletal rearrangement of a polycyclic aromatic hydrocarbon on a copper surface","Nature Communications","2017","8","","16089","","10.1038/ncomms16089","","","0.71075","MoKα","","0.0983","0.0702","","","0.1975","0.2263","","","","","","1.117","","","","has coordinates","202121","2020-10-21","18:00:00",""
"1547759","7.51","","7.51","","7.51","","90","","90","","90","","423.565","","293","","293","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Cu0.25 Te0.1667 -","- Cu0.25 Te0.166667 -","- Cu12 Te8 -","48","1","","Tom Willhammar; Kadir Sentosun; Stefanos Mourdikoudis; Bart Goris; Mert Kurttepeli; Marnik Bercx; Dirk Lamoen; Bart Partoens; Isabel Pastoriza-Santos; Jorge Perez-Juste; Luis M. Liz-Marzan; Sara Bals; Gustaaf Van Tendeloo","Structure and vacancy distribution in copper telluride nanoparticles influence plasmonic activity in the near-infrared","Nature Communications","2017","8","","14925","","10.1038/ncomms14925","","","0.0251","electron","","0.129","0.129","","0.125","0.125","","","","1.598","1.598","1.598","","","","","has coordinates","202189","2020-10-21","18:00:00",""
"1547886","18.6841","0.0007","18.6841","0.0007","34.6796","0.0017","90","","90","","90","","12106.5","0.9","120.03","0.1","120.03","0.1","","","","","","","","6","P 4/m n c","-P 4 2n","128","MFM-188","","","- C92 H173 Cu4 N9 O49 S6 -","- C48 H30 Cu4 N4 O24 -","- C192 H120 Cu16 N16 O96 -","4","0.25","","Florian Moreau; Ivan da Silva; Nada H. Al Smail; Timothy L. Easun; Mathew Savage; Harry G. W. Godfrey; Stewart F. Parker; Pascal Manuel; Sihai Yang; Martin Schroder","Unravelling exceptional acetylene and carbon dioxide adsorption within a tetra-amide functionalized metal-organic framework","Nature Communications","2017","8","","14085","","10.1038/ncomms14085","","x-ray","1.54184","CuKα","","0.1305","0.0855","","","0.2263","0.2746","","","","","","0.915","","","","has coordinates","204128","2020-10-21","18:00:00",""
"1547887","18.7721","0.0004","18.7721","0.0004","34.7704","0.0014","90","","90","","90","","12252.8","0.6","10","","10","","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","MFM-188_empty","- C24 H11 Cu2 N2 O10 -","- C24 H11 Cu2 N2 O10 -","- C192 H88 Cu16 N16 O80 -","8","0.5","","Florian Moreau; Ivan da Silva; Nada H. Al Smail; Timothy L. Easun; Mathew Savage; Harry G. W. Godfrey; Stewart F. Parker; Pascal Manuel; Sihai Yang; Martin Schroder","Unravelling exceptional acetylene and carbon dioxide adsorption within a tetra-amide functionalized metal-organic framework","Nature Communications","2017","8","","14085","","10.1038/ncomms14085","powder diffraction","","","neutron","","1.13032","","","","","","","","6.49093","","","","","","","has coordinates","202890","2020-10-21","18:00:00",""
"1547888","6.5268","0.0017","11.251","0.003","9.814","0.003","90","","105.271","0.007","90","","695.2","0.3","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","Lanthanum borate chloride","","","- B4 Cl La O8 -","- B4 Cl La O8 -","- B16 Cl4 La4 O32 -","4","1","","Xuemiao Yin; Yaxing Wang; Xiaojing Bai; Yumin Wang; Lanhua Chen; Chengliang Xiao; Juan Diwu; Shiyu Du; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang","Rare earth separations by selective borate crystallization","Nature Communications","2017","8","","14438","","10.1038/ncomms14438","","","0.71073","MoKα","","0.0111","0.0111","","","0.0286","0.0286","","","","","","1.037","","","","has coordinates","202892","2020-10-21","18:00:00",""
"1547889","8.1867","0.0004","14.5421","0.0007","9.8317","0.0005","90","","90.281","0.002","90","","1170.47","0.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Neodymium borate chloride","","","- B12 Cl2 Nd2 O29 -","- B12 Cl2 Nd2 O29 -","- B24 Cl4 Nd4 O58 -","2","0.5","","Xuemiao Yin; Yaxing Wang; Xiaojing Bai; Yumin Wang; Lanhua Chen; Chengliang Xiao; Juan Diwu; Shiyu Du; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang","Rare earth separations by selective borate crystallization","Nature Communications","2017","8","","14438","","10.1038/ncomms14438","","","0.71073","MoKα","","0.0393","0.0322","","","0.0685","0.0706","","","","","","1.148","","","","has coordinates","202893","2020-10-21","18:00:00",""
"1547890","8.7754","0.0017","27.454","0.005","6.8312","0.0012","90","","127.524","0.005","90","","1305.3","0.4","298","2","298","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","Samarium borate","","","- B7 O17 Sm -","- B7 O17 Sm -","- B28 O68 Sm4 -","4","0.5","","Xuemiao Yin; Yaxing Wang; Xiaojing Bai; Yumin Wang; Lanhua Chen; Chengliang Xiao; Juan Diwu; Shiyu Du; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang","Rare earth separations by selective borate crystallization","Nature Communications","2017","8","","14438","","10.1038/ncomms14438","","","0.71073","MoKα","","0.0403","0.0318","","","0.07","0.0726","","","","","","1.089","","","","has coordinates","202894","2020-10-21","18:00:00",""
"1547891","6.8148","0.0008","7.1444","0.0009","12.7191","0.0015","96.093","0.003","98.513","0.003","101.75","0.003","593.64","0.12","298","2","298","2","","","","","","","","3","P -1","-P 1","2","Europium borate","","","- B7 Eu O16 -","- B7 Eu O16 -","- B14 Eu2 O32 -","2","1","","Xuemiao Yin; Yaxing Wang; Xiaojing Bai; Yumin Wang; Lanhua Chen; Chengliang Xiao; Juan Diwu; Shiyu Du; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang","Rare earth separations by selective borate crystallization","Nature Communications","2017","8","","14438","","10.1038/ncomms14438","","","0.71073","MoKα","","0.0241","0.0227","","","0.0595","0.0598","","","","","","1.174","","","","has coordinates","202895","2020-10-21","18:00:00",""
"1547892","17.0783","0.0004","17.0783","0.0004","20.3077","0.0011","90","","90","","120","","5129.6","0.3","298","2","298","2","","","","","","","","3","R -3 :H","-R 3","148","Lutecium borate","","","- B24 Lu4 O49 -","- B24 Lu4 O49 -","- B144 Lu24 O294 -","6","0.333333","","Xuemiao Yin; Yaxing Wang; Xiaojing Bai; Yumin Wang; Lanhua Chen; Chengliang Xiao; Juan Diwu; Shiyu Du; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang","Rare earth separations by selective borate crystallization","Nature Communications","2017","8","","14438","","10.1038/ncomms14438","","","0.71073","MoKα","","0.0573","0.0364","","","0.0573","0.061","","","","","","1.173","","","","has coordinates","202896","2020-10-21","18:00:00",""
"1547893","11.0081","0.001","11.0439","0.0011","20.174","0.002","81.37","0.006","78.531","0.005","80.367","0.006","2352.4","0.4","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C41 H72.5 N7 O13.25 -","- C41 H61 N7 O13.25 -","- C82 H122 N14 O26.5 -","2","2","","Sudipta Mondal; Maxim Varenik; Daniel Nir Bloch; Yoav Atsmon-Raz; Guy Jacoby; Lihi Adler-Abramovich; Linda J.W. Shimon; Roy Beck; Yifat Miller; Oren Regev; Ehud Gazit","A minimal length rigid helical peptide motif allows rational design of modular surfactants","Nature Communications","2017","8","","14018","","10.1038/ncomms14018","","","0.71073","MoKα","","0.0826","0.0556","","","0.1123","0.1266","","","","","","1.028","","","","has coordinates,has disorder","216710","2020-10-21","18:00:00",""
"1547894","28.535","0.004","28.535","0.004","39.508","0.008","90","","90","","90","","32169","9","298","2","298","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C208 H168 Cu24 O144 S8 -","- C208 H144 Cu24 O144 S8 -","- C416 H288 Cu48 O288 S16 -","2","0.125","","Jiyoung Lee; Ja Hun Kwak; Wonyoung Choe","Evolution of form in metal–organic frameworks","Nature Communications","2017","8","","14070","","10.1038/ncomms14070","","","0.70001","synchrotron","","0.1089","0.0877","","","0.2814","0.3004","","","","","","1.045","","","","has coordinates","202898","2020-10-21","18:00:00",""
"1547895","39.878","0.005","39.878","0.005","39.878","0.005","90","","90","","90","","63416","14","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C228 H192 Cu24 N12 O132 -","- C228 H192 Cu24 N12 O132 -","- C912 H768 Cu96 N48 O528 -","4","0.0208333","","Jiyoung Lee; Ja Hun Kwak; Wonyoung Choe","Evolution of form in metal–organic frameworks","Nature Communications","2017","8","","14070","","10.1038/ncomms14070","","","0.71073","MoKα","","0.1709","0.1486","","","0.3738","0.3923","","","","","","1.258","","","","has coordinates","202899","2020-10-21","18:00:00",""
"1547896","39.954","0.005","39.954","0.005","39.954","0.005","90","","90","","90","","63779","14","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C228 H192 Cu24 N12 O132 -","- C228 H192 Cu24 N12 O132 -","- C912 H768 Cu96 N48 O528 -","4","0.0208333","","Jiyoung Lee; Ja Hun Kwak; Wonyoung Choe","Evolution of form in metal–organic frameworks","Nature Communications","2017","8","","14070","","10.1038/ncomms14070","","","0.71073","MoKα","","0.1203","0.0963","","","0.2864","0.3278","","","","","","1.273","","","","has coordinates","202900","2020-10-21","18:00:00",""
"1547947","13.1207","0.001","15.5348","0.0011","22.321","0.0016","72.773","0.004","77.36","0.004","70.252","0.004","4054.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H91 Cl21 Fe N14 O6 -","- C51 H91 Cl21 Fe N14 O6 -","- C102 H182 Cl42 Fe2 N28 O12 -","2","1","","Stefania Tomyn; Sergii I. Shylin; Dmytro Bykov; Vadim Ksenofontov; Elzbieta Gumienna-Kontecka; Volodymyr Bon; Igor O. Fritsky","Indefinitely stable iron(IV) cage complexes formed in water by air oxidation","Nature Communications","2017","8","","14099","","10.1038/ncomms14099","","","0.71073","MoKα","","0.1641","0.0925","","","0.2475","0.2956","","","","","","1.027","","","","has coordinates,has disorder","203036","2020-10-21","18:00:00",""
"1547948","21.088","0.0004","21.0711","0.0004","29.6134","0.0005","90","","90","","90","","13158.6","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H78.56 As2 Fe N12 O19.28 -","- C60 H78.564 As2 Fe N12 O19.282 -","- C480 H628.512 As16 Fe8 N96 O154.256 -","8","1","","Stefania Tomyn; Sergii I. Shylin; Dmytro Bykov; Vadim Ksenofontov; Elzbieta Gumienna-Kontecka; Volodymyr Bon; Igor O. Fritsky","Indefinitely stable iron(IV) cage complexes formed in water by air oxidation","Nature Communications","2017","8","","14099","","10.1038/ncomms14099","","","0.71073","MoKα","","0.1337","0.0529","","","0.0961","0.123","","","","","","1.005","","","","has coordinates,has disorder","203037","2020-10-21","18:00:00",""
"1547949","9.4448","0.0006","12.0118","0.0008","12.3759","0.0008","87.085","0.004","73.158","0.004","84.015","0.004","1336.17","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H32 Ca Fe N12 O13 -","- C15 H32 Ca Fe N12 O13 -","- C30 H64 Ca2 Fe2 N24 O26 -","2","1","","Stefania Tomyn; Sergii I. Shylin; Dmytro Bykov; Vadim Ksenofontov; Elzbieta Gumienna-Kontecka; Volodymyr Bon; Igor O. Fritsky","Indefinitely stable iron(IV) cage complexes formed in water by air oxidation","Nature Communications","2017","8","","14099","","10.1038/ncomms14099","","","0.71073","MoKα","","0.1793","0.0745","","","0.1217","0.1589","","","","","","0.926","","","","has coordinates","203038","2020-10-21","18:00:00",""
"1547996","31.7332","0.0011","25.7464","0.0004","20.982","0.0008","90","","132.711","0.006","90","","12596.1","1.4","120.01","0.1","120.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H77 N4 P4 Si4 Tb -","- C62 H77 N4 P4 Si4 Tb -","- C496 H616 N32 P32 Si32 Tb8 -","8","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","","1.54184","CuKα","","0.0271","0.0244","","","0.0602","0.0616","","","","","","1.02","","","","has coordinates","203110","2020-10-21","18:00:00",""
"1547997","16.9671","0.0006","17.9463","0.0005","19.155","0.0006","71.281","0.003","64.086","0.003","65.421","0.003","4701.3","0.3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C89 H124 Ce K N4 O8 P4 Si4 -","- C89 H124 Ce K N4 O8 P4 Si4 -","- C178 H248 Ce2 K2 N8 O16 P8 Si8 -","2","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.0432","0.0415","","","0.1083","0.1109","","","","","","1.023","","","","has coordinates,has disorder","203111","2020-10-21","18:00:00",""
"1547998","16.9776","0.0006","17.8949","0.0006","19.1874","0.0007","71.135","0.003","64.209","0.004","65.333","0.003","4697.6","0.3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C89 H124 K N4 O8 P4 Pr Si4 -","- C89 H124 K N4 O8 P4 Pr Si4 -","- C178 H248 K2 N8 O16 P8 Pr2 Si8 -","2","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.058","0.0558","","","0.1517","0.1554","","","","","","1.048","","","","has coordinates,has disorder","203112","2020-10-21","18:00:00",""
"1547999","15.1657","0.0005","15.2813","0.0004","21.1867","0.0005","98.753","0.002","94.959","0.002","93.489","0.002","4821","0.2","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C90 H132 K N4 O10 P4 Si4 Tb -","- C90 H132 K N4 O10 P4 Si4 Tb -","- C180 H264 K2 N8 O20 P8 Si8 Tb2 -","2","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.0675","0.0589","","","0.1545","0.1641","","","","","","1.024","","","","has coordinates,has disorder","203113","2020-10-21","18:00:00",""
"1548000","12.5621","0.0002","13.937","0.0003","21.4408","0.0004","95.8269","0.0016","101.874","0.0014","109.053","0.0017","3414.01","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H88 Ce N4 P4 Si4 -","- C67 H88 Ce N4 P4 Si4 -","- C134 H176 Ce2 N8 P8 Si8 -","2","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.0306","0.0293","","","0.0749","0.0761","","","","","","1.023","","","","has coordinates,has disorder","203115","2020-10-21","18:00:00",""
"1548001","19.1815","0.0018","19.125","0.0019","12.1896","0.0012","90","","90","","90","","4471.7","0.8","90","2","90","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C39 H60 N2 P2 Si4 U -","- C39 H60 N2 P2 Si4 U -","- C156 H240 N8 P8 Si16 U4 -","4","0.5","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","","1.54184","CuKα","","0.0948","0.0857","","","0.2269","0.2364","","","","","","1.044","","","","has coordinates,has disorder","203116","2020-10-21","18:00:00",""
"1548002","45.8315","0.0014","13.00211","0.00019","24.0634","0.0005","90","","104.354","0.003","90","","13891.9","0.6","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C69 H84 Ag N4 P4 Pr Si4 -","- C69 H84 Ag N4 P4 Pr Si4 -","- C552 H672 Ag8 N32 P32 Pr8 Si32 -","8","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.0445","0.0344","","","0.0778","0.0825","","","","","","1.019","","","","has coordinates","203117","2020-10-21","18:00:00",""
"1548003","12.6142","0.0006","13.8834","0.0005","21.4347","0.0008","95.968","0.003","101.233","0.003","109.178","0.004","3419.9","0.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H90 N4 P4 Si4 U -","- C62 H76 N4 P4 Si4 U -","- C124 H152 N8 P8 Si8 U2 -","2","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.062","0.0531","","","0.1315","0.1408","","","","","","1.038","","","","has coordinates","203118","2020-10-21","18:00:00",""
"1548004","12.9528","0.0003","14.0462","0.0005","19.2134","0.0003","95.067","0.002","92.9824","0.0018","110.18","0.003","3255.49","0.16","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C65.5 H80 N4 P4 Si4 Th -","- C65.5 H80 N4 P4 Si4 Th -","- C131 H160 N8 P8 Si8 Th2 -","2","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.0236","0.0233","","","0.0609","0.0611","","","","","","1.045","","","","has coordinates,has disorder","203119","2020-10-21","18:00:00",""
"1548005","19.2611","0.0016","19.2083","0.0018","12.23","0.0011","90","","90","","90","","4524.8","0.7","90","2","90.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C39 H60 N2 P2 Si4 Th -","- C39 H60 N2 P2 Si4 Th -","- C156 H240 N8 P8 Si16 Th4 -","4","0.5","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","","0.71073","MoKα","","0.1123","0.0828","","","0.2095","0.2391","","","","","","1.167","","","","has coordinates,has disorder","203120","2020-10-21","18:00:00",""
"1548006","45.786","0.003","12.9185","0.0007","24.1821","0.0012","90","","104.683","0.005","90","","13836.3","1.4","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C69 H84 Ag N4 P4 Si4 Tb -","- C69 H84 Ag N4 P4 Si4 Tb -","- C552 H672 Ag8 N32 P32 Si32 Tb8 -","8","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.0389","0.0341","","","0.0835","0.087","","","","","","1.021","","","","has coordinates","203121","2020-10-21","18:00:00",""
"1548369","26.009","0.004","26.009","0.004","9.8065","0.0017","90","","90","","120","","5745","1.6","173","2","173","2","","","","","","","","4","P 63/m","-P 6c","176","[Th3(bptc)3(O)(H2O)3.78][(Cl)(C5H14N3Cl)(H2O)8]","","","- C15 H7 O7.59 Th -","- C15 H7 O7.59333 Th -","- C90 H42 O45.56 Th6 -","6","0.5","","Yuxiang Li; Zaixing Yang; Yanlong Wang; Zhuanling Bai; Tao Zheng; Xing Dai; Shengtang Liu; Daxiang Gui; Wei Liu; Meng Chen; Lanhua Chen; Juan Diwu; Lingyan Zhu; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang","A mesoporous cationic thorium-organic framework that rapidly traps anionic persistent organic pollutants","Nature Communications","2017","8","","1354","","10.1038/s41467-017-01208-w","","","0.71073","MoKα","","0.0777","0.0764","","","0.1895","0.1903","","","","","","1.103","","","","has coordinates,has disorder","203932","2020-10-21","18:00:00",""
"1548375","22.4857","0.0003","22.4857","0.0003","11.0509","0.0002","90","","90","","120","","4838.84","0.13","100","2","100","0.4","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H18 Cu3 N18 O15 -","- C36 H18 Cu3 N18 O15 -","- C108 H54 Cu9 N54 O45 -","3","0.166667","","Linfeng Liang; Caiping Liu; Feilong Jiang; Qihui Chen; Linjie Zhang; Hui Xue; Hai-Long Jiang; Jinjie Qian; Daqiang Yuan; Maochun Hong","Carbon dioxide capture and conversion by an acid-base resistant metal-organic framework","Nature Communications","2017","8","","1233","","10.1038/s41467-017-01166-3","","","1.54184","CuKα","","0.065","0.0584","","","0.1757","0.1845","","","","","","1.121","","","","has coordinates,has disorder","203938","2020-10-21","18:00:00",""
"1548398","33.9594","0.0019","8.3689","0.0005","19.1807","0.0011","90","","96.408","0.002","90","","5417.2","0.5","","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H29 Cl N2 O4 S -","- C32 H29 Cl N2 O4 S -","- C256 H232 Cl8 N16 O32 S8 -","8","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.1466","0.0595","","","0.1126","0.1517","","","","","","1.022","","","","has coordinates","204072","2020-10-21","18:00:00",""
"1548399","8.9003","0.0003","13.1778","0.0004","13.2084","0.0004","108.296","0.001","102.628","0.001","99.444","0.001","1389.26","0.08","","","160.01","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H29 Cl N2 O4 S -","- C32 H29 Cl N2 O4 S -","- C64 H58 Cl2 N4 O8 S2 -","2","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.057","0.0466","","","0.0972","0.1025","","","","","","1.092","","","","has coordinates","204073","2020-10-21","18:00:00",""
"1548400","9.6736","0.0007","12.6142","0.0009","12.7109","0.0009","108.99","0.002","99.303","0.002","96.865","0.002","1422.5","0.18","","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 Br N2 O5 P -","- C29 H32 Br N2 O5 P -","- C58 H64 Br2 N4 O10 P2 -","2","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.0675","0.0521","","","0.1544","0.1701","","","","","","1.052","","","","has coordinates","204075","2020-10-21","18:00:00",""
"1548401","8.9464","0.0009","16.7038","0.0015","19.5947","0.0018","90","","90","","90","","2928.2","0.5","","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H29 Cl N2 O4 S -","- C32 H29 Cl N2 O4 S -","- C128 H116 Cl4 N8 O16 S4 -","4","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.067","0.0529","","","0.1206","0.1283","","","","","","1.047","","","","has coordinates","204076","2020-10-21","18:00:00",""
"1548402","8.9148","0.0006","16.9063","0.0012","19.8682","0.0014","90","","90","","90","","2994.5","0.4","","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H31 Cl N2 O4 S -","- C33 H31 Cl N2 O4 S -","- C132 H124 Cl4 N8 O16 S4 -","4","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.0682","0.0438","","","0.1001","0.113","","","","","","1.009","","","","has coordinates","204077","2020-10-21","18:00:00",""
"1548403","24.051","0.002","11.1897","0.0008","20.9345","0.0015","90","","93.412","0.005","90","","5624","0.7","","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 Cl N2 O4 P -","- C28 H32 Cl N2 O4 P -","- C224 H256 Cl8 N16 O32 P8 -","8","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.1833","0.1252","","","0.3351","0.3965","","","","","","1.065","","","","has coordinates","204078","2020-10-21","18:00:00",""
"1548404","10.0939","0.0006","24.1607","0.0014","9.0663","0.0005","90","","112.346","0.002","90","","2045","0.2","","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Cl2 N O2 -","- C24 H19 Cl2 N O2 -","- C96 H76 Cl8 N4 O8 -","4","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.0466","0.035","","","0.079","0.0857","","","","","","1.04","","","","has coordinates","204079","2020-10-21","18:00:00",""
"1548405","5.9996","0.0003","4.9812","0.0003","18.7925","0.001","90","","91.68","0.004","90","","561.38","0.05","","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H9 Br O S -","- C14 H9 Br O S -","- C28 H18 Br2 O2 S2 -","2","1","","Harry J. Shrives; Jose A. Fernandez-Salas; Christin Hedtke; Alexander P. Pulis; David J. Procter","Regioselective synthesis of C3 alkylated and arylated benzothiophenes","Nature Communications","2017","8","","14801","","10.1038/ncomms14801","","x-ray","1.54178","CuKα","","0.0432","0.0411","","","0.11","0.1114","","","","","","1.065","","","","has coordinates","204080","2020-10-21","18:00:00",""
"1548406","8.0485","0.0008","10.3008","0.0011","24.936","0.002","90","","90.873","0.002","90","","2067.1","0.3","","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 N2 O -","- C25 H26 N2 O -","- C100 H104 N8 O4 -","4","1","","Yan-Yun Liu; Xu-Heng Yang; Ren-Jie Song; Shenglian Luo; Jin-Heng Li","Oxidative 1,2-carboamination of alkenes with alkyl nitriles and amines toward gamma-amino alkyl nitriles","Nature Communications","2017","8","","14720","","10.1038/ncomms14720","","x-ray","0.71069","MoKα","","0.0902","0.0511","","","0.1153","0.1345","","","","","","1.028","","","","has coordinates","204081","2020-10-21","18:00:00",""