# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T03:58:39+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 Communications') AND volume = 4 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
"1548317","6.991","0.005","10.778","0.005","15.575","0.005","90","","90","","90","","1173.6","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 Cu N4 O5 -","- C8 H12 Cu N4 O5 -","- C32 H48 Cu4 N16 O20 -","4","1","","Carlos Carbonell; Kyriakos C. Stylianou; Jordi Hernando; Emi Evangelio; Sarah A. Barnett; Saju Nettikadan; Inhar Imaz; Daniel Maspoch","Femtolitre chemistry assisted by microfluidic pen lithography","Nature Communications","2013","4","","2173","","10.1038/ncomms3173","","","0.71073","MoKα","","0.1272","0.069","","","0.1471","0.1805","","","","","","0.913","","","","has coordinates","203780","2020-10-21","18:00:00",""
"1548318","8.768","0.005","15.22","0.005","18.86","0.005","90","","90","","90","","2516.8","1.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H36 N8 Ni O13 -","- C16 H36 N8 Ni O13 -","- C64 H144 N32 Ni4 O52 -","4","1","","Carlos Carbonell; Kyriakos C. Stylianou; Jordi Hernando; Emi Evangelio; Sarah A. Barnett; Saju Nettikadan; Inhar Imaz; Daniel Maspoch","Femtolitre chemistry assisted by microfluidic pen lithography","Nature Communications","2013","4","","2173","","10.1038/ncomms3173","","","0.71073","MoKα","","0.1234","0.0926","","","0.2144","0.2404","","","","","","1.037","","","","has coordinates","203781","2020-10-21","18:00:00",""
"1548323","9.1469","0.0018","10.368","0.002","12.092","0.002","86.48","0.03","88.75","0.03","75.41","0.03","1107.6","0.4","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 Cl18 S4 -","- C44 Cl18 S4 -","- C44 Cl18 S4 -","1","0.5","","Yuan-Zhi Tan; Bo Yang; Khaled Parvez; Akimitsu Narita; Silvio Osella; David Beljonne; Xinliang Feng; Klaus Mullen","Atomically precise edge chlorination of nanographenes and its application in graphene nanoribbons","Nature Communications","2013","4","","2646","","10.1038/ncomms3646","","","1.54178","CuKα","","0.1578","0.091","","","0.2284","0.2833","","","","","","1.066","","","","has coordinates","203786","2020-10-21","18:00:00",""
"1548324","12.861","0.002","28.435","0.004","10.629","0.003","90","","97.155","0.018","90","","3856.8","1.4","173","2","173","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C48 Cl18 -","- C48 Cl18 -","- C192 Cl72 -","4","0.5","","Yuan-Zhi Tan; Bo Yang; Khaled Parvez; Akimitsu Narita; Silvio Osella; David Beljonne; Xinliang Feng; Klaus Mullen","Atomically precise edge chlorination of nanographenes and its application in graphene nanoribbons","Nature Communications","2013","4","","2646","","10.1038/ncomms3646","","","1.54184","CuKα","","0.0988","0.0825","","","0.239","0.2542","","","","","","1.143","","","","has coordinates","203787","2020-10-21","18:00:00",""
"1548325","27.683","0.006","21.998","0.004","21.006","0.004","90","","91.15","0.03","90","","12789","4","173","2","173","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C60 Cl22 -","- C60 Cl22 -","- C480 Cl176 -","8","1","","Yuan-Zhi Tan; Bo Yang; Khaled Parvez; Akimitsu Narita; Silvio Osella; David Beljonne; Xinliang Feng; Klaus Mullen","Atomically precise edge chlorination of nanographenes and its application in graphene nanoribbons","Nature Communications","2013","4","","2646","","10.1038/ncomms3646","","","0.71073","MoKα","","0.0978","0.0651","","","0.1289","0.1397","","","","","","0.925","","","","has coordinates","203788","2020-10-21","18:00:00",""
"1548326","20.4128","0.0007","22.9777","0.0006","15.0794","0.0005","90","","108.949","0.004","90","","6689.5","0.4","173","2","173","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C60 Cl24 -","- C60 Cl24 -","- C240 Cl96 -","4","0.5","","Yuan-Zhi Tan; Bo Yang; Khaled Parvez; Akimitsu Narita; Silvio Osella; David Beljonne; Xinliang Feng; Klaus Mullen","Atomically precise edge chlorination of nanographenes and its application in graphene nanoribbons","Nature Communications","2013","4","","2646","","10.1038/ncomms3646","","","1.54184","CuKα","","0.0479","0.0369","","","0.0908","0.0959","","","","","","0.994","","","","has coordinates","203789","2020-10-21","18:00:00",""
"1548327","36.715","0.004","22.1591","0.0012","24.607","0.003","90","","116.242","0.014","90","","17956","4","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C96 H3 Cl27 -","- C96 H3 Cl27 -","- C768 H24 Cl216 -","8","1","","Yuan-Zhi Tan; Bo Yang; Khaled Parvez; Akimitsu Narita; Silvio Osella; David Beljonne; Xinliang Feng; Klaus Mullen","Atomically precise edge chlorination of nanographenes and its application in graphene nanoribbons","Nature Communications","2013","4","","2646","","10.1038/ncomms3646","","","1.54184","CuKα","","0.1245","0.062","","","0.1431","0.1681","","","","","","0.811","","","","has coordinates","203790","2020-10-21","18:00:00",""
"1548329","23.7764","0.0005","14.2049","0.0006","16.3214","0.0004","90","","90","","90","","5512.4","0.3","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C72 H120 Au Br4 K O68 -","- C72 H120 Au Br4 K O68 -","- C144 H240 Au2 Br8 K2 O136 -","2","0.5","","Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart","Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin","Nature Communications","2013","4","","1855","","10.1038/ncomms2891","","","1.54178","CuKα","","0.1097","0.1072","","","0.2817","0.2835","","","","","","1.129","","","","has coordinates","203814","2020-10-21","18:00:00",""
"1548330","16.2732","0.0009","14.186","0.0008","23.6996","0.0012","90","","90.041","0.004","90","","5471.1","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H115 Au Cl4 K O68 -","- C72 H115 Au Cl4 K O68 -","- C144 H230 Au2 Cl8 K2 O136 -","2","1","","Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart","Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin","Nature Communications","2013","4","","1855","","10.1038/ncomms2891","","","0.71073","MoKα","","0.1064","0.0674","","","0.1694","0.1867","","","","","","0.987","","","","has coordinates,has disorder","203815","2020-10-21","18:00:00",""
"1548331","15.8246","0.0004","24.5009","0.0006","19.0924","0.0005","90","","108.401","0.001","90","","7024","0.3","109","2","109.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H143 Au Br4 K O72 -","- C84 H143 Au Br4 K O72 -","- C168 H286 Au2 Br8 K2 O144 -","2","1","","Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart","Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin","Nature Communications","2013","4","","1855","","10.1038/ncomms2891","","","1.54184","CuKα","","0.0829","0.08","","","0.218","0.2225","","","","","","1.032","","","","has coordinates,has disorder","203816","2020-10-21","18:00:00",""
"1548332","15.7337","0.0003","24.3445","0.0005","19.2645","0.0004","90","","108.748","0.001","90","","6987.4","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H134 Au0.79 Cl3.36 K O92 -","- C84 H134 Au0.786 Cl3.3586 K O92 -","- C168 H268 Au1.572 Cl6.7172 K2 O184 -","2","1","","Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart","Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin","Nature Communications","2013","4","","1855","","10.1038/ncomms2891","","","1.54178","CuKα","","0.0618","0.0601","","","0.1614","0.163","","","","","","1.058","","","","has coordinates,has disorder","203817","2020-10-21","18:00:00",""
"1548333","23.6711","0.0011","23.6711","","22.7697","0.0014","90","","90","","90","","12758.3","1","100","2","100","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C144 H240 Au Br4 O124 -","- C144 H240 Au Br4 O124 -","- C288 H480 Au2 Br8 O248 -","2","0.25","","Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart","Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin","Nature Communications","2013","4","","1855","","10.1038/ncomms2891","","","0.71073","MoKα","","0.1909","0.0822","","","0.2141","0.2461","","","","","","0.832","","","","has coordinates","203818","2020-10-21","18:00:00",""
"1548334","23.6973","0.0003","23.6973","0.0003","22.8929","0.0004","90","","90","","90","","12855.8","0.3","100","2","100.01","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C144 H240 Au Cl4 O120 -","- C144 H240 Au Cl4 O120 -","- C288 H480 Au2 Cl8 O240 -","2","0.25","","Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart","Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin","Nature Communications","2013","4","","1855","","10.1038/ncomms2891","","","1.54184","CuKα","","0.0615","0.0542","","","0.1643","0.1696","","","","","","1.061","","","","has coordinates,has disorder","203819","2020-10-21","18:00:00",""
"1548335","17","0.0011","17","0.0011","17","0.0011","90","","90","","90","","4913","0.6","135","2","135","2","","","","","","","synthesis as described","5","I -4 3 m","I -4 2 3","217","","NOF-1","","- C6 H4 N6 O4 Zn -","- C6 H4 N6 O4 Zn -","- C72 H48 N72 O48 Zn12 -","12","0.25","","Stephane Diring; Dan Ohtan Wang; Chiwon Kim; Mio Kondo; Yong Chen; Susumu Kitagawa; Ken-ichiro Kamei; Shuhei Furukawa","Localized cell stimulation by nitric oxide using a photoactive porous coordination polymer platform","Nature Communications","2013","4","","2684","","10.1038/ncomms3684","","","0.71075","MoKα","","0.0747","0.0746","","","0.1731","0.1731","","","","","","1.231","","","","has coordinates","203820","2020-10-21","18:00:00",""
"1548336","23.132","0.003","23.132","0.003","15.528","0.003","90","","90","","120","","7195.7","1.9","243","2","243","2","","","","","","","synthesis as described","5","R -3 m :H","-R 3 2""","166","","NOF-2 ?","","- C8 H8 N6 O4 Zn -","- C8 H8 N6 O4 Zn -","- C144 H144 N108 O72 Zn18 -","18","0.5","","Stephane Diring; Dan Ohtan Wang; Chiwon Kim; Mio Kondo; Yong Chen; Susumu Kitagawa; Ken-ichiro Kamei; Shuhei Furukawa","Localized cell stimulation by nitric oxide using a photoactive porous coordination polymer platform","Nature Communications","2013","4","","2684","","10.1038/ncomms3684","","","0.710735","MoKα","","0.0589","0.0577","","","0.1767","0.1777","","","","","","1.143","","","","has coordinates,has disorder","203821","2020-10-21","18:00:00",""
"1548337","14.268","0.003","4.5707","0.0011","10.746","0.003","90","","90","","90","","700.8","0.3","123","2","123","2","","","","","","","synthesis as described","5","P c a 21","P 2c -2ac","29","","NOF-3","","- C4 H3 N3 O4 Zn -","- C4 H3 N3 O4 Zn -","- C16 H12 N12 O16 Zn4 -","4","1","","Stephane Diring; Dan Ohtan Wang; Chiwon Kim; Mio Kondo; Yong Chen; Susumu Kitagawa; Ken-ichiro Kamei; Shuhei Furukawa","Localized cell stimulation by nitric oxide using a photoactive porous coordination polymer platform","Nature Communications","2013","4","","2684","","10.1038/ncomms3684","","","0.71075","MoKα","","0.0175","0.0172","","","0.0465","0.0468","","","","","","1.075","","","","has coordinates","203822","2020-10-21","18:00:00",""