# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-03T03:30:06+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'B 1 21 1' 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
"2104235","16.176","0.002","16.514","0.002","17.876","0.002","90","","106.42","0.01","90","","4580.5","1","90","0.2","90","0.2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","hexaquanickel(II) nitrate (15-crown-5) monohydrate","","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","BS5068","Siegler, Maxime A.; Parkin, Sean; Selegue, John P.; Brock, Carolyn Pratt","The elusive [Ni(H~2~O)~2~(15-crown-5)]^2+^ cation and related co-crystals of nickel(II) hydrates and 15-crown-5","Acta Crystallographica Section B","2008","64","6","725","737","10.1107/S0108768108034058","","","0.71073","MoKα","","0.0448","0.0308","","","0.064","0.0694","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2104241","14.507","0.002","14.226","0.002","68.39","0.006","90","","96.23","0.02","90","","14031","3","90","0.2","90","0.2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","diaqua(15-crown-5)iron(II) nitrate","","- C10 H24 Fe N2 O13 -","- C10 H24 Fe N2 O13 -","- C320 H768 Fe32 N64 O416 -","32","","BS5069","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","Five more phases of the structural family [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~","Acta Crystallographica Section B","2008","64","6","738","749","10.1107/S0108768108034046","","","1.54178","CuKα","","0.0789","0.0429","","","0.1079","0.1251","","","","","","1.131","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2104242","14.597","0.002","14.135","0.002","70.201","0.005","90","","96.95","0.02","90","","14378","3","311","2","311","2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","diaqua(15-crown-5)magnesium(II) nitrate","","- C10 H24 Mg N2 O13 -","- C10 H24 Mg0.999938 N2 O13 -","- C320 H768 Mg31.998 N64 O416 -","32","","BS5069","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","Five more phases of the structural family [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~","Acta Crystallographica Section B","2008","64","6","738","749","10.1107/S0108768108034046","","","1.54178","CuKα","","0.1088","0.0581","","","0.157","0.1814","","","","","","1.511","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2104243","14.737","0.002","14.05","0.002","69.935","0.005","90","","96.99","0.02","90","","14373","3","313","2","313","2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","diaqua(15-crown-5)zinc(II) nitrate","","- C10 H24 N2 O13 Zn -","- C10 H24 N2 O13 Zn -","- C320 H768 N64 O416 Zn32 -","32","","BS5069","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","Five more phases of the structural family [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~","Acta Crystallographica Section B","2008","64","6","738","749","10.1107/S0108768108034046","","","1.54178","CuKα","","0.1038","0.0549","","","0.1584","0.1893","","","","","","1.455","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2104912","16.182","0.002","16.518","0.002","17.876","0.002","90","","106.42","0.01","90","","4583.3","1","90","2","90","2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0895","0.0422","","","0.0812","0.0948","","","","","","0.995","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104913","16.188","0.002","16.526","0.002","17.876","0.002","90","","106.41","0.01","90","","4587.4","1","100","2","100","2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0904","0.0415","","","0.0791","0.0923","","","","","","1","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104914","16.194","0.002","16.533","0.002","17.878","0.002","90","","106.4","0.01","90","","4591.8","1","110","2","110","2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0943","0.0422","","","0.0794","0.0938","","","","","","1.002","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104915","16.2","0.002","16.54","0.002","17.88","0.002","90","","106.39","0.01","90","","4596.2","1","120","2","120","2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0961","0.0422","","","0.0797","0.0944","","","","","","0.995","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104916","16.208","0.002","16.55","0.002","17.882","0.002","90","","106.38","0.01","90","","4602","1","130","2","130","2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0989","0.0423","","","0.0781","0.0929","","","","","","0.99","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104917","16.214","0.002","16.56","0.002","17.882","0.002","90","","106.36","0.01","90","","4607","1","140","2","140","2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.1049","0.0428","","","0.069","0.08","","","","","","1.109","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104918","16.222","0.002","16.571","0.002","17.882","0.002","90","","106.34","0.01","90","","4612.8","1","150","2","150","2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.1082","0.0438","","","0.083","0.1004","","","","","","0.987","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104919","16.23","0.002","16.584","0.002","17.88","0.002","90","","106.32","0.01","90","","4618.6","1","160","2","160","2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.1117","0.0446","","","0.0856","0.1043","","","","","","0.98","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104920","16.238","0.002","16.598","0.002","17.878","0.002","90","","106.28","0.01","90","","4625.2","1","170","2","170","2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.1183","0.044","","","0.0829","0.1023","","","","","","0.985","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104921","16.242","0.002","16.608","0.002","17.874","0.002","90","","106.26","0.01","90","","4628.6","1","175","2","175","2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.123","0.045","","","0.0766","0.0921","","","","","","1.055","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104922","16.246","0.002","16.618","0.002","17.87","0.002","90","","106.24","0.01","90","","4632","1","180","2","180","2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.1264","0.0454","","","0.0858","0.1064","","","","","","0.972","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104923","16.25","0.002","16.631","0.002","17.866","0.002","90","","106.2","0.01","90","","4636.6","1","185","2","185","2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.1309","0.0448","","","0.0739","0.0895","","","","","","1.048","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104924","16.254","0.002","16.644","0.002","17.86","0.002","90","","106.17","0.01","90","","4640.6","1","190","2","190","2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.1443","0.0497","","","0.1058","0.1466","","","","","","1.021","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104936","16.2526","0.0002","16.6254","0.0002","17.8851","0.0002","90","","106.233","0.001","90","","4640","0.1","185","1","185","1","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","hexaquanickel(II) nitrate (15-crown-5) monohydrate","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0547","0.0333","","","0.0721","0.0799","","","","","","1.049","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104937","16.2401","0.0002","16.6007","0.0002","17.8912","0.0002","90","","106.295","0.001","90","","4629.66","0.1","170","1","170","1","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","hexaquanickel(II) nitrate (15-crown-5) monohydrate","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0472","0.0306","","","0.0662","0.0723","","","","","","1.033","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104938","16.2238","0.0002","16.5763","0.0002","17.8917","0.0002","90","","106.344","0.001","90","","4617.18","0.1","150","0.2","150","0.2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","hexaquanickel(II) nitrate (15-crown-5) monohydrate","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0434","0.0297","","","0.0628","0.068","","","","","","1.043","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104939","16.1879","0.0002","16.5322","0.0002","17.8839","0.0002","90","","106.413","0.001","90","","4591.08","0.1","100","0.2","100","0.2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","hexaquanickel(II) nitrate (15-crown-5) monohydrate","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0354","0.0269","","","0.0578","0.0612","","","","","","1.032","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104996","31.013","0.005","12.56","0.002","56.246","0.007","90","","129.19","0.02","90","","16981","7","213","2","213","2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C280 H1008 N56 Ni28 O532 -","28","","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.2123","0.0601","","","0.1622","0.1875","","","","","","1.175","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2104997","30.632","0.003","12.594","0.001","55.955","0.005","90","","129.46","0.01","90","","16666","4","90","0.2","90","0.2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C280 H1008 N56 Ni28 O532 -","28","","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.1297","0.0469","","","0.1247","0.1538","","","","","","1.232","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2105172","27.4626","0.0004","12.1845","0.0002","40.2287","0.0006","90","","122.026","0.001","90","","11412.5","0.3","90","0.2","90","0.2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14.0001 H30 N4.0002 Ni O13.0006 -","- C280.002 H600 N80.004 Ni20 O260.012 -","20","","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.1506","0.0581","","","0.1201","0.1462","","","","","","1.106","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2108645","15.5993","0.0008","49.062","0.002","15.6099","0.0008","90","","119.896","0.002","90","","10357","0.9","100","2","100","","","","","","","","","4","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","","","- C21 H16 N2 O4 -","- C21 H16 N2 O4 -","- C504 H384 N48 O96 -","24","6","DK5096","Nespolo, Massimo; Smaha, Rebecca W.; Parkin, Sean","Zero-obliquity twin lattice quasi-symmetry threefold twinning in 1-{(<i>R</i>)-1-[(3-oxo-2-isoindolinoyl)methyl]-2-propenyl}-5-methyl-2,3-indolinedione","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620008021","","x-ray","1.54178","CuKα","","0.0497","0.044","","","0.1138","0.1211","","","","","","1.08","","","","has coordinates,has Fobs","254334","2020-10-21","18:00:00",""
"4505247","14.521","0.001","14.229","0.001","68.443","0.003","90","","96.26","0.01","90","","14057.3","1.5","90","0.2","90","0.2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","diaqua(15-crown-5)iron(II) nitrate","","","- C10 H24 Fe N2 O13 -","- C10 H24 Fe N2 O13 -","- C320 H768 Fe32 N64 O416 -","32","","","Hao, Xiang; Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[M(H2O)2(15-crown-5)](NO3)2: A System Rich in Polymorphic and Modulated Phases†","Crystal Growth & Design","2005","5","6","2225","","10.1021/cg050312j","","","0.71073","MoKα","","0.1222","0.0462","","","0.1075","0.134","","","","","","1.016","","","","has coordinates,has disorder","179587","2020-10-21","18:00:00",""
"9009514","5.7012","","5.1801","","29.265","","90","","89.99","","90","","864.277","","","","","","","","","","","","Humboldt mine, Patagonia, Arizona","6","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","","Luetheite","- Al0.635 As Cu Fe0.365 H2 O6 -","- Al0.635 As Cu Fe0.365 H2 O6 -","- Al5.08 As8 Cu8 Fe2.92 H16 O48 -","8","","","Burns, P. C.; Smith, J. V.; Steele, I. M.","Arizona porphyry copper/hydrothermal deposits I. The structure of chenevixite and luetheite Note: Luetheite-chenevixite series","Mineralogical Magazine","2000","64","","25","30","10.1180/002646100549102","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""