# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-18T09:36:48+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 'Nanoscale') AND volume = 6 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
"1514150","18.65","0.0017","18.65","0.0017","6.8329","0.0009","90","","90","","120","","2058.2","0.4","300","","300","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C30 H30 Cu3 O24 -","- C30 H24 Cu3 O21 -","- C60 H48 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.0451","0.0318","","0.0847","0.0808","0.0847","","","","","","0.9395","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514151","18.695","0.003","18.695","0.003","6.9489","0.0009","90","","90","","120","","2103.3","0.5","293","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C34.5 H36 Cu3 O22.5 -","- C33 H30 Cu3 O21 -","- C66 H60 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.116","0.073","","0.1452","0.0797","0.0797","","","","","","1.0888","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514152","18.7034","0.0003","18.7034","0.0003","6.878","0.0001","90","","90","","120","","2083.69","0.06","300","","300","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C33.5 H32 Cu3 O21.5 -","- C33 H30 Cu3 O21 -","- C66 H60 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.049","0.0322","","0.0823","0.0762","0.0823","","","","","","0.9536","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514153","18.6631","0.0014","18.6631","0.0014","6.9006","0.0005","90","","90","","120","","2081.5","0.3","293","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C35 H38 Cu3 O23 -","- C33 H30 Cu3 O21 -","- C66 H60 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.4859","synchrotron","","0.062","0.0407","","0.0742","0.0467","0.0467","","","","","","1.1519","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514154","18.5495","0.0013","18.5495","0.0013","6.8063","0.0005","90","","90","","120","","2028.2","0.3","293","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C38 H50 Cu3 O26 -","- C33 H30 Cu3 O21 -","- C66 H60 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.4859","synchrotron","","0.0912","0.0673","","0.1138","0.0925","0.0925","","","","","","1.2169","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514155","18.577","0.002","18.577","0.002","6.8406","0.0009","90","","90","","120","","2044.4","0.4","293","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C33 H32 Cu3 O22 -","- C30 H24 Cu3 O21 -","- C60 H48 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.4859","synchrotron","","0.1221","0.0678","","0.2159","0.1562","0.2159","","","","","","0.9858","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514156","18.459","0.002","18.459","0.002","6.7489","0.0009","90","","90","","120","","1991.5","0.4","293","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C36 H40 Cu3 O23 -","- C30 H24 Cu3 O21 -","- C60 H48 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.4859","synchrotron","","0.1441","0.0819","","0.2566","0.2222","0.2566","","","","","","1.0066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514157","18.623","0.002","18.623","0.002","6.8973","0.0007","90","","90","","120","","2071.6","0.4","298","","298","","","","0.1","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C30 H37 Cu3 O27.5 -","- C30 H18 Cu3 O21 -","- C60 H36 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.1365","0.063","","0.1262","0.0715","0.0715","","","","","","1.1183","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514158","18.5488","0.0013","18.5488","0.0013","6.9375","0.0004","90","","90","","120","","2067.1","0.2","298","","298","","","","0.3","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C37 H32.5 Cu3 N3.5 O20 -","- C31.998 H25.002 Cu3 N0.999 O20.001 -","- C63.996 H50.004 Cu6 N1.998 O40.002 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.0835","0.0558","","0.0994","0.0654","0.0654","","","","","","0.9979","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514159","18.5877","0.0005","18.5877","0.0005","6.874","0.0002","90","","90","","120","","2056.8","0.1","150","","150","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C35 H31 Cu3 N2.5 O21 -","- C31.998 H24 Cu3 N0.999 O20.001 -","- C63.996 H48 Cu6 N1.998 O40.002 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.0798","0.0574","","0.1599","0.1529","0.1599","","","","","","0.983","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514160","18.626","0.003","18.626","0.003","6.8687","0.0015","90","","90","","120","","2063.7","0.7","150","","150","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C33 H35 Cu3 N O21.5 -","- C30.999 H29.001 Cu3 N0.999 O20.001 -","- C61.998 H58.002 Cu6 N1.998 O40.002 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.1","0.0619","","0.1534","0.1356","0.1534","","","","","","0.9335","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514161","18.577","0.003","18.577","0.003","6.841","0.001","90","","90","","120","","2044.6","0.6","150","","150","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C32 H32 Cu3 N O22 -","- C31.998 H28.996 Cu3 N0.999 O20.001 -","- C63.996 H57.992 Cu6 N1.998 O40.002 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.0863","0.0618","","0.1497","0.1361","0.1497","","","","","","0.8787","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514162","18.542","0.0012","18.542","0.0012","6.8114","0.0005","90","","90","","120","","2028.1","0.2","300","","300","","","","0.7","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C38 H40 Cu3 O25 -","- C30 H18 Cu3 O21 -","- C60 H36 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.184","0.0939","","0.1799","0.1018","0.1018","","","","","","1.0948","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514163","18.2591","0.0016","18.2591","0.0016","6.6274","0.0006","90","","90","","120","","1913.5","0.3","300","","300","","","","0.2","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C42 H48 Cu3 O27 -","- C30 H18 Cu3 O21 -","- C60 H36 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.1949","0.1102","","0.2535","0.1332","0.1332","","","","","","1.1122","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514164","17.991","0.003","17.991","0.003","6.5371","0.0011","90","","90","","120","","1832.4","0.5","300","","300","","","","3","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C34 H32 Cu3 O23 -","- C30 H18 Cu3 O21 -","- C60 H36 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.1868","0.1204","","0.2319","0.1342","0.1342","","","","","","1.1803","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514165","26.315","0.003","26.315","0.003","26.315","0.003","90","","90","","90","","18223","4","298","","298","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C18 H26 Cu3 O22 -","- C18 H6 Cu3 O15 -","- C288 H96 Cu48 O240 -","16","0.0833333","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.0397","0.0354","","0.0896","0.0879","0.0896","","","","","","0.903","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514166","26.37","0.003","26.37","0.003","26.37","0.003","90","","90","","90","","18337","4","298","","298","","","","0.2","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C18 H38 Cu3 O28 -","- C18 H6 Cu3 O15 -","- C288 H96 Cu48 O240 -","16","0.0833333","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.0764","0.051","","0.0869","0.0556","0.0556","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514329","8.117","0.003","20.123","0.008","20.541","0.008","90","","90","","90","","3355","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H16 Cl2 O Pd S2 -","- C15 H16 Cl2 O Pd S2 -","- C120 H128 Cl16 O8 Pd8 S16 -","8","1","","Joshi, Hemant; Sharma, Kamal Nayan; Sharma, Alpesh K; Singh, Ajai Kumar","Palladium-phosphorus/sulfur nanoparticles (NPs) decorated on graphene oxide: synthesis using the same precursor for NPs and catalytic applications in Suzuki-Miyaura coupling.","Nanoscale","2014","6","9","4588","4597","10.1039/c3nr06586c","","","0.71073","MoKα","","0.0547","0.0426","","","0.1124","0.1191","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516035","15.9929","0.0008","21.5942","0.0012","21.8042","0.0011","66.888","0.003","74.051","0.003","73.462","0.003","6524.8","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Au24(SR)20","","","- C220 H300 Au24 S20 -","- C220 H300 Au24 S20 -","- C220 H300 Au24 S20 -","1","0.5","","Das, Anindita; Li, Tao; Li, Gao; Nobusada, Katsuyuki; Zeng, Chenjie; Rosi, Nathaniel L.; Jin, Rongchao","Crystal structure and electronic properties of a thiolate-protected Au24 nanocluster.","Nanoscale","2014","6","12","6458","6462","10.1039/c4nr01350f","","","1.54178","CuKα","","0.0916","0.0545","","","0.1578","0.1944","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517223","31.07","0.006","41.338","0.008","48.828","0.01","90","","97.22","0.03","90","","62216","2","223","2","223","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C360 H426 Br24 Cd24 N24 Nd8 O144 -","- C360 H426 Br24 Cd24 N24 Nd8 O144 -","- C1440 H1704 Br96 Cd96 N96 Nd32 O576 -","4","1","","Yang, Xiaoping; Schipper, Desmond; Zhang, Lijie; Yang, Keqin; Huang, Shaoming; Jiang, Jijun; Su, Chengyong; Jones, Richard A.","Anion dependent self-assembly of 56-metal Cd-Ln nanoclusters with enhanced near-infrared luminescence properties.","Nanoscale","2014","6","18","10569","10573","10.1039/c4nr03075c","","","0.710747","MoKα","","0.211","0.0953","","","0.2139","0.2475","","","","","","0.959","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517224","25.51","0.005","42.22","0.008","44.45","0.009","66.84","0.03","87.11","0.03","77.59","0.03","42956","18","223","2","223","1","","","","","","","","8","P -1","-P 1","2","","","","- C550 H639 Br40 Cd44 Cl31 N40 Nd12 O190 -","- C550 H639 Br40 Cd44 Cl31 N40 Nd12 O190 -","- C1100 H1278 Br80 Cd88 Cl62 N80 Nd24 O380 -","2","1","","Yang, Xiaoping; Schipper, Desmond; Zhang, Lijie; Yang, Keqin; Huang, Shaoming; Jiang, Jijun; Su, Chengyong; Jones, Richard A.","Anion dependent self-assembly of 56-metal Cd-Ln nanoclusters with enhanced near-infrared luminescence properties.","Nanoscale","2014","6","18","10569","10573","10.1039/c4nr03075c","","","0.710747","MoKα","","0.2329","0.0971","","","0.2265","0.2468","","","","","","1.073","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1517225","25.508","0.005","42.215","0.008","43.977","0.009","66.85","0.03","86.45","0.03","77.32","0.03","42465","18","223","2","223","1","","","","","","","","8","P -1","-P 1","2","","","","- C1100 H1278 Br80 Cd88 Cl62 N80 O380 Yb24 -","- C1100 H1278 Br80 Cd88 Cl62 N80 O380 Yb24 -","- C1100 H1278 Br80 Cd88 Cl62 N80 O380 Yb24 -","1","0.5","","Yang, Xiaoping; Schipper, Desmond; Zhang, Lijie; Yang, Keqin; Huang, Shaoming; Jiang, Jijun; Su, Chengyong; Jones, Richard A.","Anion dependent self-assembly of 56-metal Cd-Ln nanoclusters with enhanced near-infrared luminescence properties.","Nanoscale","2014","6","18","10569","10573","10.1039/c4nr03075c","","","0.710747","MoKα","","0.214","0.092","","","0.1949","0.2554","","","","","","1.104","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517226","30.073","0.006","41.754","0.008","48.731","0.01","90","","96.21","0.03","90","","60831","2","223","2","223","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C360 H426 Br24 Cd24 N24 O144 Yb8 -","- C360 H426 Br24 Cd24 N24 O144 Yb8 -","- C1440 H1704 Br96 Cd96 N96 O576 Yb32 -","4","1","","Yang, Xiaoping; Schipper, Desmond; Zhang, Lijie; Yang, Keqin; Huang, Shaoming; Jiang, Jijun; Su, Chengyong; Jones, Richard A.","Anion dependent self-assembly of 56-metal Cd-Ln nanoclusters with enhanced near-infrared luminescence properties.","Nanoscale","2014","6","18","10569","10573","10.1039/c4nr03075c","","","0.710747","MoKα","","0.1869","0.0923","","","0.2092","0.2294","","","","","","1.119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518029","16.751","0.005","16.92","0.005","17.211","0.005","73.79","0.004","77.398","0.004","62.104","0.003","4118","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C125 H95 Au25 N Se19 -","- C119 H90 Au25 N Se18 -","- C119 H90 Au25 N Se18 -","1","0.5","","Song, Yongbo; Zhong, Juan; Yang, Sha; Wang, Shuxin; Cao, Tiantian; Zhang, Jun; Li, Peng; Hu, Daqiao; Pei, Yong; Zhu, Manzhou","Crystal structure of Au25(SePh)18 nanoclusters and insights into their electronic, optical and catalytic properties.","Nanoscale","2014","6","22","13977","13985","10.1039/c4nr04631e","","","0.71073","MoKα","","0.1233","0.0656","","","0.1897","0.2208","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518123","11.3662","0.0002","12.5415","0.0003","32.7762","0.0008","90","","91.676","0.002","90","","4670.22","0.18","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C96 H108 Ni6 S12 -","- C96 H108 Ni6 S12 -","- C192 H216 Ni12 S24 -","2","0.5","","Zhu, Min; Zhou, Shiming; Yao, Chuanhao; Liao, Lingwen; Wu, Zhikun","Reduction-resistant and reduction-catalytic double-crown nickel nanoclusters.","Nanoscale","2014","6","23","14195","14199","10.1039/c4nr04981k","","","1.54184","CuKα","","0.1052","0.0922","","","0.2378","0.2468","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""