# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-08T05:06:59+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 'Journal of Applied Crystallography') AND volume = 40 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
"2300119","6.88","","11.91","","18.6","","90","","90","","90","","1524.1","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","?","- C64 H128 -","- C64 H128 -","","","DB5009","Immirzi, Attilio; Alfano, Davide; Tedesco, Consiglia","New solutions to the problems of chain orientation and chain continuity in structure analysis of fibrous polymers. A reconsideration of the structure of polyisobutene","Journal of Applied Crystallography","2007","40","1","10","15","10.1107/S0021889806044955","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300120","8.446","0.001","9.123","0.001","11.779","0.002","72.26","0.01","80.94","0.01","67.33","0.01","796.8","0.2","23","1","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Fe2 N12 S8 -","- C24 H22 Fe2 N12 S8 -","- C24 H22 Fe2 N12 S8 -","1","0.5","DB5014","Trzop, Elzbieta; Buron-Le Cointe, Marylise; Cailleau, Hervé; Toupet, Loïc; Molnar, Gabor; Bousseksou, Azzedine; Gaspar, Ana B.; Real, José Antonio; Collet, Eric","Structural investigation of the photoinduced spin conversion in the dinuclear compound {[Fe(bt)(NCS)~2~]~2~(bpym)}: toward controlled multi-stepped molecular switches","Journal of Applied Crystallography","2007","40","1","158","164","10.1107/S002188980605028X","","","0.71069","MoKα","","0.0623","0.0365","","","0.086","0.0903","","","","","","0.918","","","","has coordinates,has Fobs","301808","2025-08-19","18:56:13",""
"2300121","8.6103","0.0007","9.2628","0.0008","11.9305","0.0009","72.903","0.007","80.057","0.007","66.911","0.008","834.84","0.13","180","1","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Fe2 N12 S8 -","- C24 H22 Fe2 N12 S8 -","- C24 H22 Fe2 N12 S8 -","1","0.5","DB5014","Trzop, Elzbieta; Buron-Le Cointe, Marylise; Cailleau, Hervé; Toupet, Loïc; Molnar, Gabor; Bousseksou, Azzedine; Gaspar, Ana B.; Real, José Antonio; Collet, Eric","Structural investigation of the photoinduced spin conversion in the dinuclear compound {[Fe(bt)(NCS)~2~]~2~(bpym)}: toward controlled multi-stepped molecular switches","Journal of Applied Crystallography","2007","40","1","158","164","10.1107/S002188980605028X","","","0.71069","MoKα","","0.1371","0.0387","","","0.0635","0.0727","","","","","","0.619","","","","has coordinates,has Fobs","301808","2025-08-19","18:56:13",""
"2300122","8.727","0.001","9.385","0.002","12.041","0.002","73.04","0.02","79.43","0.01","66.6","0.02","863.1","0.3","250","1","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Fe2 N12 S8 -","- C24 H22 Fe2 N12 S8 -","- C24 H22 Fe2 N12 S8 -","1","0.5","DB5014","Trzop, Elzbieta; Buron-Le Cointe, Marylise; Cailleau, Hervé; Toupet, Loïc; Molnar, Gabor; Bousseksou, Azzedine; Gaspar, Ana B.; Real, José Antonio; Collet, Eric","Structural investigation of the photoinduced spin conversion in the dinuclear compound {[Fe(bt)(NCS)~2~]~2~(bpym)}: toward controlled multi-stepped molecular switches","Journal of Applied Crystallography","2007","40","1","158","164","10.1107/S002188980605028X","","","0.71069","MoKα","","0.1747","0.0551","","","0.1385","0.1603","","","","","","0.835","","","","has coordinates,has Fobs","301808","2025-08-19","18:56:13",""
"2300123","8.581","0.002","9.196","0.002","11.948","0.003","73.34","0.02","80.53","0.02","67.24","0.02","831.4","0.4","23","1","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Fe2 N12 S8 -","- C24 H22 Fe2 N12 S8 -","- C24 H22 Fe2 N12 S8 -","1","0.5","DB5014","Trzop, Elzbieta; Buron-Le Cointe, Marylise; Cailleau, Hervé; Toupet, Loïc; Molnar, Gabor; Bousseksou, Azzedine; Gaspar, Ana B.; Real, José Antonio; Collet, Eric","Structural investigation of the photoinduced spin conversion in the dinuclear compound {[Fe(bt)(NCS)~2~]~2~(bpym)}: toward controlled multi-stepped molecular switches","Journal of Applied Crystallography","2007","40","1","158","164","10.1107/S002188980605028X","","","0.71069","MoKα","","0.0967","0.0648","","","0.1429","0.153","","","","","","1.094","","","","has coordinates,has Fobs","301808","2025-08-19","18:56:13",""
"2300124","8.642","0.001","9.224","0.002","12.05","0.003","73.63","0.02","80.29","0.01","67.25","0.02","848","0.3","23","1","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Fe2 N12 S8 -","- C24 H22 Fe2 N12 S8 -","- C24 H22 Fe2 N12 S8 -","1","0.5","DB5014","Trzop, Elzbieta; Buron-Le Cointe, Marylise; Cailleau, Hervé; Toupet, Loïc; Molnar, Gabor; Bousseksou, Azzedine; Gaspar, Ana B.; Real, José Antonio; Collet, Eric","Structural investigation of the photoinduced spin conversion in the dinuclear compound {[Fe(bt)(NCS)~2~]~2~(bpym)}: toward controlled multi-stepped molecular switches","Journal of Applied Crystallography","2007","40","1","158","164","10.1107/S002188980605028X","","","0.71069","MoKα","","0.0634","0.0401","","","0.1106","0.1162","","","","","","1.054","","","","has coordinates,has Fobs","301808","2025-08-19","18:56:13",""
"2300125","12.68581","0.00034","8.18939","0.0002","17.7934","0.0005","90","","106.011","0.0029","90","","1776.83","0.09","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sulindac","2-[6-fluoro-2-methyl-3- [(4-methylsulfinylphenyl)methylidene]inden-1-yl]- acetic acid","","- C20 H17 F O3 S -","- C20 H17 F O3 S -","- C80 H68 F4 O12 S4 -","4","1","","Llinàs, Antonio; Box, Karl J.; Burley, Jonathan C.; Glen, Robert C.; Goodman, Jonathan M.","A new method for the reproducible generation of polymorphs: two forms of sulindac with very different solubilities","Journal of Applied Crystallography","2007","40","2","379","381","10.1107/S0021889807007832","powder diffraction","x-ray","1.78892","CoKα","","","","","","","","0.0749","","1.67","","","","","","","has coordinates,has Fobs","301808","2025-08-19","18:56:13",""
"2300126","21.5111","0.0007","21.5111","0.0007","13.2377","0.0009","90","","90","","90","","6125.4","0.5","298","2","298","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C320 H224 N32 O16 -","16","1","KK5009","Zeng, He-Ping; Wang, Ting-Ting; Xu, Dan-Feng; Cai, Yue-Peng; Chen, Dong-Feng","Synthesis, crystal structure and biological activity of 2-[2-(quinolin-2-yl)vinyl]-8-hydroxyquinoline and 2-[2-(quinolin-4-yl)vinyl]-8-hydroxyquinoline","Journal of Applied Crystallography","2007","40","3","471","475","10.1107/S0021889807007704","","","0.71073","MoKα","","0.1103","0.0534","","","0.1359","0.1682","","","","","","1.002","","","","has coordinates,has Fobs","301808","2025-08-19","18:56:13",""
"2300127","10.724","0.0006","8.9019","0.0005","16.1894","0.0008","90","","102.039","0.004","90","","1511.51","0.14","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C80 H56 N8 O4 -","4","1","KK5009","Zeng, He-Ping; Wang, Ting-Ting; Xu, Dan-Feng; Cai, Yue-Peng; Chen, Dong-Feng","Synthesis, crystal structure and biological activity of 2-[2-(quinolin-2-yl)vinyl]-8-hydroxyquinoline and 2-[2-(quinolin-4-yl)vinyl]-8-hydroxyquinoline","Journal of Applied Crystallography","2007","40","3","471","475","10.1107/S0021889807007704","","","0.71073","MoKα","","0.0688","0.043","","","0.1012","0.1163","","","","","","1.05","","","","has coordinates,has Fobs","301808","2025-08-19","18:56:13",""
"2300128","5.174713","0.000029","7.87563","0.00005","6.49517","0.00005","90","","90","","90","","264.705","0.003","300","","","","","","","","","","Formed by reacting MgO with H2SO4 in excess then drying for 24 hr at 400 deg C.","3","C m c m","-C 2c 2","63","magnesium sulfate","alpha-magnesium sulfate","","- Mg O4 S -","- Mg O4 S -","- Mg4 O16 S4 -","4","0.25","DB5013","Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Brand, H. E. A.; Knight, K. S.","Crystal structures and thermal expansion of α-MgSO~4~ and β-MgSO~4~ from 4.2 to 300K by neutron powder diffraction","Journal of Applied Crystallography","2007","40","4","761","770","10.1107/S0021889807029937","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300129","5.168629","0.000033","7.86781","0.00005","6.46674","0.00005","90","","90","","90","","262.975","0.003","4","","","","","","","","","","Formed by reacting MgO with H2SO4 in excess then drying for 24 hr at 400C.","3","C m c m","-C 2c 2","63","magnesium sulfate","alpha-magnesium sulfate","","- Mg O4 S -","- Mg O4 S -","- Mg4 O16 S4 -","4","0.25","DB5013","Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Brand, H. E. A.; Knight, K. S.","Crystal structures and thermal expansion of α-MgSO~4~ and β-MgSO~4~ from 4.2 to 300K by neutron powder diffraction","Journal of Applied Crystallography","2007","40","4","761","770","10.1107/S0021889807029937","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300130","4.74599","0.00007","8.5831","0.0001","6.70934","0.0001","90","","90","","90","","273.307","0.007","300","","","","","","","","","","Sigma Ultra MgSO4 M7506 dried at 400 deg C for 24 hr.","3","P b n m","-P 2c 2ab","62","magnesium sulfate","alpha-magnesium sulfate","","- Mg O4 S -","- Mg O4 S -","- Mg4 O16 S4 -","4","0.5","DB5013","Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Brand, H. E. A.; Knight, K. S.","Crystal structures and thermal expansion of α-MgSO~4~ and β-MgSO~4~ from 4.2 to 300K by neutron powder diffraction","Journal of Applied Crystallography","2007","40","4","761","770","10.1107/S0021889807029937","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300131","4.73431","0.00008","8.58171","0.00012","6.67266","0.00011","90","","90","","90","","271.1","0.007","4","","","","","","","","","","Sigma Ultra MgSO4 M7506 dried at 400 deg C for 24 hr.","3","P b n m","-P 2c 2ab","62","magnesium sulfate","alpha-magnesium sulfate","","- Mg O4 S -","- Mg O4 S -","- Mg4 O16 S4 -","4","0.5","DB5013","Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Brand, H. E. A.; Knight, K. S.","Crystal structures and thermal expansion of α-MgSO~4~ and β-MgSO~4~ from 4.2 to 300K by neutron powder diffraction","Journal of Applied Crystallography","2007","40","4","761","770","10.1107/S0021889807029937","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300132","6.8558","0.0001","6.8558","0.0001","16.9375","0.0001","90","","90","","90","","796.096","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C40 H48 O8 -","- C10 H12 O2 -","- C40 H48 O8 -","4","0.5","HE5379","Brunelli, Michela; Neumann, Marcus A.; Fitch, Andrew N.; Mora, Asiloé J.","Temperature phase changes in solid bicyclo[3.3.1]nonane-2,6-dione and bicyclo[3.3.1]nonane-3,7-dione from powder X-ray diffraction data","Journal of Applied Crystallography","2007","40","4","702","709","10.1107/S0021889807028087","","","","","","","","","","","","","","","","","","","","","has coordinates","208198","2020-10-21","18:00:00",""
"2300133","7.3803","","10.382","","9.7508","","90","","95.359","","90","","743.863","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H48 O8 -","- C8.5 H12 O2 -","- C34 H48 O8 -","4","0.5","HE5379","Brunelli, Michela; Neumann, Marcus A.; Fitch, Andrew N.; Mora, Asiloé J.","Temperature phase changes in solid bicyclo[3.3.1]nonane-2,6-dione and bicyclo[3.3.1]nonane-3,7-dione from powder X-ray diffraction data","Journal of Applied Crystallography","2007","40","4","702","709","10.1107/S0021889807028087","","","","","","","","","","","","","","","","","","","","","has coordinates","208198","2020-10-21","18:00:00",""
"2300134","5.7523","0.0002","5.7523","0.0002","7.0634","0.0003","90","","90","","120","","202.408","0.013","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","?","- Ba3 Nb2 Ni O9 -","- Ba3 Nb2 Ni O9 -","","","HX5056","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300135","4.07307","0.00018","4.07307","0.00018","4.07307","0.00018","90","","90","","90","","67.572","0.009","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","?","- Ba Nb0.67 Ni0.33 O3 -","- Ba Nb0.67 Ni0.33 O3 -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300136","5.7657","0.0003","5.7657","0.0003","7.0444","0.0007","90","","90","","120","","202.81","0.03","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","?","- Ba3 Nb2 Ni O9 -","- Ba3 Nb2 Ni O9 -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300137","4.07013","0.00019","4.07013","0.00019","4.07013","0.00019","90","","90","","90","","67.426","0.005","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","?","- Ba Nb0.67 Ni0.33 O3 -","- Ba Nb0.67 Ni0.33 O3 -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300138","5.7532","0.0002","5.7532","0.0002","7.0641","0.0003","90","","90","","120","","202.491","0.013","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","?","- Ba3 Nb2 Ni O9 -","- Ba3 Nb2 Ni O9 -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300139","4.07348","0.00019","4.07348","0.00019","4.07348","0.00019","90","","90","","90","","67.592","0.01","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","?","- Ba Nb0.67 Ni0.33 O3 -","- Ba Nb0.67 Ni0.33 O3 -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300140","5.7675","0.0004","5.7675","0.0004","7.0567","0.0009","90","","90","","120","","203.29","0.03","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","?","- Ba3 Nb2 Ni O9 -","- Ba3 Nb2 Ni O9 -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300141","4.0712","0.0003","4.0712","0.0003","4.0712","0.0003","90","","90","","90","","67.479","0.013","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","?","- Ba Nb0.67 Ni0.33 O3 -","- Ba Nb0.67 Ni0.33 O3 -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300142","5.7893","0.0005","5.7893","0.0005","7.1158","0.0009","90","","90","","120","","206.54","0.04","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","?","- Ba3 Nb2 O9 Zn -","- Ba3 Nb2 O9 Zn -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300143","4.07045","0.00009","4.07045","0.00009","4.07045","0.00009","90","","90","","90","","67.442","0.005","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","?","- Ba Nb0.438078 O3 Zn0.561922 -","- Ba Nb0.438078 O3 Zn0.561922 -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300144","5.7665","0.0003","5.7665","0.0003","7.058","0.0007","90","","90","","120","","203.25","0.03","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","?","- Ba3 Nb2 O9 Zn -","- Ba3 Nb2 O9 Zn -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300145","4.093113","0.000009","4.093113","0.000009","4.093113","0.000009","90","","90","","90","","68.5743","0.0003","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","?","- Ba Nb0.679 O3 Zn0.321 -","- Ba Nb0.679 O3 Zn0.321 -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300146","4.09518","0.00007","4.09518","0.00007","4.09518","0.00007","90","","90","","90","","68.678","0.002","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","?","- Ba Nb0.688657 O3 Zn0.34 -","- Ba Nb0.688657 O3 Zn0.34 -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300147","4.07207","0.00006","4.07207","0.00006","4.07207","0.00006","90","","90","","90","","67.5221","0.0017","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","?","- Ba Nb0.67 O3 Zn0.33 -","- Ba Nb0.67 O3 Zn0.33 -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300148","5.74601","0.00009","5.74601","0.00009","7.06047","0.00017","90","","90","","120","","201.882","0.007","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","?","- Ba3 Nb2 Ni O9 -","- Ba3 Nb2 Ni O9 -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300149","5.762","0.0006","5.762","0.0006","7.0764","0.0009","90","","90","","120","","203.46","0.04","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","?","- Ba3 Nb2 Ni O9 -","- Ba3 Nb2 Ni O9 -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300150","5.7645","0.0011","5.7645","0.0011","7.092","0.0018","90","","90","","120","","204.09","0.08","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","?","- Ba3 Nb2 Ni O9 -","- Ba3 Nb2 Ni O9 -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300151","4.06541","0.00004","4.06541","0.00004","4.06541","0.00004","90","","90","","90","","67.1913","0.0011","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","?","- Ba Nb0.67 Ni0.33 O3 -","- Ba Nb0.67 Ni0.33 O3 -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300152","4.06857","0.0001","4.06857","0.0001","4.06857","0.0001","90","","90","","90","","67.348","0.003","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","?","- Ba Nb0.67 Ni0.33 O3 -","- Ba Nb0.67 Ni0.33 O3 -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300153","4.07191","0.00009","4.07191","0.00009","4.07191","0.00009","90","","90","","90","","67.514","0.004","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","?","- Ba Nb0.67 Ni0.33 O3 -","- Ba Nb0.67 Ni0.33 O3 -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300154","5.7654","0.001","5.7654","0.001","7.091","0.0016","90","","90","","120","","204.13","0.07","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","?","- Ba3 Nb2 O9 Zn -","- Ba3 Nb2 O9 Zn -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300155","5.74666","0.00005","5.74666","0.00005","7.05943","0.00008","90","","90","","120","","201.898","0.003","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","?","- Ba3 Nb2 O9 Zn -","- Ba3 Nb2 O9 Zn -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300156","5.7462","0.00006","5.7462","0.00006","7.05894","0.00009","90","","90","","120","","201.851","0.004","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","?","- Ba3 Nb2 O9 Zn -","- Ba3 Nb2 O9 Zn -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300158","4.06839634","","4.06839634","","4.06839634","","90","","90","","90","","67.339","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","?","- Ba Nb0.438078 O3 Zn0.561922 -","- Ba Nb0.438078 O3 Zn0.561922 -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300159","4.066","0.00005","4.066","0.00005","4.066","0.00005","90","","90","","90","","67.2206","0.0014","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","?","- Ba Nb0.438078 O3 Zn0.561922 -","- Ba Nb0.438078 O3 Zn0.561922 -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300160","5.7981","0.0006","5.7981","0.0006","11.7947","0.0012","90","","90","","120","","343.39","0.06","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","?","- Ba5 Nb4 O15 -","- Ba5 Nb4 O15 -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300161","6.22215","0.00008","6.22215","","11.37072","0.00016","90","","90","","120","","381.241","0.007","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Mn O3 Y -","- Mn O3 Y -","- Mn6 O18 Y6 -","6","0.5","KO5041","Jeong, Il-Kyoung; Hur, N.; Proffen, Th.","High-temperature structural evolution of hexagonal multiferroic YMnO~3~ and YbMnO~3~","Journal of Applied Crystallography","2007","40","4","730","734","10.1107/S0021889807025101","powder diffraction","neutron","","","","","","","","","","0.13213","","2.34","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300162","3.63011","0.00004","3.63011","","11.3535","0.00017","90","","90","","120","","129.569","0.002","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Mn O3 Y -","- Mn O3 Y -","- Mn2 O6 Y2 -","2","0.0833333","KO5041","Jeong, Il-Kyoung; Hur, N.; Proffen, Th.","High-temperature structural evolution of hexagonal multiferroic YMnO~3~ and YbMnO~3~","Journal of Applied Crystallography","2007","40","4","730","734","10.1107/S0021889807025101","powder diffraction","neutron","","","","","","","","","","0.25865","","3","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300163","6.132019","0.000033","6.132019","","11.38556","0.00012","90","","90","","120","","370.759","0.004","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Mn O3 Yb -","- Mn O3 Yb -","- Mn6 O18 Yb6 -","6","0.5","KO5041","Jeong, Il-Kyoung; Hur, N.; Proffen, Th.","High-temperature structural evolution of hexagonal multiferroic YMnO~3~ and YbMnO~3~","Journal of Applied Crystallography","2007","40","4","730","734","10.1107/S0021889807025101","powder diffraction","neutron","","","","","","","","","","0.11142","","3.21","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300164","10.1545","0.0003","19.0923","0.0006","15.0033","0.0005","90","","91.566","0.003","90","","2907.64","0.16","80","2","80","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Cl2 Fe N7 O8 -","- C27 H33 Cl2 Fe N7 O8 -","- C108 H132 Cl8 Fe4 N28 O32 -","4","1","","Seredyuk, Maksym; Gaspar, Ana B.; Kusz, Joachim; Bednarek, Gabriela; Gütlich, Philipp","Variable-temperature X-ray crystal structure determinations of {Fe[tren(6-Mepy)~3~]}(ClO~4~)~2~ and {Zn[tren(6-Mepy)~3~]}(ClO~4~)~2~ compounds: correlation of the structural data with magnetic and Mössbauer spectroscopy data","Journal of Applied Crystallography","2007","40","6","1135","1145","10.1107/S0021889807048571","","","0.71073","MoKα","","0.0454","0.0327","","","0.0993","0.1042","","","","","","1.006","","","","has coordinates","301808","2025-08-19","18:56:13",""
"2300165","10.1834","0.0003","19.072","0.0005","15.0304","0.0004","90","","91.467","0.003","90","","2918.21","0.14","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Cl2 Fe N7 O8 -","- C27 H33 Cl2 Fe N7 O8 -","- C108 H132 Cl8 Fe4 N28 O32 -","4","1","","Seredyuk, Maksym; Gaspar, Ana B.; Kusz, Joachim; Bednarek, Gabriela; Gütlich, Philipp","Variable-temperature X-ray crystal structure determinations of {Fe[tren(6-Mepy)~3~]}(ClO~4~)~2~ and {Zn[tren(6-Mepy)~3~]}(ClO~4~)~2~ compounds: correlation of the structural data with magnetic and Mössbauer spectroscopy data","Journal of Applied Crystallography","2007","40","6","1135","1145","10.1107/S0021889807048571","","","0.71073","MoKα","","0.0471","0.0338","","","0.1032","0.1079","","","","","","1.003","","","","has coordinates","301808","2025-08-19","18:56:13",""
"2300166","10.1952","0.0004","19.0901","0.0007","15.0429","0.0006","90","","91.451","0.004","90","","2926.8","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Cl2 Fe N7 O8 -","- C27 H33 Cl2 Fe N7 O8 -","- C108 H132 Cl8 Fe4 N28 O32 -","4","1","","Seredyuk, Maksym; Gaspar, Ana B.; Kusz, Joachim; Bednarek, Gabriela; Gütlich, Philipp","Variable-temperature X-ray crystal structure determinations of {Fe[tren(6-Mepy)~3~]}(ClO~4~)~2~ and {Zn[tren(6-Mepy)~3~]}(ClO~4~)~2~ compounds: correlation of the structural data with magnetic and Mössbauer spectroscopy data","Journal of Applied Crystallography","2007","40","6","1135","1145","10.1107/S0021889807048571","","","0.71073","MoKα","","0.0569","0.038","","","0.1153","0.1229","","","","","","1.007","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300167","10.2122","0.0003","19.1179","0.0006","15.0573","0.0005","90","","91.42","0.003","90","","2938.82","0.16","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Cl2 Fe N7 O8 -","- C27 H33 Cl2 Fe N7 O8 -","- C108 H132 Cl8 Fe4 N28 O32 -","4","1","","Seredyuk, Maksym; Gaspar, Ana B.; Kusz, Joachim; Bednarek, Gabriela; Gütlich, Philipp","Variable-temperature X-ray crystal structure determinations of {Fe[tren(6-Mepy)~3~]}(ClO~4~)~2~ and {Zn[tren(6-Mepy)~3~]}(ClO~4~)~2~ compounds: correlation of the structural data with magnetic and Mössbauer spectroscopy data","Journal of Applied Crystallography","2007","40","6","1135","1145","10.1107/S0021889807048571","","","0.71073","MoKα","","0.0572","0.0398","","","0.1228","0.1301","","","","","","1.005","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300168","10.2327","0.0004","19.1464","0.0007","15.0753","0.0006","90","","91.402","0.004","90","","2952.7","0.2","190","2","190","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Cl2 Fe N7 O8 -","- C27 H33 Cl2 Fe N7 O8 -","- C108 H132 Cl8 Fe4 N28 O32 -","4","1","","Seredyuk, Maksym; Gaspar, Ana B.; Kusz, Joachim; Bednarek, Gabriela; Gütlich, Philipp","Variable-temperature X-ray crystal structure determinations of {Fe[tren(6-Mepy)~3~]}(ClO~4~)~2~ and {Zn[tren(6-Mepy)~3~]}(ClO~4~)~2~ compounds: correlation of the structural data with magnetic and Mössbauer spectroscopy data","Journal of Applied Crystallography","2007","40","6","1135","1145","10.1107/S0021889807048571","","","0.71073","MoKα","","0.0662","0.0452","","","0.1433","0.1555","","","","","","0.999","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300169","10.2747","0.0004","19.2019","0.0006","15.1011","0.0005","90","","91.399","0.003","90","","2978.46","0.18","210","2","210","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Cl2 Fe N7 O8 -","- C27 H33 Cl2 Fe N7 O8 -","- C108 H132 Cl8 Fe4 N28 O32 -","4","1","","Seredyuk, Maksym; Gaspar, Ana B.; Kusz, Joachim; Bednarek, Gabriela; Gütlich, Philipp","Variable-temperature X-ray crystal structure determinations of {Fe[tren(6-Mepy)~3~]}(ClO~4~)~2~ and {Zn[tren(6-Mepy)~3~]}(ClO~4~)~2~ compounds: correlation of the structural data with magnetic and Mössbauer spectroscopy data","Journal of Applied Crystallography","2007","40","6","1135","1145","10.1107/S0021889807048571","","","0.71073","MoKα","","0.0711","0.0466","","","0.1441","0.1546","","","","","","1.006","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300170","10.3663","0.0004","19.2603","0.0006","15.1373","0.0005","90","","91.432","0.003","90","","3021.34","0.18","230","2","230","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Cl2 Fe N7 O8 -","- C27 H33 Cl2 Fe N7 O8 -","- C108 H132 Cl8 Fe4 N28 O32 -","4","1","","Seredyuk, Maksym; Gaspar, Ana B.; Kusz, Joachim; Bednarek, Gabriela; Gütlich, Philipp","Variable-temperature X-ray crystal structure determinations of {Fe[tren(6-Mepy)~3~]}(ClO~4~)~2~ and {Zn[tren(6-Mepy)~3~]}(ClO~4~)~2~ compounds: correlation of the structural data with magnetic and Mössbauer spectroscopy data","Journal of Applied Crystallography","2007","40","6","1135","1145","10.1107/S0021889807048571","","","0.71073","MoKα","","0.0771","0.0467","","","0.1394","0.1494","","","","","","1","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300171","10.4678","0.0004","19.3228","0.0007","15.1695","0.0006","90","","91.501","0.003","90","","3067.2","0.2","250","2","250","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Cl2 Fe N7 O8 -","- C27 H33 Cl2 Fe N7 O8 -","- C108 H132 Cl8 Fe4 N28 O32 -","4","1","","Seredyuk, Maksym; Gaspar, Ana B.; Kusz, Joachim; Bednarek, Gabriela; Gütlich, Philipp","Variable-temperature X-ray crystal structure determinations of {Fe[tren(6-Mepy)~3~]}(ClO~4~)~2~ and {Zn[tren(6-Mepy)~3~]}(ClO~4~)~2~ compounds: correlation of the structural data with magnetic and Mössbauer spectroscopy data","Journal of Applied Crystallography","2007","40","6","1135","1145","10.1107/S0021889807048571","","","0.71073","MoKα","","0.0804","0.044","","","0.1252","0.1338","","","","","","1.004","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300172","10.529","0.0004","19.3683","0.0007","15.1933","0.0006","90","","91.541","0.003","90","","3097.2","0.2","270","2","270","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Cl2 Fe N7 O8 -","- C27 H33 Cl2 Fe N7 O8 -","- C108 H132 Cl8 Fe4 N28 O32 -","4","1","","Seredyuk, Maksym; Gaspar, Ana B.; Kusz, Joachim; Bednarek, Gabriela; Gütlich, Philipp","Variable-temperature X-ray crystal structure determinations of {Fe[tren(6-Mepy)~3~]}(ClO~4~)~2~ and {Zn[tren(6-Mepy)~3~]}(ClO~4~)~2~ compounds: correlation of the structural data with magnetic and Mössbauer spectroscopy data","Journal of Applied Crystallography","2007","40","6","1135","1145","10.1107/S0021889807048571","","","0.71073","MoKα","","0.0859","0.0448","","","0.1262","0.1354","","","","","","1.003","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300173","10.5677","0.0005","19.4022","0.0007","15.2137","0.0006","90","","91.564","0.004","90","","3118.2","0.2","290","2","290","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Cl2 Fe N7 O8 -","- C27 H33 Cl2 Fe N7 O8 -","- C108 H132 Cl8 Fe4 N28 O32 -","4","1","","Seredyuk, Maksym; Gaspar, Ana B.; Kusz, Joachim; Bednarek, Gabriela; Gütlich, Philipp","Variable-temperature X-ray crystal structure determinations of {Fe[tren(6-Mepy)~3~]}(ClO~4~)~2~ and {Zn[tren(6-Mepy)~3~]}(ClO~4~)~2~ compounds: correlation of the structural data with magnetic and Mössbauer spectroscopy data","Journal of Applied Crystallography","2007","40","6","1135","1145","10.1107/S0021889807048571","","","0.71073","MoKα","","0.0934","0.0467","","","0.1321","0.1417","","","","","","1.007","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300174","10.6005","0.0007","19.4289","0.0011","15.2382","0.001","90","","91.595","0.006","90","","3137.2","0.3","310","2","310","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Cl2 Fe N7 O8 -","- C27 H33 Cl2 Fe N7 O8 -","- C108 H132 Cl8 Fe4 N28 O32 -","4","1","","Seredyuk, Maksym; Gaspar, Ana B.; Kusz, Joachim; Bednarek, Gabriela; Gütlich, Philipp","Variable-temperature X-ray crystal structure determinations of {Fe[tren(6-Mepy)~3~]}(ClO~4~)~2~ and {Zn[tren(6-Mepy)~3~]}(ClO~4~)~2~ compounds: correlation of the structural data with magnetic and Mössbauer spectroscopy data","Journal of Applied Crystallography","2007","40","6","1135","1145","10.1107/S0021889807048571","","","0.71073","MoKα","","0.1047","0.0488","","","0.1407","0.1523","","","","","","1.005","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300175","10.6286","0.0007","19.4535","0.0011","15.2589","0.001","90","","91.626","0.006","90","","3153.7","0.3","330","2","330","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Cl2 Fe N7 O8 -","- C27 H33 Cl2 Fe N7 O8 -","- C108 H132 Cl8 Fe4 N28 O32 -","4","1","","Seredyuk, Maksym; Gaspar, Ana B.; Kusz, Joachim; Bednarek, Gabriela; Gütlich, Philipp","Variable-temperature X-ray crystal structure determinations of {Fe[tren(6-Mepy)~3~]}(ClO~4~)~2~ and {Zn[tren(6-Mepy)~3~]}(ClO~4~)~2~ compounds: correlation of the structural data with magnetic and Mössbauer spectroscopy data","Journal of Applied Crystallography","2007","40","6","1135","1145","10.1107/S0021889807048571","","","0.71073","MoKα","","0.1073","0.0509","","","0.1489","0.1619","","","","","","1.003","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300176","10.3736","0.0003","19.1884","0.0005","15.1122","0.0004","90","","91.885","0.002","90","","3006.5","0.14","80","2","80","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Cl2 N7 O8 Zn -","- C27 H33 Cl2 N7 O8 Zn -","- C108 H132 Cl8 N28 O32 Zn4 -","4","1","","Seredyuk, Maksym; Gaspar, Ana B.; Kusz, Joachim; Bednarek, Gabriela; Gütlich, Philipp","Variable-temperature X-ray crystal structure determinations of {Fe[tren(6-Mepy)~3~]}(ClO~4~)~2~ and {Zn[tren(6-Mepy)~3~]}(ClO~4~)~2~ compounds: correlation of the structural data with magnetic and Mössbauer spectroscopy data","Journal of Applied Crystallography","2007","40","6","1135","1145","10.1107/S0021889807048571","","","0.71073","MoKα","","0.0389","0.0271","","","0.0731","0.0754","","","","","","1.001","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300177","10.4189","0.0003","19.2284","0.0005","15.1216","0.0004","90","","91.726","0.002","90","","3028.07","0.14","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Cl2 N7 O8 Zn -","- C27 H33 Cl2 N7 O8 Zn -","- C108 H132 Cl8 N28 O32 Zn4 -","4","1","","Seredyuk, Maksym; Gaspar, Ana B.; Kusz, Joachim; Bednarek, Gabriela; Gütlich, Philipp","Variable-temperature X-ray crystal structure determinations of {Fe[tren(6-Mepy)~3~]}(ClO~4~)~2~ and {Zn[tren(6-Mepy)~3~]}(ClO~4~)~2~ compounds: correlation of the structural data with magnetic and Mössbauer spectroscopy data","Journal of Applied Crystallography","2007","40","6","1135","1145","10.1107/S0021889807048571","","","0.71073","MoKα","","0.0458","0.029","","","0.0758","0.0787","","","","","","1","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300178","10.4611","0.0003","19.2701","0.0006","15.132","0.0004","90","","91.596","0.003","90","","3049.22","0.15","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Cl2 N7 O8 Zn -","- C27 H33 Cl2 N7 O8 Zn -","- C108 H132 Cl8 N28 O32 Zn4 -","4","1","","Seredyuk, Maksym; Gaspar, Ana B.; Kusz, Joachim; Bednarek, Gabriela; Gütlich, Philipp","Variable-temperature X-ray crystal structure determinations of {Fe[tren(6-Mepy)~3~]}(ClO~4~)~2~ and {Zn[tren(6-Mepy)~3~]}(ClO~4~)~2~ compounds: correlation of the structural data with magnetic and Mössbauer spectroscopy data","Journal of Applied Crystallography","2007","40","6","1135","1145","10.1107/S0021889807048571","","","0.71073","MoKα","","0.0533","0.0313","","","0.0796","0.0831","","","","","","1.005","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300179","10.507","0.0004","19.3169","0.0007","15.1467","0.0006","90","","91.492","0.003","90","","3073.2","0.2","210","2","210","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Cl2 N7 O8 Zn -","- C27 H33 Cl2 N7 O8 Zn -","- C108 H132 Cl8 N28 O32 Zn4 -","4","1","","Seredyuk, Maksym; Gaspar, Ana B.; Kusz, Joachim; Bednarek, Gabriela; Gütlich, Philipp","Variable-temperature X-ray crystal structure determinations of {Fe[tren(6-Mepy)~3~]}(ClO~4~)~2~ and {Zn[tren(6-Mepy)~3~]}(ClO~4~)~2~ compounds: correlation of the structural data with magnetic and Mössbauer spectroscopy data","Journal of Applied Crystallography","2007","40","6","1135","1145","10.1107/S0021889807048571","","","0.71073","MoKα","","0.0627","0.0338","","","0.0863","0.0904","","","","","","1.001","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300180","10.5321","0.0004","19.3391","0.0007","15.1543","0.0005","90","","91.468","0.003","90","","3085.63","0.19","230","2","230","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Cl2 N7 O8 Zn -","- C27 H33 Cl2 N7 O8 Zn -","- C108 H132 Cl8 N28 O32 Zn4 -","4","1","","Seredyuk, Maksym; Gaspar, Ana B.; Kusz, Joachim; Bednarek, Gabriela; Gütlich, Philipp","Variable-temperature X-ray crystal structure determinations of {Fe[tren(6-Mepy)~3~]}(ClO~4~)~2~ and {Zn[tren(6-Mepy)~3~]}(ClO~4~)~2~ compounds: correlation of the structural data with magnetic and Mössbauer spectroscopy data","Journal of Applied Crystallography","2007","40","6","1135","1145","10.1107/S0021889807048571","","","0.71073","MoKα","","0.0701","0.0367","","","0.0944","0.0995","","","","","","1","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300181","10.5561","0.0004","19.3641","0.0007","15.1621","0.0005","90","","91.441","0.003","90","","3098.3","0.19","250","2","250","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Cl2 N7 O8 Zn -","- C27 H33 Cl2 N7 O8 Zn -","- C108 H132 Cl8 N28 O32 Zn4 -","4","1","","Seredyuk, Maksym; Gaspar, Ana B.; Kusz, Joachim; Bednarek, Gabriela; Gütlich, Philipp","Variable-temperature X-ray crystal structure determinations of {Fe[tren(6-Mepy)~3~]}(ClO~4~)~2~ and {Zn[tren(6-Mepy)~3~]}(ClO~4~)~2~ compounds: correlation of the structural data with magnetic and Mössbauer spectroscopy data","Journal of Applied Crystallography","2007","40","6","1135","1145","10.1107/S0021889807048571","","","0.71073","MoKα","","0.0768","0.0381","","","0.0991","0.1045","","","","","","1","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300182","10.5813","0.0004","19.3933","0.0007","15.1756","0.0005","90","","91.429","0.003","90","","3113.16","0.19","270","2","270","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Cl2 N7 O8 Zn -","- C27 H33 Cl2 N7 O8 Zn -","- C108 H132 Cl8 N28 O32 Zn4 -","4","1","","Seredyuk, Maksym; Gaspar, Ana B.; Kusz, Joachim; Bednarek, Gabriela; Gütlich, Philipp","Variable-temperature X-ray crystal structure determinations of {Fe[tren(6-Mepy)~3~]}(ClO~4~)~2~ and {Zn[tren(6-Mepy)~3~]}(ClO~4~)~2~ compounds: correlation of the structural data with magnetic and Mössbauer spectroscopy data","Journal of Applied Crystallography","2007","40","6","1135","1145","10.1107/S0021889807048571","","","0.71073","MoKα","","0.086","0.0406","","","0.1071","0.1136","","","","","","1.009","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300183","10.625","0.002","19.456","0.004","15.22","0.003","90","","91.5","0.03","90","","3145.2","1.1","290","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Cl2 N7 O8 Zn -","- C27 H33 Cl2 N7 O8 Zn -","- C108 H132 Cl8 N28 O32 Zn4 -","4","1","","Seredyuk, Maksym; Gaspar, Ana B.; Kusz, Joachim; Bednarek, Gabriela; Gütlich, Philipp","Variable-temperature X-ray crystal structure determinations of {Fe[tren(6-Mepy)~3~]}(ClO~4~)~2~ and {Zn[tren(6-Mepy)~3~]}(ClO~4~)~2~ compounds: correlation of the structural data with magnetic and Mössbauer spectroscopy data","Journal of Applied Crystallography","2007","40","6","1135","1145","10.1107/S0021889807048571","","","0.71073","MoKα","","0.0933","0.0424","","","0.1145","0.122","","","","","","1.001","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300184","10.6308","0.0005","19.4519","0.0008","15.213","0.0006","90","","91.451","0.004","90","","3144.9","0.2","310","2","310","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Cl2 N7 O8 Zn -","- C27 H33 Cl2 N7 O8 Zn -","- C108 H132 Cl8 N28 O32 Zn4 -","4","1","","Seredyuk, Maksym; Gaspar, Ana B.; Kusz, Joachim; Bednarek, Gabriela; Gütlich, Philipp","Variable-temperature X-ray crystal structure determinations of {Fe[tren(6-Mepy)~3~]}(ClO~4~)~2~ and {Zn[tren(6-Mepy)~3~]}(ClO~4~)~2~ compounds: correlation of the structural data with magnetic and Mössbauer spectroscopy data","Journal of Applied Crystallography","2007","40","6","1135","1145","10.1107/S0021889807048571","","","0.71073","MoKα","","0.1027","0.0447","","","0.1199","0.1274","","","","","","1.004","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300185","10.6541","0.0005","19.4812","0.0008","15.2306","0.0006","90","","91.478","0.004","90","","3160.1","0.2","330","2","330","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Cl2 N7 O8 Zn -","- C27 H33 Cl2 N7 O8 Zn -","- C108 H132 Cl8 N28 O32 Zn4 -","4","1","","Seredyuk, Maksym; Gaspar, Ana B.; Kusz, Joachim; Bednarek, Gabriela; Gütlich, Philipp","Variable-temperature X-ray crystal structure determinations of {Fe[tren(6-Mepy)~3~]}(ClO~4~)~2~ and {Zn[tren(6-Mepy)~3~]}(ClO~4~)~2~ compounds: correlation of the structural data with magnetic and Mössbauer spectroscopy data","Journal of Applied Crystallography","2007","40","6","1135","1145","10.1107/S0021889807048571","","","0.71073","MoKα","","0.1131","0.0466","","","0.1258","0.1335","","","","","","1.021","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300186","13.1928","0.0004","9.9503","0.0003","17.1498","0.0008","90","","90","","90","","2251.29","0.14","32","2","32","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H16 Fe N6 S2 -","- C26 H16 Fe N6 S2 -","- C104 H64 Fe4 N24 S8 -","4","0.5","DB5028","Legrand, Vincent; Pillet, Sébastien; Weber, Hans-Peter; Souhassou, Mohamed; Létard, Jean-François; Guionneau, Philippe; Lecomte, Claude","On the precision and accuracy of structural analysis of light-induced metastable states","Journal of Applied Crystallography","2007","40","6","1076","1088","10.1107/S0021889807040149","","","0.71073","MoKα","","0.0986","0.045","","","0.0977","0.1083","","","","","","0.908","","","","has coordinates,has Fobs","301808","2025-08-19","18:56:14",""
"2300187","13.185","0.001","9.948","0.001","17.135","0.001","90","","90","","90","","2247.5","0.3","15","2","15","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H16 Fe N6 S2 -","- C26 H16 Fe N6 S2 -","- C104 H64 Fe4 N24 S8 -","4","0.5","","Legrand, Vincent; Pillet, Sébastien; Weber, Hans-Peter; Souhassou, Mohamed; Létard, Jean-François; Guionneau, Philippe; Lecomte, Claude","On the precision and accuracy of structural analysis of light-induced metastable states","Journal of Applied Crystallography","2007","40","6","1076","1088","10.1107/S0021889807040149","","","0.71","synchrotron","","0.0879","0.0642","","","0.1718","0.1995","","","","","","1.066","","","","has coordinates,has Fobs","301808","2025-08-19","18:56:14",""
"2300188","12.762","0.001","10.024","0.001","17.09","0.001","90","","90","","90","","2186.3","0.3","15","2","15","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H16 Fe N6 S2 -","- C26 H16 Fe N6 S2 -","- C104 H64 Fe4 N24 S8 -","4","0.5","","Legrand, Vincent; Pillet, Sébastien; Weber, Hans-Peter; Souhassou, Mohamed; Létard, Jean-François; Guionneau, Philippe; Lecomte, Claude","On the precision and accuracy of structural analysis of light-induced metastable states","Journal of Applied Crystallography","2007","40","6","1076","1088","10.1107/S0021889807040149","","","0.71","synchrotron","","0.0665","0.0488","","","0.1364","0.1482","","","","","","1.034","","","","has coordinates,has Fobs","301808","2025-08-19","18:56:14",""