Crystallography Open Database

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Searching journal of publication like 'Acta Crystallographica Section B' volume of publication is 63

COD ID: 2102676
CIF file

Original IUCr paper

Formula: - C5 H10 O2 -
Comments: Roman Gajda; Andrzej Katrusiak <i>In-situ</i> high-pressure study of the ordered phase of ethyl propionate Acta Crystallographica Section B 63(1) (2007) 111-117
Space group: P 1 21/c 1
Cell volume: 521.68
Cell parameters: 4.9347; 9.4163; 11.321; 90; 97.39; 90;  

COD ID: 2102677
CIF file

Original IUCr paper

Formula: - C5 H10 O2 -
Comments: Roman Gajda; Andrzej Katrusiak <i>In-situ</i> high-pressure study of the ordered phase of ethyl propionate Acta Crystallographica Section B 63(1) (2007) 111-117
Space group: P 1 21/c 1
Cell volume: 514.35
Cell parameters: 4.8917; 9.3649; 11.318; 90; 97.24; 90;  

COD ID: 2102678
CIF file

Original IUCr paper

Formula: - C5 H10 O2 -
Comments: Roman Gajda; Andrzej Katrusiak <i>In-situ</i> high-pressure study of the ordered phase of ethyl propionate Acta Crystallographica Section B 63(1) (2007) 111-117
Space group: P 1 21/c 1
Cell volume: 503.99
Cell parameters: 4.8455; 9.3249; 11.251; 90; 97.52; 90;  

COD ID: 2102679
CIF file

Original IUCr paper

Formula: - B Ca H O5 Si -
Comments: Ivanov, Yury; Belokoneva, Elena Multipole refinement and electron density analysis in natural borosilicate datolite using X-ray diffraction data Acta Crystallographica Section B 63(1) (2007) 49-55
Space group: P 1 21/a 1
Cell volume: 355.7
Cell parameters: 9.646; 7.62; 4.839; 90; 90.14; 90;  

COD ID: 2102680
CIF file

HKL data

Original IUCr paper

Formula: - C18 H36 Cl Li N2 O10 -
Comments: Guzei, Ilia A.; Lara C. Spencer Low-temperature enantiotropic <i>k</i>2 phase transition in the ionic 222-cryptand complex with LiClO~4~ Acta Crystallographica Section B 63(1) (2007) 93-100
Space group: P 21 21 21
Cell volume: 2256.8
Cell parameters: 10.0273; 13.3313; 16.8827; 90; 90; 90;  

COD ID: 2102681
CIF file

HKL data

Original IUCr paper

Formula: - C18 H36 Cl Li N2 O10 -
Comments: Guzei, Ilia A.; Lara C. Spencer Low-temperature enantiotropic <i>k</i>2 phase transition in the ionic 222-cryptand complex with LiClO~4~ Acta Crystallographica Section B 63(1) (2007) 93-100
Space group: P 21 21 21
Cell volume: 2296.24
Cell parameters: 10.0791; 13.3799; 17.0272; 90; 90; 90;  

COD ID: 2102682
CIF file

Original IUCr paper

Formula: - C4 H7 N3 O2 -
Comments: Podsiadło, Marcin; Dziubek, Kamil F.; Katrusiak, Andrzej Pitfalls of data mining: triclinic polymorph of 2,2-aziridinedicarboxamide revisited Acta Crystallographica, Section B: Structural Science 63(1) (2007) 118-123
Space group: P -1
Cell volume: 2319.5
Cell parameters: 15.829; 12.381; 12.391; 90; 74.3; 83.1;  

COD ID: 2102683
CIF file

Original IUCr paper

Formula: - C22 H30 N6 Ni S2 -
Comments: Nielsen, Kim T.; Harris, Pernille; Bechgaard, Klaus; Krebs, Frederik C. Structural study of four complexes of the <i>M</i>-N~2~S~2~ type derived from diethylphenylazothioformamide and the metals palladium, platinum, copper and nickel Acta Crystallographica Section B 63(1) (2007) 151-156
Space group: P 41 21 2
Cell volume: 2357.55
Cell parameters: 10.2852; 10.2852; 22.2862; 90; 90; 90;  

COD ID: 2102684
CIF file

Original IUCr paper

Formula: - C22 H30 Cu N6 S2 -
Comments: Nielsen, Kim T.; Harris, Pernille; Bechgaard, Klaus; Krebs, Frederik C. Structural study of four complexes of the <i>M</i>-N~2~S~2~ type derived from diethylphenylazothioformamide and the metals palladium, platinum, copper and nickel Acta Crystallographica Section B 63(1) (2007) 151-156
Space group: P 41 21 2
Cell volume: 2354.9
Cell parameters: 10.2643; 10.2643; 22.3519; 90; 90; 90;  

COD ID: 2102685
CIF file

Original IUCr paper

Formula: - C22 H30 N6 Pd S2 -
Comments: Nielsen, Kim T.; Harris, Pernille; Bechgaard, Klaus; Krebs, Frederik C. Structural study of four complexes of the <i>M</i>-N~2~S~2~ type derived from diethylphenylazothioformamide and the metals palladium, platinum, copper and nickel Acta Crystallographica Section B 63(1) (2007) 151-156
Space group: C 1 2/c 1
Cell volume: 2418.3
Cell parameters: 16.036; 12.4564; 12.3311; 90; 100.952; 90;  

COD ID: 2102686
CIF file

Original IUCr paper

Formula: - C22 H30 N6 Pt S2 -
Comments: Nielsen, Kim T.; Harris, Pernille; Bechgaard, Klaus; Krebs, Frederik C. Structural study of four complexes of the <i>M</i>-N~2~S~2~ type derived from diethylphenylazothioformamide and the metals palladium, platinum, copper and nickel Acta Crystallographica Section B 63(1) (2007) 151-156
Space group: C 1 2/c 1
Cell volume: 2427.9
Cell parameters: 15.9317; 12.53; 12.3798; 90; 100.755; 90;  

COD ID: 2102687
CIF file

Original IUCr paper

Formula: - Cu Na1.57664 O2 -
Comments: van Smaalen, Sander; Dinnebier, Robert; Sofin, Mikhail; Jansen,Martin Structures of incommensurate and commensurate composite crystals Na~<i>x~</i>CuO~2~ (<i>x</i> = 1.58, 1.6, 1.62) Acta Crystallographica Section B 63(1) (2007) 17-25
Space group: C2/m(0\b0)s0
Cell volume: 121.727
Cell parameters: 8.24153; 2.78589; 5.71687; 90; 111.97; 90;  

COD ID: 2102688
CIF file

Original IUCr paper

Formula: - Cu5 Na8 O10 -
Comments: van Smaalen, Sander; Dinnebier, Robert; Sofin, Mikhail; Jansen,Martin Structures of incommensurate and commensurate composite crystals Na~<i>x~</i>CuO~2~ (<i>x</i> = 1.58, 1.6, 1.62) Acta Crystallographica Section B 63(1) (2007) 17-25
Space group: C2/m(0\b0)s0
Cell volume: 121.726
Cell parameters: 8.2417; 2.7859; 5.7167; 90; 111.971; 90;  

COD ID: 2102689
CIF file

Original IUCr paper

Formula: - Cu Na1.61689 O2 -
Comments: van Smaalen, Sander; Dinnebier, Robert; Sofin, Mikhail; Jansen,Martin Structures of incommensurate and commensurate composite crystals Na~<i>x~</i>CuO~2~ (<i>x</i> = 1.58, 1.6, 1.62) Acta Crystallographica Section B 63(1) (2007) 17-25
Space group: C2/m(0\b0)s0
Cell volume: 122.112
Cell parameters: 8.23682; 2.79269; 5.71224; 90; 111.67; 90;  

COD ID: 2102690
CIF file

HKL data

Original IUCr paper

Formula: - C12 H24 Co I11 S6 -
Comments: Blake, Alexander J.; Li, Wan-Sheung; Lippolis, Vito; Parsons, Simon; Schröder, Martin Extended structures of polyiodide salts of transition metal macrocyclic complexes Acta Crystallographica Section B 63(1) (2007) 81-92
Space group: C 1 2/c 1
Cell volume: 3506.2
Cell parameters: 15.156; 17.772; 13.106; 90; 96.67; 90;  

COD ID: 2102691
CIF file

HKL data

Original IUCr paper

Formula: - C12 H24 I6 Ni S6 -
Comments: Blake, Alexander J.; Li, Wan-Sheung; Lippolis, Vito; Parsons, Simon; Schröder, Martin Extended structures of polyiodide salts of transition metal macrocyclic complexes Acta Crystallographica Section B 63(1) (2007) 81-92
Space group: P 1 21/c 1
Cell volume: 1391.7
Cell parameters: 9.445; 9.042; 16.449; 90; 97.83; 90;  

COD ID: 2102692
CIF file

HKL data

Original IUCr paper

Formula: - C12 H24 I10 Ni S6 -
Comments: Blake, Alexander J.; Li, Wan-Sheung; Lippolis, Vito; Parsons, Simon; Schröder, Martin Extended structures of polyiodide salts of transition metal macrocyclic complexes Acta Crystallographica Section B 63(1) (2007) 81-92
Space group: P b c a
Cell volume: 3517
Cell parameters: 12.317; 15.602; 18.302; 90; 90; 90;  

COD ID: 2102693
CIF file

HKL data

Original IUCr paper

Formula: - C8 H16 I6 Pd S4 -
Comments: Blake, Alexander J.; Li, Wan-Sheung; Lippolis, Vito; Parsons, Simon; Schröder, Martin Extended structures of polyiodide salts of transition metal macrocyclic complexes Acta Crystallographica Section B 63(1) (2007) 81-92
Space group: C 1 2/c 1
Cell volume: 4478
Cell parameters: 18.062; 23.602; 11.166; 90; 109.81; 90;  

COD ID: 2102694
CIF file

HKL data

Original IUCr paper

Formula: - C12 H23 I10 N Pd S4 -
Comments: Blake, Alexander J.; Li, Wan-Sheung; Lippolis, Vito; Parsons, Simon; Schröder, Martin Extended structures of polyiodide salts of transition metal macrocyclic complexes Acta Crystallographica Section B 63(1) (2007) 81-92
Space group: P -1
Cell volume: 1737
Cell parameters: 9.336; 11.504; 16.431; 85.49; 81.2; 86.93;  

COD ID: 2102695
CIF file

HKL data

Original IUCr paper

Formula: - C4 H10 N2 -
Comments: Loehlin, James H.; Okasako, Elizabeth L. N. Analysis of structures with saturated hydrogen bonding Acta Crystallographica Section B 63(1) (2007) 132-141
Space group: P 1 21/n 1
Cell volume: 256.74
Cell parameters: 6.0817; 5.2501; 8.4646; 90; 108.207; 90;  

COD ID: 2102696
CIF file

HKL data

Original IUCr paper

Formula: - C4 H10 I N O -
Comments: Loehlin, James H.; Okasako, Elizabeth L. N. Analysis of structures with saturated hydrogen bonding Acta Crystallographica Section B 63(1) (2007) 132-141
Space group: P 1 21/c 1
Cell volume: 706.17
Cell parameters: 6.6521; 10.4682; 10.259; 90; 98.703; 90;  

COD ID: 2102697
CIF file

HKL data

Original IUCr paper

Formula: - C14 H26 N2 O2 -
Comments: Loehlin, James H.; Okasako, Elizabeth L. N. Analysis of structures with saturated hydrogen bonding Acta Crystallographica Section B 63(1) (2007) 132-141
Space group: C 1 2/c 1
Cell volume: 1493.2
Cell parameters: 36.19; 5.1258; 8.2222; 90; 101.773; 90;  

COD ID: 2102698
CIF file

HKL data

Original IUCr paper

Formula: - C16 H30 N2 O2 -
Comments: Loehlin, James H.; Okasako, Elizabeth L. N. Analysis of structures with saturated hydrogen bonding Acta Crystallographica Section B 63(1) (2007) 132-141
Space group: P 1 21/c 1
Cell volume: 812.11
Cell parameters: 19.453; 5.1589; 8.18; 90; 98.398; 90;  

COD ID: 2102699
CIF file

HKL data

Original IUCr paper

Formula: - C18 H34 N2 O2 -
Comments: Loehlin, James H.; Okasako, Elizabeth L. N. Analysis of structures with saturated hydrogen bonding Acta Crystallographica Section B 63(1) (2007) 132-141
Space group: P 1 21/c 1
Cell volume: 939.4
Cell parameters: 22.2081; 5.1843; 8.217; 90; 96.818; 90;  

COD ID: 2102700
CIF file

HKL data

Original IUCr paper

Formula: - C6 H15 N O -
Comments: Loehlin, James H.; Okasako, Elizabeth L. N. Analysis of structures with saturated hydrogen bonding Acta Crystallographica Section B 63(1) (2007) 132-141
Space group: F d d 2
Cell volume: 2976.1
Cell parameters: 15.4577; 17.5074; 10.997; 90; 90; 90;  

COD ID: 2102701
CIF file

HKL data

Original IUCr paper

Formula: - C4 H10 Cl N O -
Comments: Loehlin, James H.; Okasako, Elizabeth L. N. Analysis of structures with saturated hydrogen bonding Acta Crystallographica Section B 63(1) (2007) 132-141
Space group: P 1 21/c 1
Cell volume: 605.9
Cell parameters: 5.736; 10.618; 10.142; 90; 101.197; 90;  

COD ID: 2102702
CIF file

Original IUCr paper

Formula: ?
Comments: Mercier, Patrick H. J.; Dong, Zhili; Baikie, Thomas; Le Page, Yvon; White, T. J.; Whitfield, Pamela S.; Mitchel, Lyndon D. <i>Ab initio</i> constrained crystal-chemical Rietveld refinement of Ca~10~(V~<i>x~</i>P~1{-~<i>x</i>}O~4~)~6~F~2~ apatites Acta Crystallographica Section B 63(1) (2007) 37-48
Space group: P 63/m
Cell volume: 524.5
Cell parameters: 9.377; 9.377318; 6.888; 90; 90; 120;  

COD ID: 2102703
CIF file

Original IUCr paper

Formula: ?
Comments: Mercier, Patrick H. J.; Dong, Zhili; Baikie, Thomas; Le Page, Yvon; White, T. J.; Whitfield, Pamela S.; Mitchel, Lyndon D. <i>Ab initio</i> constrained crystal-chemical Rietveld refinement of Ca~10~(V~<i>x~</i>P~1 - <i>x~</i>O~4~)~6~F~2~ apatites Acta Crystallographica Section B 63(1) (2007) 37-48
Space group: P 63/m
Cell volume: 524.716
Cell parameters: 9.37834; 9.37834; 6.88877; 90; 90; 120;  

COD ID: 2102704
CIF file

Original IUCr paper

Formula: ?
Comments: Mercier, Patrick H. J.; Dong, Zhili; Baikie, Thomas; Le Page, Yvon; White, T. J.; Whitfield, Pamela S.; Mitchel, Lyndon D. <i>Ab initio</i> constrained crystal-chemical Rietveld refinement of Ca~10~(V~<i>x~</i>P~1 - <i>x~</i>O~4~)~6~F~2~ apatites Acta Crystallographica Section B 63(1) (2007) 37-48
Space group: P 63/m
Cell volume: 524.716
Cell parameters: 9.37834; 9.37834; 6.88877; 90; 90; 120;  

COD ID: 2102705
CIF file

Original IUCr paper

Formula: ?
Comments: Mercier, Patrick H. J.; Dong, Zhili; Baikie, Thomas; Le Page, Yvon; White, T. J.; Whitfield, Pamela S.; Mitchel, Lyndon D. <i>Ab initio</i> constrained crystal-chemical Rietveld refinement of Ca~10~(V~<i>x~</i>P~1{-~<i>x</i>}O~4~)~6~F~2~ apatites Acta Crystallographica Section B 63(1) (2007) 37-48
Space group: P 63/m
Cell volume: 524.7
Cell parameters: 9.38; 9.378214; 6.888; 90; 90; 120;  

COD ID: 2102706
CIF file

Original IUCr paper

Formula: ?
Comments: Mercier, Patrick H. J.; Dong, Zhili; Baikie, Thomas; Le Page, Yvon; White, T. J.; Whitfield, Pamela S.; Mitchel, Lyndon D. <i>Ab initio</i> constrained crystal-chemical Rietveld refinement of Ca~10~(V~<i>x~</i>P~1 - <i>x~</i>O~4~)~6~F~2~ apatites Acta Crystallographica Section B 63(1) (2007) 37-48
Space group: P 63/m
Cell volume: 524.92
Cell parameters: 9.3801; 9.3801; 6.8889; 90; 90; 120;  

COD ID: 2102707
CIF file

Original IUCr paper

Formula: ?
Comments: Mercier, Patrick H. J.; Dong, Zhili; Baikie, Thomas; Le Page, Yvon; White, T. J.; Whitfield, Pamela S.; Mitchel, Lyndon D. <i>Ab initio</i> constrained crystal-chemical Rietveld refinement of Ca~10~(V~<i>x~</i>P~1 - <i>x~</i>O~4~)~6~F~2~ apatites Acta Crystallographica Section B 63(1) (2007) 37-48
Space group: P 63/m
Cell volume: 524.92
Cell parameters: 9.3801; 9.3801; 6.8889; 90; 90; 120;  

COD ID: 2102708
CIF file

Original IUCr paper

Formula: ?
Comments: Mercier, Patrick H. J.; Dong, Zhili; Baikie, Thomas; Le Page, Yvon; White, T. J.; Whitfield, Pamela S.; Mitchel, Lyndon D. <i>Ab initio</i> constrained crystal-chemical Rietveld refinement of Ca~10~(V~<i>x~</i>P~1{-~<i>x</i>}O~4~)~6~F~2~ apatites Acta Crystallographica Section B 63(1) (2007) 37-48
Space group: P 63/m
Cell volume: 532.8
Cell parameters: 9.437; 9.436671; 6.909; 90; 90; 120;  

COD ID: 2102709
CIF file

Original IUCr paper

Formula: ?
Comments: Mercier, Patrick H. J.; Dong, Zhili; Baikie, Thomas; Le Page, Yvon; White, T. J.; Whitfield, Pamela S.; Mitchel, Lyndon D. <i>Ab initio</i> constrained crystal-chemical Rietveld refinement of Ca~10~(V~<i>x~</i>P~1 - <i>x~</i>O~4~)~6~F~2~ apatites Acta Crystallographica Section B 63(1) (2007) 37-48
Space group: P 63/m
Cell volume: 533.02
Cell parameters: 9.4379; 9.4379; 6.90967; 90; 90; 120;  

COD ID: 2102710
CIF file

Original IUCr paper

Formula: ?
Comments: Mercier, Patrick H. J.; Dong, Zhili; Baikie, Thomas; Le Page, Yvon; White, T. J.; Whitfield, Pamela S.; Mitchel, Lyndon D. <i>Ab initio</i> constrained crystal-chemical Rietveld refinement of Ca~10~(V~<i>x~</i>P~1 - <i>x~</i>O~4~)~6~F~2~ apatites Acta Crystallographica Section B 63(1) (2007) 37-48
Space group: P 63/m
Cell volume: 533.02
Cell parameters: 9.4379; 9.4379; 6.90968; 90; 90; 120;  

COD ID: 2102711
CIF file

Original IUCr paper

Formula: ?
Comments: Mercier, Patrick H. J.; Dong, Zhili; Baikie, Thomas; Le Page, Yvon; White, T. J.; Whitfield, Pamela S.; Mitchel, Lyndon D. <i>Ab initio</i> constrained crystal-chemical Rietveld refinement of Ca~10~(V~<i>x~</i>P~1{-~<i>x</i>}O~4~)~6~F~2~ apatites Acta Crystallographica Section B 63(1) (2007) 37-48
Space group: P 63/m
Cell volume: 537.9
Cell parameters: 9.472; 9.472342; 6.922; 90; 90; 120;  

COD ID: 2102712
CIF file

Original IUCr paper

Formula: ?
Comments: Mercier, Patrick H. J.; Dong, Zhili; Baikie, Thomas; Le Page, Yvon; White, T. J.; Whitfield, Pamela S.; Mitchel, Lyndon D. <i>Ab initio</i> constrained crystal-chemical Rietveld refinement of Ca~10~(V~<i>x~</i>P~1 - <i>x~</i>O~4~)~6~F~2~ apatites Acta Crystallographica Section B 63(1) (2007) 37-48
Space group: P 63/m
Cell volume: 538.04
Cell parameters: 9.4733; 9.4733; 6.92272; 90; 90; 120;  

COD ID: 2102713
CIF file

Original IUCr paper

Formula: ?
Comments: Mercier, Patrick H. J.; Dong, Zhili; Baikie, Thomas; Le Page, Yvon; White, T. J.; Whitfield, Pamela S.; Mitchel, Lyndon D. <i>Ab initio</i> constrained crystal-chemical Rietveld refinement of Ca~10~(V~<i>x~</i>P~1 - <i>x~</i>O~4~)~6~F~2~ apatites Acta Crystallographica Section B 63(1) (2007) 37-48
Space group: P 63/m
Cell volume: 538.04
Cell parameters: 9.4733; 9.4733; 6.92276; 90; 90; 120;  

COD ID: 2102714
CIF file

Original IUCr paper

Formula: ?
Comments: Mercier, Patrick H. J.; Dong, Zhili; Baikie, Thomas; Le Page, Yvon; White, T. J.; Whitfield, Pamela S.; Mitchel, Lyndon D. <i>Ab initio</i> constrained crystal-chemical Rietveld refinement of Ca~10~(V~<i>x~</i>P~1 - <i>x~</i>O~4~)~6~F~2~ apatites Acta Crystallographica Section B 63(1) (2007) 37-48
Space group: P 63/m
Cell volume: 543.3
Cell parameters: 9.51; 9.509835; 6.937; 90; 90; 120;  

COD ID: 2102715
CIF file

Original IUCr paper

Formula: ?
Comments: Mercier, Patrick H. J.; Dong, Zhili; Baikie, Thomas; Le Page, Yvon; White, T. J.; Whitfield, Pamela S.; Mitchel, Lyndon D. <i>Ab initio</i> constrained crystal-chemical Rietveld refinement of Ca~10~(V~<i>x~</i>P~1 - <i>x~</i>O~4~)~6~F~2~ apatites Acta Crystallographica Section B 63(1) (2007) 37-48
Space group: P 63/m
Cell volume: 543.35
Cell parameters: 9.5103; 9.5103; 6.93674; 90; 90; 120;  

COD ID: 2102716
CIF file

Original IUCr paper

Formula: ?
Comments: Mercier, Patrick H. J.; Dong, Zhili; Baikie, Thomas; Le Page, Yvon; White, T. J.; Whitfield, Pamela S.; Mitchel, Lyndon D. <i>Ab initio</i> constrained crystal-chemical Rietveld refinement of Ca~10~(V~<i>x~</i>P~1 - <i>x~</i>O~4~)~6~F~2~ apatites Acta Crystallographica Section B 63(1) (2007) 37-48
Space group: P 63/m
Cell volume: 543.35
Cell parameters: 9.5103; 9.5103; 6.93677; 90; 90; 120;  

COD ID: 2102717
CIF file

Original IUCr paper

Formula: ?
Comments: Mercier, Patrick H. J.; Dong, Zhili; Baikie, Thomas; Le Page, Yvon; White, T. J.; Whitfield, Pamela S.; Mitchel, Lyndon D. <i>Ab initio</i> constrained crystal-chemical Rietveld refinement of Ca~10~(V~<i>x~</i>P~1 - <i>x~</i>O~4~)~6~F~2~ apatites Acta Crystallographica Section B 63(1) (2007) 37-48
Space group: P 63/m
Cell volume: 550.5
Cell parameters: 9.57; 9.565158; 6.947; 90; 90; 120;  

COD ID: 2102718
CIF file

Original IUCr paper

Formula: ?
Comments: Mercier, Patrick H. J.; Dong, Zhili; Baikie, Thomas; Le Page, Yvon; White, T. J.; Whitfield, Pamela S.; Mitchel, Lyndon D. <i>Ab initio</i> constrained crystal-chemical Rietveld refinement of Ca~10~(V~<i>x~</i>P~1 - <i>x~</i>O~4~)~6~F~2~ apatites Acta Crystallographica Section B 63(1) (2007) 37-48
Space group: P 63/m
Cell volume: 550.47
Cell parameters: 9.56534; 9.56534; 6.94712; 90; 90; 120;  

COD ID: 2102719
CIF file

Original IUCr paper

Formula: ?
Comments: Mercier, Patrick H. J.; Dong, Zhili; Baikie, Thomas; Le Page, Yvon; White, T. J.; Whitfield, Pamela S.; Mitchel, Lyndon D. <i>Ab initio</i> constrained crystal-chemical Rietveld refinement of Ca~10~(V~<i>x~</i>P~1 - <i>x~</i>O~4~)~6~F~2~ apatites Acta Crystallographica Section B 63(1) (2007) 37-48
Space group: P 63/m
Cell volume: 550.48
Cell parameters: 9.5654; 9.5654; 6.94713; 90; 90; 120;  

COD ID: 2102720
CIF file

Original IUCr paper

Formula: ?
Comments: Mercier, Patrick H. J.; Dong, Zhili; Baikie, Thomas; Le Page, Yvon; White, T. J.; Whitfield, Pamela S.; Mitchel, Lyndon D. <i>Ab initio</i> constrained crystal-chemical Rietveld refinement of Ca~10~(V~<i>x~</i>P~1 - <i>x~</i>O~4~)~6~F~2~ apatites Acta Crystallographica Section B 63(1) (2007) 37-48
Space group: P 63/m
Cell volume: 554
Cell parameters: 9.58; 9.581942; 6.963; 90; 90; 120;  

COD ID: 2102721
CIF file

Original IUCr paper

Formula: ?
Comments: Mercier, Patrick H. J.; Dong, Zhili; Baikie, Thomas; Le Page, Yvon; White, T. J.; Whitfield, Pamela S.; Mitchel, Lyndon D. <i>Ab initio</i> constrained crystal-chemical Rietveld refinement of Ca~10~(V~<i>x~</i>P~1 - <i>x~</i>O~4~)~6~F~2~ apatites Acta Crystallographica Section B 63(1) (2007) 37-48
Space group: P 63/m
Cell volume: 553.64
Cell parameters: 9.582; 9.582; 6.9628; 90; 90; 120;  

COD ID: 2102722
CIF file

Original IUCr paper

Formula: ?
Comments: Mercier, Patrick H. J.; Dong, Zhili; Baikie, Thomas; Le Page, Yvon; White, T. J.; Whitfield, Pamela S.; Mitchel, Lyndon D. <i>Ab initio</i> constrained crystal-chemical Rietveld refinement of Ca~10~(V~<i>x~</i>P~1 - <i>x~</i>O~4~)~6~F~2~ apatites Acta Crystallographica Section B 63(1) (2007) 37-48
Space group: P 63/m
Cell volume: 553.65
Cell parameters: 9.5821; 9.5821; 6.9628; 90; 90; 120;  

COD ID: 2102723
CIF file

Original IUCr paper

Formula: ?
Comments: Mercier, Patrick H. J.; Dong, Zhili; Baikie, Thomas; Le Page, Yvon; White, T. J.; Whitfield, Pamela S.; Mitchel, Lyndon D. <i>Ab initio</i> constrained crystal-chemical Rietveld refinement of Ca~10~(V~<i>x~</i>P~1{-~<i>x</i>}O~4~)~6~F~2~ apatites Acta Crystallographica Section B 63(1) (2007) 37-48
Space group: P 63/m
Cell volume: 556.2
Cell parameters: 9.6; 9.598996; 6.969; 90; 90; 120;  

COD ID: 2102724
CIF file

Original IUCr paper

Formula: ?
Comments: Mercier, Patrick H. J.; Dong, Zhili; Baikie, Thomas; Le Page, Yvon; White, T. J.; Whitfield, Pamela S.; Mitchel, Lyndon D. <i>Ab initio</i> constrained crystal-chemical Rietveld refinement of Ca~10~(V~<i>x~</i>P~1 - <i>x~</i>O~4~)~6~F~2~ apatites Acta Crystallographica Section B 63(1) (2007) 37-48
Space group: P 63/m
Cell volume: 556.73
Cell parameters: 9.6029; 9.6029; 6.9712; 90; 90; 120;  

COD ID: 2102725
CIF file

Original IUCr paper

Formula: ?
Comments: Mercier, Patrick H. J.; Dong, Zhili; Baikie, Thomas; Le Page, Yvon; White, T. J.; Whitfield, Pamela S.; Mitchel, Lyndon D. <i>Ab initio</i> constrained crystal-chemical Rietveld refinement of Ca~10~(V~<i>x~</i>P~1 - <i>x~</i>O~4~)~6~F~2~ apatites Acta Crystallographica Section B 63(1) (2007) 37-48
Space group: P 63/m
Cell volume: 556.74
Cell parameters: 9.6029; 9.6029; 6.9713; 90; 90; 120;  

COD ID: 2102726
CIF file

Original IUCr paper

Formula: ?
Comments: Mercier, Patrick H. J.; Dong, Zhili; Baikie, Thomas; Le Page, Yvon; White, T. J.; Whitfield, Pamela S.; Mitchel, Lyndon D. <i>Ab initio</i> constrained crystal-chemical Rietveld refinement of Ca~10~(V~<i>x~</i>P~1 - <i>x~</i>O~4~)~6~F~2~ apatites Acta Crystallographica Section B 63(1) (2007) 37-48
Space group: P 63/m
Cell volume: 563
Cell parameters: 9.65; 9.646212; 6.981; 90; 90; 120;  

COD ID: 2102727
CIF file

Original IUCr paper

Formula: ?
Comments: Mercier, Patrick H. J.; Dong, Zhili; Baikie, Thomas; Le Page, Yvon; White, T. J.; Whitfield, Pamela S.; Mitchel, Lyndon D. <i>Ab initio</i> constrained crystal-chemical Rietveld refinement of Ca~10~(V~<i>x~</i>P~1 - <i>x~</i>O~4~)~6~F~2~ apatites Acta Crystallographica Section B 63(1) (2007) 37-48
Space group: P 63/m
Cell volume: 562.81
Cell parameters: 9.6454; 9.6454; 6.9855; 90; 90; 120;  

COD ID: 2102728
CIF file

Original IUCr paper

Formula: ?
Comments: Mercier, Patrick H. J.; Dong, Zhili; Baikie, Thomas; Le Page, Yvon; White, T. J.; Whitfield, Pamela S.; Mitchel, Lyndon D. <i>Ab initio</i> constrained crystal-chemical Rietveld refinement of Ca~10~(V~<i>x~</i>P~1 - <i>x~</i>O~4~)~6~F~2~ apatites Acta Crystallographica Section B 63(1) (2007) 37-48
Space group: P 63/m
Cell volume: 562.8
Cell parameters: 9.6452; 9.6452; 6.9855; 90; 90; 120;  

COD ID: 2102729
CIF file

Original IUCr paper

Formula: ?
Comments: Mercier, Patrick H. J.; Dong, Zhili; Baikie, Thomas; Le Page, Yvon; White, T. J.; Whitfield, Pamela S.; Mitchel, Lyndon D. <i>Ab initio</i> constrained crystal-chemical Rietveld refinement of Ca~10~(V~<i>x~</i>P~1{-~<i>x</i>}O~4~)~6~F~2~ apatites Acta Crystallographica Section B 63(1) (2007) 37-48
Space group: P 63/m
Cell volume: 568
Cell parameters: 9.68; 9.680008; 6.999; 90; 90; 120;  

COD ID: 2102730
CIF file

Original IUCr paper

Formula: ?
Comments: Mercier, Patrick H. J.; Dong, Zhili; Baikie, Thomas; Le Page, Yvon; White, T. J.; Whitfield, Pamela S.; Mitchel, Lyndon D. <i>Ab initio</i> constrained crystal-chemical Rietveld refinement of Ca~10~(V~<i>x~</i>P~1 - <i>x~</i>O~4~)~6~F~2~ apatites Acta Crystallographica Section B 63(1) (2007) 37-48
Space group: P 63/m
Cell volume: 568.39
Cell parameters: 9.6819; 9.6819; 7.0015; 90; 90; 120;  

COD ID: 2102731
CIF file

Original IUCr paper

Formula: ?
Comments: Mercier, Patrick H. J.; Dong, Zhili; Baikie, Thomas; Le Page, Yvon; White, T. J.; Whitfield, Pamela S.; Mitchel, Lyndon D. <i>Ab initio</i> constrained crystal-chemical Rietveld refinement of Ca~10~(V~<i>x~</i>P~1 - <i>x~</i>O~4~)~6~F~2~ apatites Acta Crystallographica Section B 63(1) (2007) 37-48
Space group: P 63/m
Cell volume: 568.36
Cell parameters: 9.6817; 9.6817; 7.0014; 90; 90; 120;  

COD ID: 2102732
CIF file

Original IUCr paper

Formula: - Cr Li O11 Sr Ti4 -
Comments: Imaz, Inhar; Pechev, Stanislav; Gravereau, Pierre; Chaminade, Jean-Pierre; Kosseva, Iovka; Peshev, Pavel; Bouree, Francoise Structural filiations in the new complex titanates SrLi<i>M</i>Ti~4~O~11~ (<i>M</i> = Cr, Fe) Acta Crystallographica Section B 63(1) (2007) 26-36
Space group: P n m a
Cell volume: 787.35
Cell parameters: 13.818; 5.755; 9.901; 90; 90; 90;  

COD ID: 2102733
CIF file

Original IUCr paper

Formula: - Cr Li O11 Sr Ti4 -
Comments: Imaz, Inhar; Pechev, Stanislav; Gravereau, Pierre; Chaminade, Jean-Pierre; Kosseva, Iovka; Peshev, Pavel; Bouree, Francoise Structural filiations in the new complex titanates SrLi<i>M</i>Ti~4~O~11~ (<i>M</i> = Cr, Fe) Acta Crystallographica Section B 63(1) (2007) 26-36
Space group: P n m a
Cell volume: 786.4
Cell parameters: 13.798; 5.763; 9.89; 90; 90; 90;  

COD ID: 2102734
CIF file

Original IUCr paper

Formula: - Fe Li O11 Sr Ti4 -
Comments: Imaz, Inhar; Pechev, Stanislav; Gravereau, Pierre; Chaminade, Jean-Pierre; Kosseva, Iovka; Peshev, Pavel; Bouree, Francoise Structural filiations in the new complex titanates SrLi<i>M</i>Ti~4~O~11~ (<i>M</i> = Cr, Fe) Acta Crystallographica Section B 63(1) (2007) 26-36
Space group: P b c n
Cell volume: 3171
Cell parameters: 13.875; 11.492; 19.887; 90; 90; 90;  

COD ID: 2102735
CIF file

Original IUCr paper

Formula: - C22 H18 N2 O2 Pd2 -
Comments: Perez Perez, Jose; Serrano, Jose Luis; Galiana Garcia, Jose Miguel; Cumbrera, Francisco Luis; Ortiz, Angel L.; Sanchez, G.; Garcia, J. Structure determination of di-μ-hydroxo-bis[(2-(2-pyridyl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^)palladium(II)] by X-ray powder diffractometry Acta Crystallographica Section B 63(1) (2007) 75-80
Space group: P 1 21/n 1
Cell volume: 2833.3
Cell parameters: 15.9574; 16.1807; 10.9808; 90; 92.115; 90;  

COD ID: 2102736
CIF file

HKL data

Original IUCr paper

Formula: - C6 H4 Cl2 -
Comments: Bujak, Maciej; Dziubek, Kamil; Katrusiak, Andrzej Halogen···halogen interactions in pressure-frozen <i>ortho</i>- and <i>meta</i>-dichlorobenzene isomers Acta Crystallographica Section B 63(1) (2007) 124-131
Space group: P 1 21/n 1
Cell volume: 626.5
Cell parameters: 3.9274; 10.5678; 15.199; 90; 96.7; 90;  

COD ID: 2102737
CIF file

HKL data

Original IUCr paper

Formula: - C6 H4 Cl2 -
Comments: Bujak, Maciej; Dziubek, Kamil; Katrusiak, Andrzej Halogen···halogen interactions in pressure-frozen <i>ortho</i>- and <i>meta</i>-dichlorobenzene isomers Acta Crystallographica Section B 63(1) (2007) 124-131
Space group: P 1 21/c 1
Cell volume: 1266.8
Cell parameters: 3.9163; 12.532; 25.849; 90; 93.098; 90;  

COD ID: 2102738
CIF file

Original IUCr paper

Formula: - Cl2 Cu3 H6 Mg O6 -
Comments: Malcherek, Thomas; Schlüter, Jochen Cu~3~MgCl~2~(OH)~6~ and a redetermination of bond valence parameters for the OH—Cl bond Acta Crystallographica, Section B 63(1) (2007) 157-160
Space group: P -3 m 1
Cell volume: 195.88
Cell parameters: 6.2733; 6.2733; 5.7472; 90; 90; 120;  

COD ID: 2102739
CIF file

Original IUCr paper

Formula: - Cu2 Fe2 Ge4 O13 -
Comments: Redhammer, Günther J. Temperature-dependent crystal structure refinement and ^57^Fe Mössbauer spectroscopy of Cu~2~Fe~2~Ge~4~O~13~ Acta Crystallographica Section B 63(1) (2007) 4-16
Space group: P 1 21/m 1
Cell volume: 496.27
Cell parameters: 12.09; 8.4901; 4.8626; 90; 96.13; 90;  

COD ID: 2102740
CIF file

Original IUCr paper

Formula: - Cu2 Fe2 Ge4 O13 -
Comments: Redhammer, Günther J. Temperature-dependent crystal structure refinement and ^57^Fe Mössbauer spectroscopy of Cu~2~Fe~2~Ge~4~O~13~ Acta Crystallographica Section B 63(1) (2007) 4-16
Space group: P 1 21/m 1
Cell volume: 496.44
Cell parameters: 12.0881; 8.4914; 4.8644; 90; 96.137; 90;  

COD ID: 2102741
CIF file

Original IUCr paper

Formula: - Cu2 Fe2 Ge4 O13 -
Comments: Redhammer, Günther J. Temperature-dependent crystal structure refinement and ^57^Fe Mössbauer spectroscopy of Cu~2~Fe~2~Ge~4~O~13~ Acta Crystallographica Section B 63(1) (2007) 4-16
Space group: P 1 21/m 1
Cell volume: 493.41
Cell parameters: 12.0087; 8.4931; 4.8657; 90; 96.139; 90;  

COD ID: 2102742
CIF file

Original IUCr paper

Formula: - Cu2 Fe2 Ge4 O13 -
Comments: Redhammer, Günther J. Temperature-dependent crystal structure refinement and ^57^Fe Mössbauer spectroscopy of Cu~2~Fe~2~Ge~4~O~13~ Acta Crystallographica Section B 63(1) (2007) 4-16
Space group: P 1 21/m 1
Cell volume: 496.78
Cell parameters: 12.0859; 8.4947; 4.8667; 90; 96.143; 90;  

COD ID: 2102743
CIF file

Original IUCr paper

Formula: - Cu2 Fe2 Ge4 O13 -
Comments: Redhammer, Günther J. Temperature-dependent crystal structure refinement and ^57^Fe Mössbauer spectroscopy of Cu~2~Fe~2~Ge~4~O~13~ Acta Crystallographica Section B 63(1) (2007) 4-16
Space group: P 1 21/m 1
Cell volume: 497.19
Cell parameters: 12.0858; 8.4979; 4.8691; 90; 96.161; 90;  

COD ID: 2102744
CIF file

Original IUCr paper

Formula: - Cu2 Fe2 Ge4 O13 -
Comments: Redhammer, Günther J. Temperature-dependent crystal structure refinement and ^57^Fe Mössbauer spectroscopy of Cu~2~Fe~2~Ge~4~O~13~ Acta Crystallographica Section B 63(1) (2007) 4-16
Space group: P 1 21/m 1
Cell volume: 497.5
Cell parameters: 12.0861; 8.5008; 4.8704; 90; 96.167; 90;  

COD ID: 2102745
CIF file

Original IUCr paper

Formula: - Cu2 Fe2 Ge4 O13 -
Comments: Redhammer, Günther J. Temperature-dependent crystal structure refinement and ^57^Fe Mössbauer spectroscopy of Cu~2~Fe~2~Ge~4~O~13~ Acta Crystallographica Section B 63(1) (2007) 4-16
Space group: P 1 21/m 1
Cell volume: 497.63
Cell parameters: 12.088; 8.5019; 4.8703; 90; 96.17; 90;  

COD ID: 2102746
CIF file

Original IUCr paper

Formula: - Cu2 Fe2 Ge4 O13 -
Comments: Redhammer, Günther J. Temperature-dependent crystal structure refinement and ^57^Fe Mössbauer spectroscopy of Cu~2~Fe~2~Ge~4~O~13~ Acta Crystallographica Section B 63(1) (2007) 4-16
Space group: P 1 21/m 1
Cell volume: 497.85
Cell parameters: 12.0876; 8.5043; 4.8715; 90; 96.19; 90;  

COD ID: 2102747
CIF file

Original IUCr paper

Formula: - Cu2 Fe2 Ge4 O13 -
Comments: Redhammer, Günther J. Temperature-dependent crystal structure refinement and ^57^Fe Mössbauer spectroscopy of Cu~2~Fe~2~Ge~4~O~13~ Acta Crystallographica Section B 63(1) (2007) 4-16
Space group: P 1 21/m 1
Cell volume: 498.21
Cell parameters: 12.0883; 8.5076; 4.8727; 90; 96.18; 90;  

COD ID: 2102748
CIF file

Original IUCr paper

Formula: - Cu2 Fe2 Ge4 O13 -
Comments: Redhammer, Günther J. Temperature-dependent crystal structure refinement and ^57^Fe Mössbauer spectroscopy of Cu~2~Fe~2~Ge~4~O~13~ Acta Crystallographica Section B 63(1) (2007) 4-16
Space group: P 1 21/m 1
Cell volume: 499.18
Cell parameters: 12.0943; 8.5142; 4.8763; 90; 96.21; 90;  

COD ID: 2102749
CIF file

Original IUCr paper

Formula: - Cu2 Fe2 Ge4 O13 -
Comments: Redhammer, Günther J. Temperature-dependent crystal structure refinement and ^57^Fe Mössbauer spectroscopy of Cu~2~Fe~2~Ge~4~O~13~ Acta Crystallographica Section B 63(1) (2007) 4-16
Space group: P 1 21/m 1
Cell volume: 500.07
Cell parameters: 12.0971; 8.5205; 4.8803; 90; 96.22; 90;  

COD ID: 2102750
CIF file

Original IUCr paper

Formula: - Cu2 Fe2 Ge4 O13 -
Comments: Redhammer, Günther J. Temperature-dependent crystal structure refinement and ^57^Fe Mössbauer spectroscopy of Cu~2~Fe~2~Ge~4~O~13~ Acta Crystallographica Section B 63(1) (2007) 4-16
Space group: P 1 21/m 1
Cell volume: 501.1
Cell parameters: 12.1011; 8.529; 4.8841; 90; 96.24; 90;  

COD ID: 2102751
CIF file

Original IUCr paper

Formula: - Cu2 Fe2 Ge4 O13 -
Comments: Redhammer, Günther J. Temperature-dependent crystal structure refinement and ^57^Fe Mössbauer spectroscopy of Cu~2~Fe~2~Ge~4~O~13~ Acta Crystallographica Section B 63(1) (2007) 4-16
Space group: P 1 21/m 1
Cell volume: 502.01
Cell parameters: 12.1039; 8.5353; 4.8886; 90; 96.28; 90;  

COD ID: 2102752
CIF file

Original IUCr paper

Formula: - Cu2 Fe2 Ge4 O13 -
Comments: Redhammer, Günther J. Temperature-dependent crystal structure refinement and ^57^Fe Mössbauer spectroscopy of Cu~2~Fe~2~Ge~4~O~13~ Acta Crystallographica Section B 63(1) (2007) 4-16
Space group: P 1 21/m 1
Cell volume: 502.45
Cell parameters: 12.1073; 8.538; 4.8899; 90; 96.28; 90;  

COD ID: 2102753
CIF file

Original IUCr paper

Formula: - Cu2 Fe2 Ge4 O13 -
Comments: Redhammer, Günther J. Temperature-dependent crystal structure refinement and ^57^Fe Mössbauer spectroscopy of Cu~2~Fe~2~Ge~4~O~13~ Acta Crystallographica Section B 63(1) (2007) 4-16
Space group: P 1 21/m 1
Cell volume: 502.9
Cell parameters: 12.1083; 8.5422; 4.8916; 90; 96.295; 90;  

COD ID: 2102754
CIF file

Original IUCr paper

Formula: - Cu2 Fe2 Ge4 O13 -
Comments: Redhammer, Günther J. Temperature-dependent crystal structure refinement and ^57^Fe Mössbauer spectroscopy of Cu~2~Fe~2~Ge~4~O~13~ Acta Crystallographica Section B 63(1) (2007) 4-16
Space group: P 1 21/m 1
Cell volume: 508.1
Cell parameters: 12.149; 8.577; 4.9048; 90; 96.25; 90;  

COD ID: 2102755
CIF file

Original IUCr paper

Formula: - Cu2 Fe2 Ge4 O13 -
Comments: Redhammer, Günther J. Temperature-dependent crystal structure refinement and ^57^Fe Mössbauer spectroscopy of Cu~2~Fe~2~Ge~4~O~13~ Acta Crystallographica Section B 63(1) (2007) 4-16
Space group: P 1 21/m 1
Cell volume: 504.47
Cell parameters: 12.1165; 8.5535; 4.8974; 90; 96.326; 90;  

COD ID: 2102756
CIF file

Original IUCr paper

Formula: - C12 H9 Cl N4 O3 -
Comments: Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher Three isomeric 1-(2-chloronicotinoyl)-2-(nitrophenyl)hydrazines, including three polymorphs of 1-(2-chloronicotinoyl)-2-(2-nitrophenyl)hydrazine: hydrogen-bonded supramolecular structures in two and three dimensions Acta Crystallographica Section B 63(1) (2007) 101-110
Space group: C 1 c 1
Cell volume: 1246.73
Cell parameters: 4.8443; 22.7344; 11.4216; 90; 97.636; 90;  

COD ID: 2102757
CIF file

Original IUCr paper

Formula: - C12 H9 Cl N4 O3 -
Comments: Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher Three isomeric 1-(2-chloronicotinoyl)-2-(nitrophenyl)hydrazines, including three polymorphs of 1-(2-chloronicotinoyl)-2-(2-nitrophenyl)hydrazine: hydrogen-bonded supramolecular structures in two and three dimensions Acta Crystallographica Section B 63(1) (2007) 101-110
Space group: P 1 21 1
Cell volume: 605.75
Cell parameters: 6.1515; 4.7875; 20.748; 90; 97.54; 90;  

COD ID: 2102758
CIF file

Original IUCr paper

Formula: - C12 H9 Cl N4 O3 -
Comments: Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher Three isomeric 1-(2-chloronicotinoyl)-2-(nitrophenyl)hydrazines, including three polymorphs of 1-(2-chloronicotinoyl)-2-(2-nitrophenyl)hydrazine: hydrogen-bonded supramolecular structures in two and three dimensions Acta Crystallographica Section B 63(1) (2007) 101-110
Space group: P b c n
Cell volume: 2488.58
Cell parameters: 22.2727; 8.2207; 13.5916; 90; 90; 90;  

COD ID: 2102759
CIF file

Original IUCr paper

Formula: - C12 H9 Cl N4 O3 -
Comments: Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher Three isomeric 1-(2-chloronicotinoyl)-2-(nitrophenyl)hydrazines, including three polymorphs of 1-(2-chloronicotinoyl)-2-(2-nitrophenyl)hydrazine: hydrogen-bonded supramolecular structures in two and three dimensions Acta Crystallographica Section B 63(1) (2007) 101-110
Space group: P 1 21/c 1
Cell volume: 1240.7
Cell parameters: 9.0691; 19.6472; 7.4302; 90; 110.424; 90;  

COD ID: 2102760
CIF file

Original IUCr paper

Formula: - C12 H9 Cl N4 O3 -
Comments: Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher Three isomeric 1-(2-chloronicotinoyl)-2-(nitrophenyl)hydrazines, including three polymorphs of 1-(2-chloronicotinoyl)-2-(2-nitrophenyl)hydrazine: hydrogen-bonded supramolecular structures in two and three dimensions Acta Crystallographica Section B 63(1) (2007) 101-110
Space group: C 1 c 1
Cell volume: 1282.76
Cell parameters: 4.5811; 24.8913; 11.2782; 90; 94.095; 90;  

COD ID: 2102761
CIF file

HKL data

Original IUCr paper

Formula: - Al O4 P -
Comments: Cao, Guang; Afeworki, Mobae; Kennedy, Gordon J.; Strohmaier, Karl G.; Dorset, Douglas L. Structure of an aluminophosphate EMM-8: a multi-technique approach Acta Crystallographica Section B 63(1) (2007) 56-62
Space group: C 1 2/c 1
Cell volume: 4311.34
Cell parameters: 22.5541; 13.7357; 14.0756; 90; 98.6174; 90;  

COD ID: 2102762
CIF file

Original IUCr paper

Formula: - D0.46 Li2 Si -
Comments: Wu, Hui; Hartman, Michael R.; Udovic, Terrence J.; Rush, John J.; Zhou, Wei; Bowman Jr, Robert C.; Vajo, John J. Structure of the novel ternary hydrides Li~4~<i>Tt</i>~2~D (<i>Tt</i> = Si and Ge) Acta Crystallographica Section B 63(1) (2007) 63-68
Space group: C m m m
Cell volume: 187.105
Cell parameters: 11.9099; 3.76253; 4.1754; 90; 90; 90;  

COD ID: 2102763
CIF file

Original IUCr paper

Formula: - Si -
Comments: Wu, Hui; Hartman, Michael R.; Udovic, Terrence J.; Rush, John J.; Zhou, Wei; Bowman Jr, Robert C.; Vajo, John J. Structure of the novel ternary hydrides Li~4~<i>Tt</i>~2~D (<i>Tt</i> = Si and Ge) Acta Crystallographica Section B 63(1) (2007) 63-68
Space group: F d -3 m :2
Cell volume: 159.848
Cell parameters: 5.42712; 5.42712; 5.42712; 90; 90; 90;  

COD ID: 2102764
CIF file

Original IUCr paper

Formula: - D Li -
Comments: Wu, Hui; Hartman, Michael R.; Udovic, Terrence J.; Rush, John J.; Zhou, Wei; Bowman Jr, Robert C.; Vajo, John J. Structure of the novel ternary hydrides Li~4~<i>Tt</i>~2~D (<i>Tt</i> = Si and Ge) Acta Crystallographica Section B 63(1) (2007) 63-68
Space group: F m -3 m
Cell volume: 67.593
Cell parameters: 4.0735; 4.0735; 4.0735; 90; 90; 90;  

COD ID: 2102765
CIF file

Original IUCr paper

Formula: - Li12 Si7 -
Comments: Wu, Hui; Hartman, Michael R.; Udovic, Terrence J.; Rush, John J.; Zhou, Wei; Bowman Jr, Robert C.; Vajo, John J. Structure of the novel ternary hydrides Li~4~<i>Tt</i>~2~D (<i>Tt</i> = Si and Ge) Acta Crystallographica Section B 63(1) (2007) 63-68
Space group: P n m a
Cell volume: 2433.9
Cell parameters: 8.59576; 19.77464; 14.3189; 90; 90; 90;  

COD ID: 2102766
CIF file

HKL data

Original IUCr paper

Formula: - C12 H8 Cl F -
Comments: Luthe, G.; Swenson, D. C.; Robertson, L. W. Influence of fluoro-substitution on the planarity of 4-chlorobiphenyl (PCB 3) Acta Crystallographica Section B 63(2) (2007) 319-327
Space group: P b c a
Cell volume: 1917
Cell parameters: 11.9836; 7.382; 21.67; 90; 90; 90;  

COD ID: 2102767
CIF file

HKL data

Original IUCr paper

Formula: - C12 H8 Cl F -
Comments: Luthe, G.; Swenson, D. C.; Robertson, L. W. Influence of fluoro-substitution on the planarity of 4-chlorobiphenyl (PCB 3) Acta Crystallographica Section B 63(2) (2007) 319-327
Space group: C 1 2/c 1
Cell volume: 1918.4
Cell parameters: 17.4184; 5.8649; 19.44; 90; 104.981; 90;  

COD ID: 2102768
CIF file

HKL data

Original IUCr paper

Formula: - C12 H8 Cl F -
Comments: Luthe, G.; Swenson, D. C.; Robertson, L. W. Influence of fluoro-substitution on the planarity of 4-chlorobiphenyl (PCB 3) Acta Crystallographica Section B 63(2) (2007) 319-327
Space group: C 1 2/c 1
Cell volume: 1943.8
Cell parameters: 17.9426; 6.0863; 18.3206; 90; 103.701; 90;  

COD ID: 2102769
CIF file

HKL data

Original IUCr paper

Formula: - C12 H8 Cl F -
Comments: Luthe, G.; Swenson, D. C.; Robertson, L. W. Influence of fluoro-substitution on the planarity of 4-chlorobiphenyl (PCB 3) Acta Crystallographica Section B 63(2) (2007) 319-327
Space group: P 1 21/n 1
Cell volume: 958.3
Cell parameters: 11.3527; 3.9099; 21.92; 90; 99.966; 90;  

COD ID: 2102770
CIF file

HKL data

Original IUCr paper

Formula: - C12 H8 Cl F -
Comments: Luthe, G.; Swenson, D. C.; Robertson, L. W. Influence of fluoro-substitution on the planarity of 4-chlorobiphenyl (PCB 3) Acta Crystallographica Section B 63(2) (2007) 319-327
Space group: P 1 21/n 1
Cell volume: 1956
Cell parameters: 9.55; 13.1441; 15.6777; 90; 96.323; 90;  

COD ID: 2102771
CIF file

Original IUCr paper

Formula: - C42 H54 Cl6 O4 -
Comments: Bartalucci, Giuditta; Coppin, Jennifer; Fisher, Stuart; Hall, Gillian; Helliwell, John R.; Helliwell, Madeleine; Liaaen-Jensen, Synnøve Unravelling the chemical basis of the bathochromic shift in the lobster carapace; new crystal structures of unbound astaxanthin, canthaxanthin and zeaxanthin Acta Crystallographica Section B 63(2) (2007) 328-337
Space group: P -1
Cell volume: 1065
Cell parameters: 5.9588; 11.8583; 15.647; 79.036; 80.499; 82.506;  

COD ID: 2102772
CIF file

HKL data

Original IUCr paper

Formula: - C50 H62 N2 O4 -
Comments: Bartalucci, Giuditta; Coppin, Jennifer; Fisher, Stuart; Hall, Gillian; Helliwell, John R.; Helliwell, Madeleine; Liaaen-Jensen, Synnøve Unravelling the chemical basis of the bathochromic shift in the lobster carapace; new crystal structures of unbound astaxanthin, canthaxanthin and zeaxanthin Acta Crystallographica Section B 63(2) (2007) 328-337
Space group: P 1 21/n 1
Cell volume: 2168.7
Cell parameters: 18.568; 6.1926; 19.803; 90; 107.746; 90;  

COD ID: 2102773
CIF file

HKL data

Original IUCr paper

Formula: - C40 H52 O4 -
Comments: Bartalucci, Giuditta; Coppin, Jennifer; Fisher, Stuart; Hall, Gillian; Helliwell, John R.; Helliwell, Madeleine; Liaaen-Jensen, Synnøve Unravelling the chemical basis of the bathochromic shift in the lobster carapace; new crystal structures of unbound astaxanthin, canthaxanthin and zeaxanthin Acta Crystallographica Section B 63(2) (2007) 328-337
Space group: P -1
Cell volume: 917.93
Cell parameters: 8.5371; 8.6632; 13.2984; 95.145; 107.409; 98.765;  

COD ID: 2102774
CIF file

HKL data

Original IUCr paper

Formula: - C40 H52 O2 -
Comments: Bartalucci, Giuditta; Coppin, Jennifer; Fisher, Stuart; Hall, Gillian; Helliwell, John R.; Helliwell, Madeleine; Liaaen-Jensen, Synnøve Unravelling the chemical basis of the bathochromic shift in the lobster carapace; new crystal structures of unbound astaxanthin, canthaxanthin and zeaxanthin Acta Crystallographica Section B 63(2) (2007) 328-337
Space group: P -1
Cell volume: 1702.9
Cell parameters: 8.5068; 14.2208; 15.5262; 105.87; 95.227; 106.512;  

COD ID: 2102775
CIF file

HKL data

Original IUCr paper

Formula: - C40 H52 O2 -
Comments: Bartalucci, Giuditta; Coppin, Jennifer; Fisher, Stuart; Hall, Gillian; Helliwell, John R.; Helliwell, Madeleine; Liaaen-Jensen, Synnøve Unravelling the chemical basis of the bathochromic shift in the lobster carapace; new crystal structures of unbound astaxanthin, canthaxanthin and zeaxanthin Acta Crystallographica Section B 63(2) (2007) 328-337
Space group: P -1
Cell volume: 1769.2
Cell parameters: 8.5919; 14.3168; 15.9405; 105.569; 96.118; 107.024;  

COD ID: 2102776
CIF file

HKL data

Original IUCr paper

Formula: - C40 H62 O5 -
Comments: Bartalucci, Giuditta; Coppin, Jennifer; Fisher, Stuart; Hall, Gillian; Helliwell, John R.; Helliwell, Madeleine; Liaaen-Jensen, Synnøve Unravelling the chemical basis of the bathochromic shift in the lobster carapace; new crystal structures of unbound astaxanthin, canthaxanthin and zeaxanthin Acta Crystallographica Section B 63(2) (2007) 328-337
Space group: C 1 2/c 1
Cell volume: 3955
Cell parameters: 49.67; 13.181; 6.0588; 90; 94.425; 90;  

COD ID: 2102777
CIF file

Original IUCr paper

Formula: - Ba O9 V4 -
Comments: Reeswinkel, T.; Prinz, S.; Sparta, K. M.; Roth, G. Synthesis and structural characterization of BaV~4~O~9~ Acta Crystallographica Section B 63(2) (2007) 270-276
Space group: P 1 2/c 1
Cell volume: 329.13
Cell parameters: 7.6396; 4.9447; 9.3596; 90; 111.427; 90;  

COD ID: 2102778
CIF file

Original IUCr paper

Formula: - Ba O9 V4 -
Comments: Reeswinkel, T.; Prinz, S.; Sparta, K. M.; Roth, G. Synthesis and structural characterization of BaV~4~O~9~ Acta Crystallographica Section B 63(2) (2007) 270-276
Space group: P 1 2/c 1
Cell volume: 328.35
Cell parameters: 7.6303; 4.9405; 9.3547; 90; 111.395; 90;  

COD ID: 2102779
CIF file

Original IUCr paper

Formula: - Ba O9 V4 -
Comments: Reeswinkel, T.; Prinz, S.; Sparta, K. M.; Roth, G. Synthesis and structural characterization of BaV~4~O~9~ Acta Crystallographica Section B 63(2) (2007) 270-276
Space group: P 1 2/c 1
Cell volume: 327.76
Cell parameters: 7.6231; 4.937; 9.3528; 90; 111.386; 90;  

COD ID: 2102780
CIF file

Original IUCr paper

Formula: - Ba O9 V4 -
Comments: Reeswinkel, T.; Prinz, S.; Sparta, K. M.; Roth, G. Synthesis and structural characterization of BaV~4~O~9~ Acta Crystallographica Section B 63(2) (2007) 270-276
Space group: P 1 2/c 1
Cell volume: 326.86
Cell parameters: 7.614; 4.9319; 9.347; 90; 111.371; 90;  

COD ID: 2102781
CIF file

Original IUCr paper

Formula: - Ba O9 V4 -
Comments: Reeswinkel, T.; Prinz, S.; Sparta, K. M.; Roth, G. Synthesis and structural characterization of BaV~4~O~9~ Acta Crystallographica Section B 63(2) (2007) 270-276
Space group: P 1 2/c 1
Cell volume: 326.41
Cell parameters: 7.6084; 4.9291; 9.3464; 90; 111.371; 90;  

COD ID: 2102782
CIF file

Original IUCr paper

Formula: - C7 H6 O4 -
Comments: Parkin, Andrew; Adam, Martin; Cooper, Richard I.; Middlemiss, Derek S.; Wilson, Chick C. Structure and hydrogen bonding in 2,4-dihydroxybenzoic acid at 90, 100, 110 and 150K; a theoretical and single-crystal X-ray diffraction study Acta Crystallographica Section B 63(2) (2007) 303-308
Space group: P 1 21/n 1
Cell volume: 646.58
Cell parameters: 3.6686; 22.333; 8.0046; 90; 99.63; 90;  

COD ID: 2102783
CIF file

Original IUCr paper

Formula: - C7 H6 O4 -
Comments: Parkin, Andrew; Adam, Martin; Cooper, Richard I.; Middlemiss, Derek S.; Wilson, Chick C. Structure and hydrogen bonding in 2,4-dihydroxybenzoic acid at 90, 100, 110 and 150K; a theoretical and single-crystal X-ray diffraction study Acta Crystallographica Section B 63(2) (2007) 303-308
Space group: P 1 21/n 1
Cell volume: 647.68
Cell parameters: 3.6721; 22.341; 8.007; 90; 99.602; 90;  

COD ID: 2102784
CIF file

HKL data

Original IUCr paper

Formula: - C7 H6 O4 -
Comments: Parkin, Andrew; Adam, Martin; Cooper, Richard I.; Middlemiss, Derek S.; Wilson, Chick C. Structure and hydrogen bonding in 2,4-dihydroxybenzoic acid at 90, 100, 110 and 150K; a theoretical and single-crystal X-ray diffraction study Acta Crystallographica Section B 63(2) (2007) 303-308
Space group: P 1 21/n 1
Cell volume: 648.08
Cell parameters: 3.6742; 22.341; 8.0065; 90; 99.567; 90;  

COD ID: 2102785
CIF file

Original IUCr paper

Formula: - C7 H6 O4 -
Comments: Parkin, Andrew; Adam, Martin; Cooper, Richard I.; Middlemiss, Derek S.; Wilson, Chick C. Structure and hydrogen bonding in 2,4-dihydroxybenzoic acid at 90, 100, 110 and 150K; a theoretical and single-crystal X-ray diffraction study Acta Crystallographica Section B 63(2) (2007) 303-308
Space group: P 1 21/n 1
Cell volume: 651.2
Cell parameters: 3.6854; 22.367; 8.0085; 90; 99.448; 90;  

COD ID: 2102786
CIF file

HKL data

Original IUCr paper

Formula: - C6 H3 N5 O6 -
Comments: Chen, Yu-Sheng; Stash, Adam I.; Pinkerton, A. Alan Chemical bonding and intermolecular interactions in energetic materials: 1,3,4-trinitro-7,8-diazapentalene Acta Crystallographica, Section B: Structural Science 63(2) (2007) 309-318
Space group: P c a 21
Cell volume: 871.78
Cell parameters: 13.3229; 7.0005; 9.3471; 90; 90; 90;  

COD ID: 2102787
CIF file

Original IUCr paper

Formula: - Ca3.333 Nb2.666 O11.333 Ti0.667 -
Comments: Guevarra, Jonathan; van Smaalen, Sander; Schönleber, Andreas; Lichtenberg, Frank Superspace description of the crystal structures of Ca~<i>n~</i>(Nb,Ti)~<i>n~</i>O~3<i>n~+2</i> (<i>n</i> = 5 and 6) Acta Crystallographica Section B 63(2) (2007) 183-189
Space group:
Cell volume: 224.77
Cell parameters: 7.6889; 5.3381; 5.4763; 90; 90; 89.921;  

COD ID: 2102788
CIF file

Original IUCr paper

Formula: - Ca3.429 Nb2.606 O11.429 Ti0.823 -
Comments: Guevarra, Jonathan; van Smaalen, Sander; Schönleber, Andreas; Lichtenberg, Frank Superspace description of the crystal structures of Ca~<i>n~</i>(Nb,Ti)~<i>n~</i>O~3<i>n~+2</i> (<i>n</i> = 5 and 6) Acta Crystallographica Section B 63(2) (2007) 183-189
Space group:
Cell volume: 225.165
Cell parameters: 7.6805; 5.3641; 5.4653; 90; 90; 90.036;  

COD ID: 2102789
CIF file

HKL data

Original IUCr paper

Formula: - Cl2 H8 Mg O4 -
Comments: Sugimoto, Kunihisa; E. Dinnebier, Robert; Jonathan C. Hanson Structures of three dehydration products of bischofite from <i>in situ</i> synchrotron powder diffraction data (MgCl~2~·<i>n</i>H~2~O; <i>n</i> = 1, 2, 4) Acta Crystallographica Section B 63(2) (2007) 235-242
Space group: C m c m
Cell volume: 339.04
Cell parameters: 4.21616; 11.023; 7.2951; 90; 90; 90;  

COD ID: 2102790
CIF file

Original IUCr paper

Formula: - Cl2 H4 Mg O2 -
Comments: Sugimoto, Kunihisa; E. Dinnebier, Robert; Jonathan C. Hanson Crystal structures of dehydration products of Bischofite, MgCl2 nH2O (n = 1, 2, 4) from in situ synchrotron powder diffraction data Acta Crystallographica, Section B 63(2) (2007) 235-242
Space group: C 1 2/m 1
Cell volume: 229.89
Cell parameters: 7.4279; 8.5736; 3.65065; 90; 98.58; 90;  

COD ID: 2102791
CIF file

Original IUCr paper

Formula: - Cl2 H2 Mg O -
Comments: Sugimoto, Kunihisa; E. Dinnebier, Robert; Jonathan C. Hanson Crystal structures of dehydration products of Bischofite, MgCl2 nH2O (n = 1, 2, 4) from in situ synchrotron powder diffraction data Acta Crystallographica, Section B 63(2) (2007) 235-242
Space group: P n m a
Cell volume: 371.95
Cell parameters: 8.9171; 3.63421; 11.4775; 90; 90; 90;  

COD ID: 2102792
CIF file

Original IUCr paper

Formula: ?
Comments: Radha A. V.; Kamath, P. Vishnu; Shivakumara, C. Order and disorder among the layered double hydroxides: a combined Rietveld and DIFFaX approach Acta Crystallographica, Section B: Structural Science 63(2) (2007) 243-250
Space group: R -3 m :H
Cell volume: 181.68
Cell parameters: 3.04245; 3.04245; 22.6641426; 90; 90; 120;  

COD ID: 2102793
CIF file

Original IUCr paper

Formula: ?
Comments: Radha A. V.; Kamath, P. Vishnu; Shivakumara, C. Order and disorder among the layered double hydroxides: a combined Rietveld and DIFFaX approach Acta Crystallographica, Section B: Structural Science 63(2) (2007) 243-250
Space group: R -3 m :H
Cell volume: 183.93
Cell parameters: 3.066045; 3.066045; 22.5931129; 90; 90; 120;  

COD ID: 2102794
CIF file

Original IUCr paper

Formula: - Ca5 V3 O12 F -
Comments: Baikie, T; Elcombe, M; Kim, J.Y; Mercier, P.H.J; Mitchell, L.D; White, T.J; Whitfield, P.S Triclinic apatites Acta Crystallographica, Section B 63(2) (2007) 251-256
Space group: P -1
Cell volume: 570.46
Cell parameters: 9.6987; 9.6933; 7.017; 90.637; 89.172; 120.136;  

COD ID: 2102795
CIF file

Original IUCr paper

Formula: - Ca5 As3 O12 F -
Comments: Baikie, T; Elcombe, M; Kim, J.Y; Mercier, P.H.J; Mitchell, L.D; White, T.J; Whitfield, P.S Triclinic apatites Acta Crystallographica, Section B 63(2) (2007) 251-256
Space group: P -1
Cell volume: 565.15
Cell parameters: 9.6841; 9.6906; 6.9815; 90.623; 88.869; 120.371;  

COD ID: 2102796
CIF file

Original IUCr paper

Formula: - C13 H9 Br O -
Comments: Strzhemechny, Mikhail A.; Baumer, Vyacheslav N.; Avdeenko, Anatoli A.; Pyshkin, Oleg S.; Romashkin, Roman V.; Buravtseva, Lyubov M. Polymorphism of 4-bromobenzophenone Acta Crystallographica Section B 63(2) (2007) 296-302
Space group: P 1 21/c 1
Cell volume: 1084.5
Cell parameters: 12.124; 14.646; 6.1585; 90; 97.38; 90;  

COD ID: 2102797
CIF file

Original IUCr paper

Formula: - C13 H9 Br O -
Comments: Strzhemechny, Mikhail A.; Baumer, Vyacheslav N.; Avdeenko, Anatoli A.; Pyshkin, Oleg S.; Romashkin, Roman V.; Buravtseva, Lyubov M. Polymorphism of 4-bromobenzophenone Acta Crystallographica Section B 63(2) (2007) 296-302
Space group: P 1 21/c 1
Cell volume: 1053.7
Cell parameters: 12.092; 14.343; 6.1243; 90; 97.26; 90;  

COD ID: 2102798
CIF file

Original IUCr paper

Formula: - C13 H9 Br O -
Comments: Strzhemechny, Mikhail A.; Baumer, Vyacheslav N.; Avdeenko, Anatoli A.; Pyshkin, Oleg S.; Romashkin, Roman V.; Buravtseva, Lyubov M. Polymorphism of 4-bromobenzophenone Acta Crystallographica Section B 63(2) (2007) 296-302
Space group: P -1
Cell volume: 526.64
Cell parameters: 6.1056; 7.2931; 12.0999; 98.197; 98.735; 91.111;  

COD ID: 2102799
CIF file

Original IUCr paper

Formula: - As3 Cs O8 -
Comments: Schwendtner, Karolina; Kolitsch, Uwe Octahedral As in <i>M</i>^+^ arsenates ‒ architecture and seven new members Acta Crystallographica Section B 63(2) (2007) 205-215
Space group: C 1 2/c 1
Cell volume: 697.4
Cell parameters: 8.515; 11.69; 7.595; 90; 112.7; 90;  

COD ID: 2102800
CIF file

Original IUCr paper

Formula: - As4 H3 K O12 -
Comments: Schwendtner, Karolina; Kolitsch, Uwe Octahedral As in <i>M</i>^+^ arsenates ‒ architecture and seven new members Acta Crystallographica Section B 63(2) (2007) 205-215
Space group: P -1
Cell volume: 238.08
Cell parameters: 5.154; 6.967; 7.532; 63.9; 78.61; 84.35;  

COD ID: 2102801
CIF file

Original IUCr paper

Formula: - As2 H K O6 -
Comments: Schwendtner, Karolina; Kolitsch, Uwe Octahedral As in <i>M</i>^+^ arsenates ‒ architecture and seven new members Acta Crystallographica Section B 63(2) (2007) 205-215
Space group: P 1 21/c 1
Cell volume: 531.46
Cell parameters: 6.051; 9.727; 9.054; 90; 94.21; 90;  

COD ID: 2102802
CIF file

Original IUCr paper

Formula: - As3 H2 Li O9 -
Comments: Schwendtner, Karolina; Kolitsch, Uwe Octahedral As in <i>M</i>^+^ arsenates ‒ architecture and seven new members Acta Crystallographica Section B 63(2) (2007) 205-215
Space group: P 1 21/n 1
Cell volume: 728.7
Cell parameters: 9.666; 8.553; 9.97; 90; 117.86; 90;  

COD ID: 2102803
CIF file

Original IUCr paper

Formula: - As4 H6 Li2 O14 -
Comments: Schwendtner, Karolina; Kolitsch, Uwe Octahedral As in <i>M</i>^+^ arsenates ‒ architecture and seven new members Acta Crystallographica Section B 63(2) (2007) 205-215
Space group: C 1 2/m 1
Cell volume: 531.4
Cell parameters: 11.456; 9.133; 5.63; 90; 115.56; 90;  

COD ID: 2102804
CIF file

Original IUCr paper

Formula: - As4 H3 O12 Rb -
Comments: Schwendtner, Karolina; Kolitsch, Uwe Octahedral As in <i>M</i>^+^ arsenates ‒ architecture and seven new members Acta Crystallographica Section B 63(2) (2007) 205-215
Space group: P -1
Cell volume: 248.36
Cell parameters: 5.169; 7.036; 7.766; 63.31; 79.87; 84.38;  

COD ID: 2102805
CIF file

HKL data

Original IUCr paper

Formula: - Ag As3 H2 O9 -
Comments: Schwendtner, Karolina; Kolitsch, Uwe Octahedral As in <i>M</i>^+^ arsenates ‒ architecture and seven new members Acta Crystallographica Section B 63(2) (2007) 205-215
Space group: P -1
Cell volume: 354.8
Cell parameters: 7.162; 7.678; 7.88; 110.72; 106.47; 105.43;  

COD ID: 2102806
CIF file

Original IUCr paper

Formula: - Br3 Cs Eu -
Comments: Ehrenberg, Helmut; Fuess, Hartmut; Hesse, Sabine; Zimmermann, Joerg; von Seggern, Heinz; Knapp, Michael Structures of CsEuBr~3~ and its degradation product Cs~2~EuBr~5~·10H~2~O Acta Crystallographica Section B 63(2) (2007) 201-204
Space group: P b n m
Cell volume: 806.5
Cell parameters: 8.242; 8.3027; 11.785; 90; 90; 90;  

COD ID: 2102807
CIF file

Original IUCr paper

Formula: - Br5 Cs2 Eu H20 O10 -
Comments: Ehrenberg, Helmut; Fuess, Hartmut; Hesse, Sabine; Zimmermann, Joerg; von Seggern, Heinz; Knapp, Michael Structures of CsEuBr~3~ and its degradation product Cs~2~EuBr~5~·10H~2~O Acta Crystallographica Section B 63(2) (2007) 201-204
Space group: P b c m
Cell volume: 2203.1
Cell parameters: 8.047; 13.998; 19.558; 90; 90; 90;  

COD ID: 2102808
CIF file

Original IUCr paper

Formula: - C13 H13 N O4 -
Comments: Ľubomír Smrčok; Vladimír Jorík; Eva Scholtzovaá; Viktor Milata <i>Ab initio</i> structure determination of 5-anilinomethylene-2,2-dimethyl-1,3-dioxane-4,6-dione from laboratory powder data ‒ a combined use of X-ray, molecular and solid-state DFT study Acta Crystallographica Section B 63(3) (2007) 477-484
Space group: P -1
Cell volume: 621.434
Cell parameters: 10.6031; 11.5968; 5.5032; 97.879; 103.891; 71.457;  

COD ID: 2102809
CIF file

Original IUCr paper

Formula: - C6 H12 N2 O8 -
Comments: Chitra, R.; Choudhury, R. R Investigation of hydrogen-bond network in bis(glycinium) oxalate using single-crystal neutron diffraction and spectroscopic studies Acta Crystallographica Section B 63(3) (2007) 497-504
Space group: P 1 21/n 1
Cell volume: 528.6
Cell parameters: 4.934; 9.955; 10.854; 90; 97.44; 90;  

COD ID: 2102810
CIF file

Original IUCr paper

Formula: - C10 H20 N4 O8 -
Comments: Selvaraj, M.; Thamotharan, S.; Roy, Siddhartha; Vijayan, M. X-ray studies of crystalline complexes involving amino acids and peptides. XLIV. Invariant features of supramolecular association and chiral effects in the complexes of arginine and lysine with tartaric acid Acta Crystallographica Section B 63(3) (2007) 459-468
Space group: P -1
Cell volume: 714.2
Cell parameters: 5.4876; 10.021; 13.868; 109.079; 94.378; 94.538;  

COD ID: 2102811
CIF file

Original IUCr paper

Formula: - C16 H34 N8 O10 -
Comments: Selvaraj, M.; Thamotharan, S.; Roy, Siddhartha; Vijayan, M. X-ray studies of crystalline complexes involving amino acids and peptides. XLIV. Invariant features of supramolecular association and chiral effects in the complexes of arginine and lysine with tartaric acid Acta Crystallographica Section B 63(3) (2007) 459-468
Space group: P 1 21 1
Cell volume: 1149.9
Cell parameters: 9.907; 8.7428; 14.076; 90; 109.412; 90;  

COD ID: 2102812
CIF file

Original IUCr paper

Formula: - C16 H36 N4 O11 -
Comments: Selvaraj, M.; Thamotharan, S.; Roy, Siddhartha; Vijayan, M. X-ray studies of crystalline complexes involving amino acids and peptides. XLIV. Invariant features of supramolecular association and chiral effects in the complexes of arginine and lysine with tartaric acid Acta Crystallographica Section B 63(3) (2007) 459-468
Space group: P 1 21/c 1
Cell volume: 2184.1
Cell parameters: 10.087; 23.003; 9.414; 90; 90.82; 90;  

COD ID: 2102813
CIF file

Original IUCr paper

Formula: - C10 H20 N2 O8 -
Comments: Selvaraj, M.; Thamotharan, S.; Roy, Siddhartha; Vijayan, M. X-ray studies of crystalline complexes involving amino acids and peptides. XLIV. Invariant features of supramolecular association and chiral effects in the complexes of arginine and lysine with tartaric acid Acta Crystallographica Section B 63(3) (2007) 459-468
Space group: P 1 21 1
Cell volume: 658.7
Cell parameters: 5.1849; 16.667; 7.6701; 90; 96.366; 90;  

COD ID: 2102814
CIF file

Original IUCr paper

Formula: - C10 H20 N2 O8 -
Comments: Selvaraj, M.; Thamotharan, S.; Roy, Siddhartha; Vijayan, M. X-ray studies of crystalline complexes involving amino acids and peptides. XLIV. Invariant features of supramolecular association and chiral effects in the complexes of arginine and lysine with tartaric acid Acta Crystallographica Section B 63(3) (2007) 459-468
Space group: P 1 21 1
Cell volume: 665.6
Cell parameters: 5.1022; 17.444; 7.547; 90; 97.748; 90;  

COD ID: 2102815
CIF file

Original IUCr paper

Formula: - C2 H2 Cs2 O5 -
Comments: Weller, Mark T.; Henry, Paul F.; Light, Mark E. Rapid structure determination of the hydrogen-containing compound Cs~2~C~2~O~4~·H~2~O by joint single-crystal X-ray and powder neutron diffraction Acta Crystallographica Section B 63(3) (2007) 426-432
Space group: C 1 2/c 1
Cell volume: 722.94
Cell parameters: 10.0748; 6.6473; 11.2997; 90; 107.189; 90;  

COD ID: 2102816
CIF file

Original IUCr paper

Formula: - C2 H2 Cs2 O5 -
Comments: Weller, Mark T.; Henry, Paul F.; Light, Mark E. Rapid structure determination of the hydrogen-containing compound Cs~2~C~2~O~4~·H~2~O by joint single-crystal X-ray and powder neutron diffraction Acta Crystallographica Section B 63(3) (2007) 426-432
Space group: C 1 2/c 1
Cell volume: 728
Cell parameters: 10.1127; 6.6535; 11.3257; 90; 107.19; 90;  

COD ID: 2102817
CIF file

Original IUCr paper

Formula: - C2 H2 Cs2 O5 -
Comments: Weller, Mark T.; Henry, Paul F.; Light, Mark E. Rapid structure determination of the hydrogen-containing compound Cs~2~C~2~O~4~·H~2~O by joint single-crystal X-ray and powder neutron diffraction Acta Crystallographica Section B 63(3) (2007) 426-432
Space group: C 1 2/c 1
Cell volume: 722.9
Cell parameters: 10.075; 6.6473; 11.2997; 90; 107.189; 90;  

COD ID: 2102818
CIF file

Original IUCr paper

Formula: - C2 H2 Cs2 O5 -
Comments: Weller, Mark T.; Henry, Paul F.; Light, Mark E. Rapid structure determination of the hydrogen-containing compound Cs~2~C~2~O~4~·H~2~O by joint single-crystal X-ray and powder neutron diffraction Acta Crystallographica Section B 63(3) (2007) 426-432
Space group: C 1 2/c 1
Cell volume: 727.98
Cell parameters: 10.1125; 6.6535; 11.3255; 90; 107.191; 90;  

COD ID: 2102819
CIF file

Original IUCr paper

Formula: - C6 H13 N O3 S -
Comments: Leban, Ivan; Rudan-Tasic, Darja; Lah, Nina; Klofutar, Cveto Structures of artificial sweeteners ‒ cyclamic acid and sodium cyclamate with other cyclamates Acta Crystallographica Section B 63(3) (2007) 418-425
Space group: P 1 2/c 1
Cell volume: 849.76
Cell parameters: 8.1711; 10.9972; 9.4601; 90; 91.575; 90;  

COD ID: 2102820
CIF file

Original IUCr paper

Formula: - C6 H12 N Na O3 S -
Comments: Leban, Ivan; Rudan-Tasic, Darja; Lah, Nina; Klofutar, Cveto Structures of artificial sweeteners ‒ cyclamic acid and sodium cyclamate with other cyclamates Acta Crystallographica Section B 63(3) (2007) 418-425
Space group: C 1 2/c 1
Cell volume: 1665.2
Cell parameters: 31.083; 6.2718; 8.5682; 90; 94.481; 90;  

COD ID: 2102821
CIF file

Original IUCr paper

Formula: - C6 H12 K N O3 S -
Comments: Leban, Ivan; Rudan-Tasic, Darja; Lah, Nina; Klofutar, Cveto Structures of artificial sweeteners ‒ cyclamic acid and sodium cyclamate with other cyclamates Acta Crystallographica Section B 63(3) (2007) 418-425
Space group: C 1 2/c 1
Cell volume: 1807
Cell parameters: 33.656; 6.274; 8.572; 90; 93.35; 90;  

COD ID: 2102822
CIF file

Original IUCr paper

Formula: - C6 H16 N2 O3 S -
Comments: Leban, Ivan; Rudan-Tasic, Darja; Lah, Nina; Klofutar, Cveto Structures of artificial sweeteners ‒ cyclamic acid and sodium cyclamate with other cyclamates Acta Crystallographica Section B 63(3) (2007) 418-425
Space group: C 1 2/c 1
Cell volume: 1901.2
Cell parameters: 33.6671; 6.4571; 8.7572; 90; 92.961; 90;  

COD ID: 2102823
CIF file

Original IUCr paper

Formula: - C6 H12 N O3 Rb S -
Comments: Leban, Ivan; Rudan-Tasic, Darja; Lah, Nina; Klofutar, Cveto Structures of artificial sweeteners ‒ cyclamic acid and sodium cyclamate with other cyclamates Acta Crystallographica Section B 63(3) (2007) 418-425
Space group: C 1 2/c 1
Cell volume: 1932.7
Cell parameters: 34.039; 6.451; 8.811; 90; 92.67; 90;  

COD ID: 2102824
CIF file

Original IUCr paper

Formula: - C18 H40 N2 O3 S -
Comments: Leban, Ivan; Rudan-Tasic, Darja; Lah, Nina; Klofutar, Cveto Structures of artificial sweeteners ‒ cyclamic acid and sodium cyclamate with other cyclamates Acta Crystallographica Section B 63(3) (2007) 418-425
Space group: P 1 21/n 1
Cell volume: 2134
Cell parameters: 10.951; 13.5112; 14.6202; 90; 99.425; 90;  

COD ID: 2102825
CIF file

Original IUCr paper

Formula: - C14 H10 Br N3 -
Comments: Ojala, William H.; Smieja, Jonathan M.; Spude, Jill M.; Arola, Trina M.; Kuspa, Marika K.; Herrera, Nell; Ojala, Charles R. Isostructuralism among `bridge-flipped' isomeric benzylideneanilines and phenylhydrazones Acta Crystallographica Section B 63(3) (2007) 485-496
Space group: C 1 c 1
Cell volume: 1263.9
Cell parameters: 4.2021; 21.0409; 14.3803; 90; 96.248; 90;  

COD ID: 2102826
CIF file

Original IUCr paper

Formula: - C14 H10 Br N3 -
Comments: Ojala, William H.; Smieja, Jonathan M.; Spude, Jill M.; Arola, Trina M.; Kuspa, Marika K.; Herrera, Nell; Ojala, Charles R. Isostructuralism among `bridge-flipped' isomeric benzylideneanilines and phenylhydrazones Acta Crystallographica Section B 63(3) (2007) 485-496
Space group: C 1 c 1
Cell volume: 1280.2
Cell parameters: 4.4902; 19.9376; 14.3182; 90; 92.884; 90;  

COD ID: 2102827
CIF file

Original IUCr paper

Formula: - C15 H12 F3 N -
Comments: Ojala, William H.; Smieja, Jonathan M.; Spude, Jill M.; Arola, Trina M.; Kuspa, Marika K.; Herrera, Nell; Ojala, Charles R. Isostructuralism among `bridge-flipped' isomeric benzylideneanilines and phenylhydrazones Acta Crystallographica Section B 63(3) (2007) 485-496
Space group: P 1 21/c 1
Cell volume: 1253.27
Cell parameters: 9.6046; 7.7953; 17.2756; 90; 104.316; 90;  

COD ID: 2102828
CIF file

Original IUCr paper

Formula: - C15 H12 F3 N -
Comments: Ojala, William H.; Smieja, Jonathan M.; Spude, Jill M.; Arola, Trina M.; Kuspa, Marika K.; Herrera, Nell; Ojala, Charles R. Isostructuralism among `bridge-flipped' isomeric benzylideneanilines and phenylhydrazones Acta Crystallographica Section B 63(3) (2007) 485-496
Space group: P 1 21/c 1
Cell volume: 1253.3
Cell parameters: 9.7556; 7.8003; 16.8794; 90; 102.647; 90;  

COD ID: 2102829
CIF file

Original IUCr paper

Formula: - C14 H12 Br N -
Comments: Ojala, William H.; Smieja, Jonathan M.; Spude, Jill M.; Arola, Trina M.; Kuspa, Marika K.; Herrera, Nell; Ojala, Charles R. Isostructuralism among `bridge-flipped' isomeric benzylideneanilines and phenylhydrazones Acta Crystallographica Section B 63(3) (2007) 485-496
Space group: P b c n
Cell volume: 2361.4
Cell parameters: 13.4669; 11.7471; 14.9271; 90; 90; 90;  

COD ID: 2102830
CIF file

Original IUCr paper

Formula: - C14 H12 Br N -
Comments: Ojala, William H.; Smieja, Jonathan M.; Spude, Jill M.; Arola, Trina M.; Kuspa, Marika K.; Herrera, Nell; Ojala, Charles R. Isostructuralism among `bridge-flipped' isomeric benzylideneanilines and phenylhydrazones Acta Crystallographica Section B 63(3) (2007) 485-496
Space group: P b c n
Cell volume: 2329.8
Cell parameters: 13.355; 11.6667; 14.9529; 90; 90; 90;  

COD ID: 2102831
CIF file

Original IUCr paper

Formula: - C15 H12 N2 -
Comments: Ojala, William H.; Smieja, Jonathan M.; Spude, Jill M.; Arola, Trina M.; Kuspa, Marika K.; Herrera, Nell; Ojala, Charles R. Isostructuralism among `bridge-flipped' isomeric benzylideneanilines and phenylhydrazones Acta Crystallographica Section B 63(3) (2007) 485-496
Space group: P 1 21/n 1
Cell volume: 1162.1
Cell parameters: 6.1535; 7.199; 26.253; 90; 92.285; 90;  

COD ID: 2102832
CIF file

Original IUCr paper

Formula: - C15 H12 N2 -
Comments: Ojala, William H.; Smieja, Jonathan M.; Spude, Jill M.; Arola, Trina M.; Kuspa, Marika K.; Herrera, Nell; Ojala, Charles R. Isostructuralism among `bridge-flipped' isomeric benzylideneanilines and phenylhydrazones Acta Crystallographica Section B 63(3) (2007) 485-496
Space group: P 1 21/n 1
Cell volume: 1178.4
Cell parameters: 6.1878; 7.3785; 25.895; 90; 94.635; 90;  

COD ID: 2102833
CIF file

Original IUCr paper

Formula: - C56 H62 Cu N4 O14 S2 -
Comments: Dorokhov, Andrey V.; Chernyshov, Dmitrii Yu.; Burlov, Anatolii S.; Garnovskii, Alexandr D.; Ivanova, Irina S.; Pyatova, Elena N.; Tsivadze, Aslan Yu.; Aslanov, Leonid A.; Chernyshev, Vladimir V. Synchrotron powder diffraction in a systematic study of 4'-[2-(tosylamino)benzylideneamino]-2,3-benzo-15-crown-5 complexes Acta Crystallographica Section B 63(3) (2007) 402-410
Space group: P 1 21/c 1
Cell volume: 5287.7
Cell parameters: 19.0356; 17.4332; 17.418; 90; 113.824; 90;  

COD ID: 2102834
CIF file

Original IUCr paper

Formula: - C29 H32 Li N3 O7 S2 -
Comments: Dorokhov, Andrey V.; Chernyshov, Dmitrii Yu.; Burlov, Anatolii S.; Garnovskii, Alexandr D.; Ivanova, Irina S.; Pyatova, Elena N.; Tsivadze, Aslan Yu.; Aslanov, Leonid A.; Chernyshev, Vladimir V. Synchrotron powder diffraction in a systematic study of 4'-[2-(tosylamino)benzylideneamino]-2,3-benzo-15-crown-5 complexes Acta Crystallographica Section B 63(3) (2007) 402-410
Space group: P 1 21/c 1
Cell volume: 3106.11
Cell parameters: 9.2918; 23.0117; 15.2798; 90; 108.063; 90;  

COD ID: 2102835
CIF file

Original IUCr paper

Formula: - C5 H10 N5 O5 P -
Comments: Bendeif, El-Eulmi; Dahaoui, Slimane; Benali-Cherif, Nourredine; Lecomte, Claude Tautomerism and hydrogen bonding in guaninium phosphite and guaninium phosphate salts Acta Crystallographica Section B 63(3) (2007) 448-458
Space group: P 1 21/c 1
Cell volume: 952.96
Cell parameters: 4.97; 12.7506; 15.0499; 90; 92.293; 90;  

COD ID: 2102836
CIF file

Original IUCr paper

Formula: - C5 H12 N5 O6 P -
Comments: Bendeif, El-Eulmi; Dahaoui, Slimane; Benali-Cherif, Nourredine; Lecomte, Claude Tautomerism and hydrogen bonding in guaninium phosphite and guaninium phosphate salts Acta Crystallographica Section B 63(3) (2007) 448-458
Space group: P 1 21/c 1
Cell volume: 1056.35
Cell parameters: 4.6812; 24.0561; 9.5186; 90; 99.773; 90;  

COD ID: 2102837
CIF file

Original IUCr paper

Formula: - C5 H10 N5 O6 P -
Comments: Bendeif, El-Eulmi; Dahaoui, Slimane; Benali-Cherif, Nourredine; Lecomte, Claude Tautomerism and hydrogen bonding in guaninium phosphite and guaninium phosphate salts Acta Crystallographica Section B 63(3) (2007) 448-458
Space group: P 1 21/n 1
Cell volume: 1034.48
Cell parameters: 4.5414; 12.5774; 18.1485; 90; 93.689; 90;  

COD ID: 2102838
CIF file

Original IUCr paper

Formula: - B3 H Li Na O8 Si -
Comments: Whitfield, Pamela S.; Le Page, Yvon; Grice, Joel D.; Stanley, Chris J.; Jones, Gary C.; Rumsey, Michael S.; Blake, Chris; Roberts, Andrew C.; Stirling, John A. R.; Carpenter, Gordon J. C. LiNaSiB~3~O~7~(OH) – novel structure of the new borosilicate mineral jadarite determined from laboratory powder diffraction data Acta Crystallographica Section B 63(3) (2007) 396-401
Space group: P 1 21/c 1
Cell volume: 594.19
Cell parameters: 6.762; 13.8016; 7.6878; 90; 124.089; 90;  

COD ID: 2102839
CIF file

Original IUCr paper

Formula: - Ce0.5 O2 Zr0.5 -
Comments: Wakita, Takahiro; Yashima, Masatomo <i>In situ</i> observation of the tetragonal‒cubic phase transition in the CeZrO~4~ solid solution ‒ a high-temperature neutron diffraction study Acta Crystallographica Section B 63(3) (2007) 384-389
Space group: P 42/n m c :1
Cell volume: 73.387
Cell parameters: 3.7191; 3.7191; 5.3057; 90; 90; 90;  

COD ID: 2102840
CIF file

Original IUCr paper

Formula: - Ce0.5 O2 Zr0.5 -
Comments: Wakita, Takahiro; Yashima, Masatomo <i>In situ</i> observation of the tetragonal‒cubic phase transition in the CeZrO~4~ solid solution ‒ a high-temperature neutron diffraction study Acta Crystallographica Section B 63(3) (2007) 384-389
Space group: P 42/n m c :1
Cell volume: 73.982
Cell parameters: 3.7286; 3.7286; 5.3215; 90; 90; 90;  

COD ID: 2102841
CIF file

Original IUCr paper

Formula: - Ce0.5 O2 Zr0.5 -
Comments: Wakita, Takahiro; Yashima, Masatomo <i>In situ</i> observation of the tetragonal‒cubic phase transition in the CeZrO~4~ solid solution ‒ a high-temperature neutron diffraction study Acta Crystallographica Section B 63(3) (2007) 384-389
Space group: P 42/n m c :1
Cell volume: 74.611
Cell parameters: 3.7386; 3.7386; 5.3381; 90; 90; 90;  

COD ID: 2102842
CIF file

Original IUCr paper

Formula: - Ce0.5 O2 Zr0.5 -
Comments: Wakita, Takahiro; Yashima, Masatomo <i>In situ</i> observation of the tetragonal‒cubic phase transition in the CeZrO~4~ solid solution ‒ a high-temperature neutron diffraction study Acta Crystallographica Section B 63(3) (2007) 384-389
Space group: P 42/n m c :1
Cell volume: 75.336
Cell parameters: 3.7503; 3.7503; 5.3564; 90; 90; 90;  

COD ID: 2102843
CIF file

Original IUCr paper

Formula: - Ce0.5 O2 Zr0.5 -
Comments: Wakita, Takahiro; Yashima, Masatomo <i>In situ</i> observation of the tetragonal‒cubic phase transition in the CeZrO~4~ solid solution ‒ a high-temperature neutron diffraction study Acta Crystallographica Section B 63(3) (2007) 384-389
Space group: P 42/n m c :1
Cell volume: 76.144
Cell parameters: 3.764; 3.764; 5.3745; 90; 90; 90;  

COD ID: 2102844
CIF file

Original IUCr paper

Formula: - Ce0.5 O2 Zr0.5 -
Comments: Wakita, Takahiro; Yashima, Masatomo <i>In situ</i> observation of the tetragonal‒cubic phase transition in the CeZrO~4~ solid solution ‒ a high-temperature neutron diffraction study Acta Crystallographica Section B 63(3) (2007) 384-389
Space group: P 42/n m c :1
Cell volume: 76.841
Cell parameters: 3.7781; 3.7781; 5.3833; 90; 90; 90;  

COD ID: 2102845
CIF file

Original IUCr paper

Formula: - Ce0.5 O2 Zr0.5 -
Comments: Wakita, Takahiro; Yashima, Masatomo <i>In situ</i> observation of the tetragonal‒cubic phase transition in the CeZrO~4~ solid solution ‒ a high-temperature neutron diffraction study Acta Crystallographica Section B 63(3) (2007) 384-389
Space group: F m -3 m
Cell volume: 156.14
Cell parameters: 5.3848; 5.3848; 5.3848; 90; 90; 90;  

COD ID: 2102846
CIF file

HKL data

Original IUCr paper

Formula: - C5 H13 Cl N2 O2 -
Comments: Dittrich, B.; Munshi, P.; Spackman, M. A. Redetermination, invariom-model and multipole refinement of <small>L</small>-ornithine hydrochloride Acta Crystallographica Section B 63(3) (2007) 505-509
Space group: P 1 21 1
Cell volume: 391.902
Cell parameters: 9.948; 7.9637; 4.9826; 90; 83.13; 90;  

COD ID: 2102847
CIF file

Original IUCr paper

Formula: - Bi1.6 Ge1.6 Te4 -
Comments: Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kifune, Kouichi; Kubota, Yoshiki; Takata, Masaki Crystal structures of stable and metastable Ge~2~Bi~2~Te~5~, an intermetallic compound in a GeTe-Bi~2~Te~3~ pseudobinary system Acta Crystallographica, Section B 63(2) (2007) 346-352
Space group: F m -3 m
Cell volume: 226.22
Cell parameters: 6.0932; 6.0932; 6.0932; 90; 90; 90;  

COD ID: 2102848
CIF file

Original IUCr paper

Formula: - Bi1.6 Ge1.6 Te4 -
Comments: Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kifune, Kouichi; Kubota, Yoshiki; Takata, Masaki Crystal structures of stable and metastable Ge~2~Bi~2~Te~5~, an intermetallic compound in a GeTe-Bi~2~Te~3~ pseudobinary system Acta Crystallographica, Section B 63(2) (2007) 346-352
Space group: F m -3 m
Cell volume: 228.2
Cell parameters: 6.1109; 6.1109; 6.1109; 90; 90; 90;  

COD ID: 2102849
CIF file

Original IUCr paper

Formula: - Bi2 Ge2 Te5 -
Comments: Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kifune, Kouichi; Kubota, Yoshiki; Takata, Masaki Crystal structures of stable and metastable Ge~2~Bi~2~Te~5~, an intermetallic compound in a GeTe-Bi~2~Te~3~ pseudobinary system Acta Crystallographica, Section B 63(2) (2007) 346-352
Space group: P -3 m 1
Cell volume: 273.99
Cell parameters: 4.28072; 4.28072; 17.2651; 90; 90; 120;  

COD ID: 2102850
CIF file

Original IUCr paper

Formula: - Bi2 Ge2 Te5 -
Comments: Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kifune, Kouichi; Kubota, Yoshiki; Takata, Masaki Crystal structures of stable and metastable Ge~2~Bi~2~Te~5~, an intermetallic compound in a GeTe-Bi~2~Te~3~ pseudobinary system Acta Crystallographica, Section B 63(2) (2007) 346-352
Space group: P -3 m 1
Cell volume: 278.13
Cell parameters: 4.3004; 4.3004; 17.3659; 90; 90; 120;  

COD ID: 2102851
CIF file

Original IUCr paper

Formula: - C20 H22 O4 -
Comments: Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol Acta Crystallographica Section B 63(3) (2007) 433-447
Space group: C 1 2 1
Cell volume: 1653
Cell parameters: 23.2312; 4.975; 15.484; 90; 112.53; 90;  

COD ID: 2102852
CIF file

Original IUCr paper

Formula: - C6 H12 O2 -
Comments: Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol Acta Crystallographica Section B 63(3) (2007) 433-447
Space group: P b c a
Cell volume: 1278.4
Cell parameters: 8.545; 7.588; 19.717; 90; 90; 90;  

COD ID: 2102853
CIF file

Original IUCr paper

Formula: - C10 H12 O2 -
Comments: Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol Acta Crystallographica Section B 63(3) (2007) 433-447
Space group: P 1 21 1
Cell volume: 822.03
Cell parameters: 5.8751; 27.9972; 5.0132; 90; 94.528; 90;  

COD ID: 2102854
CIF file

HKL data

Original IUCr paper

Formula: - C10 H12 O2 -
Comments: Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol Acta Crystallographica Section B 63(3) (2007) 433-447
Space group: P 1 21 1
Cell volume: 823.5
Cell parameters: 5.877; 28.029; 5.015; 90; 94.51; 90;  

COD ID: 2102855
CIF file

HKL data

Original IUCr paper

Formula: - C10 H12 O2 -
Comments: Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol Acta Crystallographica Section B 63(3) (2007) 433-447
Space group: P 1 21 1
Cell volume: 829.6
Cell parameters: 5.886; 28.108; 5.029; 90; 94.35; 90;  

COD ID: 2102856
CIF file

HKL data

Original IUCr paper

Formula: - C6 H12 O2 -
Comments: Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol Acta Crystallographica Section B 63(3) (2007) 433-447
Space group: P b c a
Cell volume: 1305.6
Cell parameters: 8.617; 7.693; 19.695; 90; 90; 90;  

COD ID: 2102857
CIF file

Original IUCr paper

Formula: - C6 H12 O2 -
Comments: Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol Acta Crystallographica Section B 63(3) (2007) 433-447
Space group: P b c a
Cell volume: 1266.3
Cell parameters: 8.415; 7.799; 19.295; 90; 90; 90;  

COD ID: 2102858
CIF file

HKL data

Original IUCr paper

Formula: - C6 H12 O2 -
Comments: Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol Acta Crystallographica Section B 63(3) (2007) 433-447
Space group: P b c a
Cell volume: 1295.6
Cell parameters: 8.491; 7.893; 19.331; 90; 90; 90;  

COD ID: 2102859
CIF file

Original IUCr paper

Formula: - C6 H12 O2 -
Comments: Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol Acta Crystallographica Section B 63(3) (2007) 433-447
Space group: C 1 2/c 1
Cell volume: 1315.7
Cell parameters: 18.321; 10.015; 7.201; 90; 95.28; 90;  

COD ID: 2102860
CIF file

HKL data

Original IUCr paper

Formula: - C6 H12 O2 -
Comments: Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol Acta Crystallographica Section B 63(3) (2007) 433-447
Space group: C 1 2/c 1
Cell volume: 1343.7
Cell parameters: 18.578; 10.007; 7.272; 90; 96.32; 90;  

COD ID: 2102861
CIF file

Original IUCr paper

Formula: - C6 H12 O2 -
Comments: Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol Acta Crystallographica Section B 63(3) (2007) 433-447
Space group: P 32 2 1
Cell volume: 969.49
Cell parameters: 10.183; 10.183; 10.796; 90; 90; 120;  

COD ID: 2102862
CIF file

Original IUCr paper

Formula: - C6 H12 O2 -
Comments: Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol Acta Crystallographica Section B 63(3) (2007) 433-447
Space group: P 32 2 1
Cell volume: 988.51
Cell parameters: 10.229; 10.229; 10.909; 90; 90; 120;  

COD ID: 2102863
CIF file

Original IUCr paper

Formula: - K1.56 Mg0.78 O16 Ti7.22 -
Comments: Michiue, Yuichi Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb) Acta Crystallographica, Section B 63(4) (2007) 577-583
Space group: I 4/m
Cell volume: 306.58
Cell parameters: 10.1541; 10.1541; 2.9735; 90; 90; 90;  

COD ID: 2102864
CIF file

Original IUCr paper

Formula: - K1.55 Mg0.77 O16 Ti7.23 -
Comments: Michiue, Yuichi Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb) Acta Crystallographica, Section B 63(4) (2007) 577-583
Space group: I 4/m
Cell volume: 306.58
Cell parameters: 10.1541; 10.1541; 2.9735; 90; 90; 90;  

COD ID: 2102865
CIF file

Original IUCr paper

Formula: - K1.53 Mg0.77 O16 Ti7.23 -
Comments: Michiue, Yuichi Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb) Acta Crystallographica, Section B 63(4) (2007) 577-583
Space group: I 4/m
Cell volume: 306.58
Cell parameters: 10.1541; 10.1541; 2.9735; 90; 90; 90;  

COD ID: 2102866
CIF file

Original IUCr paper

Formula: - K1.54 Mg0.77 O16 Ti7.23 -
Comments: Michiue, Yuichi Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb) Acta Crystallographica, Section B 63(4) (2007) 577-583
Space group: I 4/m
Cell volume: 306.58
Cell parameters: 10.1541; 10.1541; 2.9735; 90; 90; 90;  

COD ID: 2102867
CIF file

Original IUCr paper

Formula: - Mg0.75 O16 Rb1.51 Ti7.25 -
Comments: Michiue, Yuichi Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb) Acta Crystallographica, Section B 63(4) (2007) 577-583
Space group: I 4/m
Cell volume: 309.49
Cell parameters: 10.2052; 10.2052; 2.9717; 90; 90; 90;  

COD ID: 2102868
CIF file

Original IUCr paper

Formula: - Mg0.75 O16 Rb1.51 Ti7.25 -
Comments: Michiue, Yuichi Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb) Acta Crystallographica, Section B 63(4) (2007) 577-583
Space group: I 4/m
Cell volume: 309.49
Cell parameters: 10.2052; 10.2052; 2.9717; 90; 90; 90;  

COD ID: 2102869
CIF file

Original IUCr paper

Formula: - Mg0.75 O16 Rb1.5 Ti7.25 -
Comments: Michiue, Yuichi Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb) Acta Crystallographica, Section B 63(4) (2007) 577-583
Space group: I 4/m
Cell volume: 309.49
Cell parameters: 10.2052; 10.2052; 2.9717; 90; 90; 90;  

COD ID: 2102870
CIF file

Original IUCr paper

Formula: - Mg0.75 O16 Rb1.5 Ti7.25 -
Comments: Michiue, Yuichi Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb) Acta Crystallographica, Section B 63(4) (2007) 577-583
Space group: I 4/m
Cell volume: 309.49
Cell parameters: 10.2052; 10.2052; 2.9717; 90; 90; 90;  

COD ID: 2102871
CIF file

Original IUCr paper

Formula: - Mg0.76 O16 Rb1.51 Ti7.24 -
Comments: Michiue, Yuichi Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb) Acta Crystallographica, Section B 63(4) (2007) 577-583
Space group: I 4/m
Cell volume: 309.49
Cell parameters: 10.2052; 10.2052; 2.9717; 90; 90; 90;  

COD ID: 2102872
CIF file

Original IUCr paper

Formula: - Ba4 O9 Sb2 -
Comments: Ling, Chris D.; Avdeev, Maxim; Aivazian, Karina Synthesis, structure, and stability of the high-temperature 6H-type perovskite phase Ba~3~BaSb~2~O~9~ Acta Crystallographica Section B 63(4) (2007) 584-588
Space group: P 63/m m c
Cell volume: 529.089
Cell parameters: 6.18123; 6.18123; 15.99; 90; 90; 120;  

COD ID: 2102873
CIF file

Original IUCr paper

Formula: - C43 H59 O13.5 -
Comments: Shao-Liang Zheng; Marc Messerschmidt; Philip Coppens Single-Crystal-to-Single-Crystal E->Z Isomerization of Tiglic acid in a Supramolecular Framework Acta Crystallographica, Section B 63(4) (2007) 650-655
Space group: P -1
Cell volume: 2092.9
Cell parameters: 11.3467; 14.1629; 14.81; 108.886; 109.437; 92.483;  

COD ID: 2102874
CIF file

Original IUCr paper

Formula: - C43 H59 O13.5 -
Comments: Shao-Liang Zheng; Marc Messerschmidt; Philip Coppens Single-Crystal-to-Single-Crystal E->Z Isomerization of Tiglic acid in a Supramolecular Framework Acta Crystallographica, Section B 63(4) (2007) 650-655
Space group: P -1
Cell volume: 2067.74
Cell parameters: 11.2958; 14.0716; 14.72; 108.756; 108.628; 93.0151;  

COD ID: 2102875
CIF file

Original IUCr paper

Formula: - C43 H59 O13.5 -
Comments: Shao-Liang Zheng; Marc Messerschmidt; Philip Coppens Single-Crystal-to-Single-Crystal E->Z Isomerization of Tiglic acid in a Supramolecular Framework Acta Crystallographica, Section B 63(4) (2007) 650-655
Space group: P -1
Cell volume: 2074.74
Cell parameters: 11.2954; 14.0883; 14.7549; 108.638; 108.809; 92.9259;  

COD ID: 2102876
CIF file

Original IUCr paper

Formula: - C43 H59 O13.5 -
Comments: Shao-Liang Zheng; Marc Messerschmidt; Philip Coppens Single-Crystal-to-Single-Crystal E->Z Isomerization of Tiglic acid in a Supramolecular Framework Acta Crystallographica, Section B 63(4) (2007) 650-655
Space group: P -1
Cell volume: 2082.65
Cell parameters: 11.2902; 14.1299; 14.7991; 108.584; 109.266; 92.56;  

COD ID: 2102877
CIF file

Original IUCr paper

Formula: - C43 H59 O13.5 -
Comments: Shao-Liang Zheng; Marc Messerschmidt; Philip Coppens Single-Crystal-to-Single-Crystal E->Z Isomerization of Tiglic acid in a Supramolecular Framework Acta Crystallographica, Section B 63(4) (2007) 650-655
Space group: P -1
Cell volume: 2085.7
Cell parameters: 11.2988; 14.1506; 14.8012; 108.561; 109.475; 92.4244;  

COD ID: 2102878
CIF file

Original IUCr paper

Formula: - C43 H59 O13.5 -
Comments: Shao-Liang Zheng; Marc Messerschmidt; Philip Coppens Single-Crystal-to-Single-Crystal E->Z Isomerization of Tiglic acid in a Supramolecular Framework Acta Crystallographica, Section B 63(4) (2007) 650-655
Space group: P -1
Cell volume: 2091.2
Cell parameters: 11.3096; 14.1748; 14.8116; 108.57; 109.632; 92.276;  

COD ID: 2102879
CIF file

Original IUCr paper

Formula: - C12 H12 Cl2 N2 Pt -
Comments: Maheshwari, Vidhi; Carlone, Maria; Fronczek, Frank R.; Marzilli, Luigi G. Ligand and coordination-plane distortions in platinum(II) complexes of isomers of dimethyl-2,2'-bipyridine Acta Crystallographica Section B 63(4) (2007) 603-611
Space group: P 1 21/n 1
Cell volume: 1258.5
Cell parameters: 6.7739; 10.755; 17.312; 90; 93.8; 90;  

COD ID: 2102880
CIF file

Original IUCr paper

Formula: - C12 H12 Cl2 N2 Pt -
Comments: Maheshwari, Vidhi; Carlone, Maria; Fronczek, Frank R.; Marzilli, Luigi G. Ligand and coordination-plane distortions in platinum(II) complexes of isomers of dimethyl-2,2'-bipyridine Acta Crystallographica Section B 63(4) (2007) 603-611
Space group: C 1 2/c 1
Cell volume: 1241.8
Cell parameters: 13.162; 9.088; 12.125; 90; 121.11; 90;  

COD ID: 2102881
CIF file

Original IUCr paper

Formula: - C14 H15 Cl2 N3 Pt -
Comments: Maheshwari, Vidhi; Carlone, Maria; Fronczek, Frank R.; Marzilli, Luigi G. Ligand and coordination-plane distortions in platinum(II) complexes of isomers of dimethyl-2,2'-bipyridine Acta Crystallographica Section B 63(4) (2007) 603-611
Space group: P -1
Cell volume: 771.78
Cell parameters: 8.1049; 8.7028; 12.005; 73.863; 73.919; 77.132;  

COD ID: 2102882
CIF file

Original IUCr paper

Formula: - C36 H36 B2 F8 N6 Pt -
Comments: Maheshwari, Vidhi; Carlone, Maria; Fronczek, Frank R.; Marzilli, Luigi G. Ligand and coordination-plane distortions in platinum(II) complexes of isomers of dimethyl-2,2'-bipyridine Acta Crystallographica Section B 63(4) (2007) 603-611
Space group: P -1
Cell volume: 872.1
Cell parameters: 7.3395; 10.58; 12.093; 70.602; 87.384; 79.978;  

COD ID: 2102883
CIF file

HKL data

Original IUCr paper

Formula: - C12 H9 Br2 N O2 S -
Comments: Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L. Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures Acta Crystallographica Section B 63(4) (2007) 621-632
Space group: R -3 :H
Cell volume: 5984.2
Cell parameters: 27.3197; 27.3197; 9.2582; 90; 90; 120;  

COD ID: 2102884
CIF file

HKL data

Original IUCr paper

Formula: - C13 H9 Br F3 N O2 S -
Comments: Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L. Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures Acta Crystallographica Section B 63(4) (2007) 621-632
Space group: R -3 :H
Cell volume: 6486.5
Cell parameters: 28.022; 28.022; 9.5386; 90; 90; 120;  

COD ID: 2102885
CIF file

HKL data

Original IUCr paper

Formula: - C12 H9 Br I N O2 S -
Comments: Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L. Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures Acta Crystallographica Section B 63(4) (2007) 621-632
Space group: R -3 :H
Cell volume: 6185.8
Cell parameters: 28.134; 28.134; 9.024; 90; 90; 120;  

COD ID: 2102886
CIF file

HKL data

Original IUCr paper

Formula: - C12 H9 Br Cl N O2 S -
Comments: Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L. Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures Acta Crystallographica Section B 63(4) (2007) 621-632
Space group: R -3 :H
Cell volume: 5799.5
Cell parameters: 27.045; 27.045; 9.1556; 90; 90; 120;  

COD ID: 2102887
CIF file

HKL data

Original IUCr paper

Formula: - C14 H10 Cl N O2 S -
Comments: Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L. Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures Acta Crystallographica Section B 63(4) (2007) 621-632
Space group: R -3 :H
Cell volume: 5990.6
Cell parameters: 27.3848; 27.3848; 9.2241; 90; 90; 120;  

COD ID: 2102888
CIF file

HKL data

Original IUCr paper

Formula: - C13 H9 Cl F3 N O2 S -
Comments: Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L. Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures Acta Crystallographica Section B 63(4) (2007) 621-632
Space group: R -3 :H
Cell volume: 6332.7
Cell parameters: 27.805; 27.805; 9.4583; 90; 90; 120;  

COD ID: 2102889
CIF file

HKL data

Original IUCr paper

Formula: - C12 H9 Cl1.8 F0.2 N O2 S -
Comments: Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L. Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures Acta Crystallographica Section B 63(4) (2007) 621-632
Space group: R -3 :H
Cell volume: 5674.9
Cell parameters: 26.4119; 26.4119; 9.3936; 90; 90; 120;  

COD ID: 2102890
CIF file

HKL data

Original IUCr paper

Formula: - C12 H9 Cl I N O2 S -
Comments: Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L. Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures Acta Crystallographica Section B 63(4) (2007) 621-632
Space group: R -3 :H
Cell volume: 6032.6
Cell parameters: 27.812; 27.812; 9.0055; 90; 90; 120;  

COD ID: 2102891
CIF file

HKL data

Original IUCr paper

Formula: - C13 H9 Br N2 O2 S -
Comments: Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L. Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures Acta Crystallographica Section B 63(4) (2007) 621-632
Space group: R -3 :H
Cell volume: 6019.5
Cell parameters: 27.0722; 27.0722; 9.4838; 90; 90; 120;  

COD ID: 2102892
CIF file

HKL data

Original IUCr paper

Formula: - C14 H9 F3 N2 O2 S -
Comments: Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L. Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures Acta Crystallographica Section B 63(4) (2007) 621-632
Space group: R -3 :H
Cell volume: 6235.3
Cell parameters: 27.6017; 27.6017; 9.4505; 90; 90; 120;  

COD ID: 2102893
CIF file

HKL data

Original IUCr paper

Formula: - C13 H9 Cl N2 O2 S -
Comments: Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L. Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures Acta Crystallographica Section B 63(4) (2007) 621-632
Space group: R -3 :H
Cell volume: 5942
Cell parameters: 26.8055; 26.8055; 9.5489; 90; 90; 120;  

COD ID: 2102894
CIF file

HKL data

Original IUCr paper

Formula: - C13 H9 I N2 O2 S -
Comments: Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L. Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures Acta Crystallographica Section B 63(4) (2007) 621-632
Space group: R -3 :H
Cell volume: 6148.6
Cell parameters: 27.4867; 27.4867; 9.3972; 90; 90; 120;  

COD ID: 2102895
CIF file

HKL data

Original IUCr paper

Formula: - C14 H12 N2 O2 S -
Comments: Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L. Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures Acta Crystallographica Section B 63(4) (2007) 621-632
Space group: R -3 :H
Cell volume: 6050.9
Cell parameters: 26.9964; 26.9964; 9.5869; 90; 90; 120;  

COD ID: 2102896
CIF file

HKL data

Original IUCr paper

Formula: - C12 H9 Br F N O2 S -
Comments: Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L. Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures Acta Crystallographica Section B 63(4) (2007) 621-632
Space group: R -3 :H
Cell volume: 5610.1
Cell parameters: 26.5333; 26.5333; 9.2014; 90; 90; 120;  

COD ID: 2102897
CIF file

HKL data

Original IUCr paper

Formula: - C13 H9 F4 N O2 S -
Comments: Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L. Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures Acta Crystallographica Section B 63(4) (2007) 621-632
Space group: R -3 :H
Cell volume: 6197.1
Cell parameters: 27.4403; 27.4403; 9.5034; 90; 90; 120;  

COD ID: 2102898
CIF file

HKL data

Original IUCr paper

Formula: - C12 H9 Cl F N O2 S -
Comments: Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L. Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures Acta Crystallographica Section B 63(4) (2007) 621-632
Space group: R -3 :H
Cell volume: 5443.8
Cell parameters: 25.9241; 25.9241; 9.3533; 90; 90; 120;  

COD ID: 2102899
CIF file

HKL data

Original IUCr paper

Formula: - C12 H9 F2 N O2 S -
Comments: Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L. Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures Acta Crystallographica Section B 63(4) (2007) 621-632
Space group: R -3 :H
Cell volume: 5182.3
Cell parameters: 24.9922; 24.9922; 9.5804; 90; 90; 120;  

COD ID: 2102900
CIF file

HKL data

Original IUCr paper

Formula: - C12 H9 F I N O2 S -
Comments: Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L. Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures Acta Crystallographica Section B 63(4) (2007) 621-632
Space group: R -3 :H
Cell volume: 5900.5
Cell parameters: 27.3131; 27.3131; 9.1331; 90; 90; 120;  

COD ID: 2102901
CIF file

HKL data

Original IUCr paper

Formula: - C13 H12 Br N O2 S -
Comments: Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L. Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures Acta Crystallographica Section B 63(4) (2007) 621-632
Space group: R -3 :H
Cell volume: 6051.1
Cell parameters: 27.1912; 27.1912; 9.4503; 90; 90; 120;  

COD ID: 2102902
CIF file

HKL data

Original IUCr paper

Formula: - C14 H12 F3 N O2 S -
Comments: Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L. Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures Acta Crystallographica Section B 63(4) (2007) 621-632
Space group: R -3 :H
Cell volume: 6530.2
Cell parameters: 27.7243; 27.7243; 9.8101; 90; 90; 120;  

COD ID: 2102903
CIF file

HKL data

Original IUCr paper

Formula: - C13 H12 Cl N O2 S -
Comments: Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L. Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures Acta Crystallographica Section B 63(4) (2007) 621-632
Space group: R -3 :H
Cell volume: 5901.5
Cell parameters: 26.7454; 26.7454; 9.5265; 90; 90; 120;  

COD ID: 2102904
CIF file

HKL data

Original IUCr paper

Formula: - C13 H12 I N O2 S -
Comments: Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L. Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures Acta Crystallographica Section B 63(4) (2007) 621-632
Space group: R -3 :H
Cell volume: 6242.2
Cell parameters: 27.7443; 27.7443; 9.3639; 90; 90; 120;  

COD ID: 2102905
CIF file

HKL data

Original IUCr paper

Formula: - C13 H12 I N O3 S -
Comments: Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L. Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures Acta Crystallographica Section B 63(4) (2007) 621-632
Space group: R -3 :H
Cell volume: 6425.6
Cell parameters: 27.3759; 27.3759; 9.9002; 90; 90; 120;  

COD ID: 2102906
CIF file

HKL data

Original IUCr paper

Formula: - C12 H9 Cl2 N O2 S -
Comments: Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L. Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures Acta Crystallographica Section B 63(4) (2007) 621-632
Space group: R -3 :H
Cell volume: 5701.6
Cell parameters: 26.5773; 26.5773; 9.3206; 90; 90; 120;  

COD ID: 2102907
CIF file

Original IUCr paper

Formula: - Ba7 Br Co6 O17 -
Comments: Kauffmann, Matthieu; Roussel, Pascal New oxybromide cobaltites with layered perovskite-related structures: 18<i>R</i>-Ba~6~Co~5~BrO~14~ and 14<i>H</i>-Ba~7~Co~6~BrO~17~ Acta Crystallographica Section B 63(4) (2007) 589-596
Space group: P 63/m m c
Cell volume: 931.64
Cell parameters: 5.6611; 5.6611; 33.5672; 90; 90; 120;  

COD ID: 2102908
CIF file

Original IUCr paper

Formula: - Ba6 Br Co5 O14 -
Comments: Kauffmann, Matthieu; Roussel, Pascal New oxybromide cobaltites with layered perovskite-related structures: 18<i>R</i>-Ba~6~Co~5~BrO~14~ and 14<i>H</i>-Ba~7~Co~6~BrO~17~ Acta Crystallographica Section B 63(4) (2007) 589-596
Space group: R -3 m :H
Cell volume: 1196.65
Cell parameters: 5.6578; 5.6578; 43.166; 90; 90; 120;  

COD ID: 2102909
CIF file

Original IUCr paper

Formula: - Bi Fe O3 -
Comments: Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study Acta Crystallographica Section B 63(4) (2007) 537-544
Space group: R 3 c :H
Cell volume: 373.827
Cell parameters: 5.57882; 5.57882; 13.86932; 90; 90; 120;  

COD ID: 2102910
CIF file

Original IUCr paper

Formula: - Bi Fe O3 -
Comments: Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study Acta Crystallographica Section B 63(4) (2007) 537-544
Space group: R 3 c :H
Cell volume: 376.035
Cell parameters: 5.58829; 5.58829; 13.904; 90; 90; 120;  

COD ID: 2102911
CIF file

Original IUCr paper

Formula: - Bi Fe O3 -
Comments: Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study Acta Crystallographica Section B 63(4) (2007) 537-544
Space group: R 3 c :H
Cell volume: 376.393
Cell parameters: 5.58986; 5.58986; 13.90943; 90; 90; 120;  

COD ID: 2102912
CIF file

Original IUCr paper

Formula: - Bi Fe O3 -
Comments: Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study Acta Crystallographica Section B 63(4) (2007) 537-544
Space group: R 3 c :H
Cell volume: 376.945
Cell parameters: 5.59227; 5.59227; 13.91782; 90; 90; 120;  

COD ID: 2102913
CIF file

Original IUCr paper

Formula: - Bi Fe O3 -
Comments: Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study Acta Crystallographica Section B 63(4) (2007) 537-544
Space group: R 3 c :H
Cell volume: 378.155
Cell parameters: 5.59771; 5.59771; 13.93538; 90; 90; 120;  

COD ID: 2102914
CIF file

Original IUCr paper

Formula: - Bi Fe O3 -
Comments: Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study Acta Crystallographica Section B 63(4) (2007) 537-544
Space group: R 3 c :H
Cell volume: 378.497
Cell parameters: 5.59922; 5.59922; 13.94046; 90; 90; 120;  

COD ID: 2102915
CIF file

Original IUCr paper

Formula: - Bi Fe O3 -
Comments: Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study Acta Crystallographica Section B 63(4) (2007) 537-544
Space group: R 3 c :H
Cell volume: 378.807
Cell parameters: 5.60065; 5.60065; 13.94476; 90; 90; 120;  

COD ID: 2102916
CIF file

Original IUCr paper

Formula: - Bi Fe O3 -
Comments: Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study Acta Crystallographica Section B 63(4) (2007) 537-544
Space group: R 3 c :H
Cell volume: 379.634
Cell parameters: 5.60456; 5.60456; 13.9557; 90; 90; 120;  

COD ID: 2102917
CIF file

Original IUCr paper

Formula: - Bi Fe O3 -
Comments: Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study Acta Crystallographica Section B 63(4) (2007) 537-544
Space group: R 3 c :H
Cell volume: 380.966
Cell parameters: 5.61135; 5.61135; 13.9708; 90; 90; 120;  

COD ID: 2102918
CIF file

Original IUCr paper

Formula: - Bi Fe O3 -
Comments: Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study Acta Crystallographica Section B 63(4) (2007) 537-544
Space group: R 3 c :H
Cell volume: 382.259
Cell parameters: 5.61853; 5.61853; 13.9824; 90; 90; 120;  

COD ID: 2102919
CIF file

HKL data

Original IUCr paper

Formula: - Ge Na O5 Ta -
Comments: Malcherek, Thomas A structural phase transition in NaTaOGeO~4~ and its relation to phase transitions in titanite Acta Crystallographica Section B 63(4) (2007) 545-550
Space group: P 1 21/c 1
Cell volume: 410.97
Cell parameters: 6.838; 8.93; 7.414; 90; 114.8; 90;  

COD ID: 2102920
CIF file

HKL data

Original IUCr paper

Formula: - Ge Na O5 Ta -
Comments: Malcherek, Thomas A structural phase transition in NaTaOGeO~4~ and its relation to phase transitions in titanite Acta Crystallographica Section B 63(4) (2007) 545-550
Space group: C 1 2/c 1
Cell volume: 412.1
Cell parameters: 6.854; 8.933; 7.418; 90; 114.858; 90;  

COD ID: 2102921
CIF file

Original IUCr paper

Formula: - B2 H8 Mg -
Comments: Jae-Hyuk Her; Peter W. Stephens; Yan Gao; Grigorii L. Soloveichik; Job Rijssenbeek; Matthew Andrus; Ji-Cheng Zhao Structure of unsolvated magnesium borohydride Mg(BH~4~)~2~ Acta Crystallographica Section B 63(4) (2007) 561-568
Space group: P 61
Cell volume: 3434.8
Cell parameters: 10.3414; 10.3414; 37.086; 90; 90; 120;  

COD ID: 2102922
CIF file

Original IUCr paper

Formula: - B2 H8 Mg -
Comments: Jae-Hyuk Her; Peter W. Stephens; Yan Gao; Grigorii L. Soloveichik; Job Rijssenbeek; Matthew Andrus; Ji-Cheng Zhao Structure of unsolvated magnesium borohydride Mg(BH~4~)~2~ Acta Crystallographica Section B 63(4) (2007) 561-568
Space group: F d d d :1
Cell volume: 7543.7
Cell parameters: 37.072; 18.6476; 10.9123; 90; 90; 90;  

COD ID: 2102923
CIF file

Original IUCr paper

Formula: - Ge6 La10 O27 -
Comments: Pramana, S.S; Klooster, W.T; White, T.J Framework `interstitial' oxygen in La~10~(GeO~4~)~5~(GeO~5~)O~2~ apatite electrolyte Acta Crystallographica Section B 63(4) (2007) 597-602
Space group: P -1
Cell volume: 616.78
Cell parameters: 9.9346; 9.9132; 7.3021; 90.96; 88.079; 120.89;  

COD ID: 2102924
CIF file

Original IUCr paper

Formula: - Al11 Co6 Si6 -
Comments: Richter, Klaus W.; Prots, Yurii; Borrmann, Horst; Ramlau, Reiner; Grin, Yuri Crystal structure and local order in Co~6~Al~11{-~<i>x</i>}Si~6+<i>x~</i> Acta Crystallographica Section B 63(4) (2007) 551-560
Space group: P n m a
Cell volume: 627.68
Cell parameters: 21.3536; 4.042; 7.2723; 90; 90; 90;  

COD ID: 2102925
CIF file

Original IUCr paper

Formula: - Al11 Co6 Si6 -
Comments: Richter, Klaus W.; Prots, Yurii; Borrmann, Horst; Ramlau, Reiner; Grin, Yuri Crystal structure and local order in Co~6~Al~11{-~<i>x</i>}Si~6+<i>x~</i> Acta Crystallographica Section B 63(4) (2007) 551-560
Space group: C m c 21
Cell volume: 2510.7
Cell parameters: 8.0839; 14.5445; 21.3536; 90; 90; 90;  

COD ID: 2102926
CIF file

Original IUCr paper

Formula: - Al11 Co6 Si6 -
Comments: Richter, Klaus W.; Prots, Yurii; Borrmann, Horst; Ramlau, Reiner; Grin, Yuri Crystal structure and local order in Co~6~Al~11{-~<i>x</i>}Si~6+<i>x~</i> Acta Crystallographica Section B 63(4) (2007) 551-560
Space group: P 1 21/c 1
Cell volume: 1255.28
Cell parameters: 8.0839; 21.3536; 8.32; 90; 119.07; 90;  

COD ID: 2102927
CIF file

Original IUCr paper

Formula: - C4 Br4 S -
Comments: Helmholdt, Robert B.; Sonneveld, Ed J.; Vande Velde, Christophe M. L.; Blockhuys, Frank; Lenstra, Albert T. H.; Geise, Herman J.; Peschar, René Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing Acta Crystallographica Section B 63(5) (2007) 783-790
Space group: P c a 21
Cell volume: 834.9
Cell parameters: 12.6516; 4.0373; 16.3456; 90; 90; 90;  

COD ID: 2102928
CIF file

Original IUCr paper

Formula: - C4 Br4 S -
Comments: Helmholdt, Robert B.; Sonneveld, Ed J.; Vande Velde, Christophe M. L.; Blockhuys, Frank; Lenstra, Albert T. H.; Geise, Herman J.; Peschar, René Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing Acta Crystallographica Section B 63(5) (2007) 783-790
Space group: P c a 21
Cell volume: 834.79
Cell parameters: 12.6511; 4.0371; 16.3449; 90; 90; 90;  

COD ID: 2102929
CIF file

Original IUCr paper

Formula: - C4 Br4 S -
Comments: Helmholdt, Robert B.; Sonneveld, Ed J.; Vande Velde, Christophe M. L.; Blockhuys, Frank; Lenstra, Albert T. H.; Geise, Herman J.; Peschar, René Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing Acta Crystallographica Section B 63(5) (2007) 783-790
Space group: P c a 21
Cell volume: 834.22
Cell parameters: 12.6482; 4.0362; 16.3411; 90; 90; 90;  

COD ID: 2102930
CIF file

Original IUCr paper

Formula: - C4 Br4 Se -
Comments: Helmholdt, Robert B.; Sonneveld, Ed J.; Vande Velde, Christophe M. L.; Blockhuys, Frank; Lenstra, Albert T. H.; Geise, Herman J.; Peschar, René Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing Acta Crystallographica Section B 63(5) (2007) 783-790
Space group: P 1 21/c 1
Cell volume: 837.875
Cell parameters: 14.86453; 4.078983; 13.90429; 90; 96.3502; 90;  

COD ID: 2102931
CIF file

Original IUCr paper

Formula: - C4 Br4 S -
Comments: Helmholdt, Robert B.; Sonneveld, Ed J.; Vande Velde, Christophe M. L.; Blockhuys, Frank; Lenstra, Albert T. H.; Geise, Herman J.; Peschar, René Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing Acta Crystallographica Section B 63(5) (2007) 783-790
Space group: P 1 n 1
Cell volume: 418.1
Cell parameters: 12.419; 4.0397; 8.824; 90; 109.181; 90;  

COD ID: 2102932
CIF file

Original IUCr paper

Formula: - C4 Br4 S -
Comments: Helmholdt, Robert B.; Sonneveld, Ed J.; Vande Velde, Christophe M. L.; Blockhuys, Frank; Lenstra, Albert T. H.; Geise, Herman J.; Peschar, René Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing Acta Crystallographica Section B 63(5) (2007) 783-790
Space group: P c a 21
Cell volume: 833.8
Cell parameters: 12.643; 4.034; 16.35; 90; 90; 90;  

COD ID: 2102933
CIF file

Original IUCr paper

Formula: - C4 Br4 S -
Comments: Helmholdt, Robert B.; Sonneveld, Ed J.; Vande Velde, Christophe M. L.; Blockhuys, Frank; Lenstra, Albert T. H.; Geise, Herman J.; Peschar, René Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing Acta Crystallographica Section B 63(5) (2007) 783-790
Space group: P c a 21
Cell volume: 819.69
Cell parameters: 12.5599; 3.9973; 16.3267; 90; 90; 90;  

COD ID: 2102934
CIF file

Original IUCr paper

Formula: - C4 Br4 S -
Comments: Helmholdt, Robert B.; Sonneveld, Ed J.; Vande Velde, Christophe M. L.; Blockhuys, Frank; Lenstra, Albert T. H.; Geise, Herman J.; Peschar, René Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing Acta Crystallographica Section B 63(5) (2007) 783-790
Space group: P 1 n 1
Cell volume: 411.9
Cell parameters: 12.376; 4.004; 8.816; 90; 109.452; 90;  

COD ID: 2102935
CIF file

Original IUCr paper

Formula: - Ag18.56 Li33.44 -
Comments: Tatsuo, Noritake; Masakazu, Aoki; Shin-ich, Towata; Tsunehiro, Takeuchi; Uichiro, Mizutani Structure determination of structurally complex Ag~36~Li~64~ gamma-brass Acta Crystallographica Section B 63(5) (2007) 726-734
Space group: I -4 3 m
Cell volume: 886.56
Cell parameters: 9.6066; 9.6066; 9.6066; 90; 90; 90;  

COD ID: 2102936
CIF file

Original IUCr paper

Formula: - Fe O2 Rb -
Comments: Nuss, Jürgen; Ali, Naveed Zafar; Jansen, Martin Structure of RbFeO~2~, refined from a reticular pseudomerohedrally twinned crystal with six domains Acta Crystallographica Section B 63(5) (2007) 719-725
Space group: P b c a
Cell volume: 1079.2
Cell parameters: 5.7568; 11.5136; 16.2827; 90; 90; 90;  

COD ID: 2102937
CIF file

Original IUCr paper

Formula: - C8 H24 I4 N2 Pb -
Comments: Billing, David G.; Lemmerer, Andreas Synthesis, characterization and phase transitions in the inorganic‒organic layered perovskite-type hybrids [(C~<i>n~</i>H~2<i>n~+1</i>NH~3~)~2~PbI~4~], <i>n</i> = 4, 5 and 6 Acta Crystallographica Section B 63(5) (2007) 735-747
Space group: P b c a
Cell volume: 1986.7
Cell parameters: 8.428; 8.986; 26.233; 90; 90; 90;  

COD ID: 2102938
CIF file

Original IUCr paper

Formula: - C8 H24 I4 N2 Pb -
Comments: Billing, David G.; Lemmerer, Andreas Synthesis, characterization and phase transitions in the inorganic‒organic layered perovskite-type hybrids [(C~<i>n~</i>H~2<i>n~+1</i>NH~3~)~2~PbI~4~], <i>n</i> = 4, 5 and 6 Acta Crystallographica Section B 63(5) (2007) 735-747
Space group: P b c a
Cell volume: 2129.67
Cell parameters: 8.8764; 8.6925; 27.6014; 90; 90; 90;  

COD ID: 2102939
CIF file

Original IUCr paper

Formula: - C10 H28 I4 N2 Pb -
Comments: Billing, David G.; Lemmerer, Andreas Synthesis, characterization and phase transitions in the inorganic‒organic layered perovskite-type hybrids [(C~<i>n~</i>H~2<i>n~+1</i>NH~3~)~2~PbI~4~], <i>n</i> = 4, 5 and 6 Acta Crystallographica Section B 63(5) (2007) 735-747
Space group: P 1 21/a 1
Cell volume: 1107.8
Cell parameters: 8.4716; 9.007; 14.784; 90; 100.881; 90;  

COD ID: 2102940
CIF file

Original IUCr paper

Formula: - C10 H28 I4 N2 Pb -
Comments: Billing, David G.; Lemmerer, Andreas Synthesis, characterization and phase transitions in the inorganic‒organic layered perovskite-type hybrids [(C~<i>n~</i>H~2<i>n~+1</i>NH~3~)~2~PbI~4~], <i>n</i> = 4, 5 and 6 Acta Crystallographica Section B 63(5) (2007) 735-747
Space group: P 1 21/a 1
Cell volume: 1134.01
Cell parameters: 8.6716; 8.9297; 14.8805; 90; 100.212; 90;  

COD ID: 2102941
CIF file

Original IUCr paper

Formula: - C10 H28 I4 N2 Pb -
Comments: Billing, David G.; Lemmerer, Andreas Synthesis, characterization and phase transitions in the inorganic‒organic layered perovskite-type hybrids [(C~<i>n~</i>H~2<i>n~+1</i>NH~3~)~2~PbI~4~], <i>n</i> = 4, 5 and 6 Acta Crystallographica Section B 63(5) (2007) 735-747
Space group: P b c a
Cell volume: 2356
Cell parameters: 9.0078; 8.731; 29.956; 90; 90; 90;  

COD ID: 2102942
CIF file

Original IUCr paper

Formula: - C12 H32 I4 N2 Pb -
Comments: Billing, David G.; Lemmerer, Andreas Synthesis, characterization and phase transitions in the inorganic‒organic layered perovskite-type hybrids [(C~<i>n~</i>H~2<i>n~+1</i>NH~3~)~2~PbI~4~], <i>n</i> = 4, 5 and 6 Acta Crystallographica Section B 63(5) (2007) 735-747
Space group: P 1 21/a 1
Cell volume: 1226.4
Cell parameters: 8.643; 8.845; 16.052; 90; 91.985; 90;  

COD ID: 2102943
CIF file

Original IUCr paper

Formula: - C12 H32 I4 N2 Pb -
Comments: Billing, David G.; Lemmerer, Andreas Synthesis, characterization and phase transitions in the inorganic‒organic layered perovskite-type hybrids [(C~<i>n~</i>H~2<i>n~+1</i>NH~3~)~2~PbI~4~], <i>n</i> = 4, 5 and 6 Acta Crystallographica Section B 63(5) (2007) 735-747
Space group: P b c a
Cell volume: 2540.24
Cell parameters: 8.9413; 8.6874; 32.7027; 90; 90; 90;  

COD ID: 2102944
CIF file

Original IUCr paper

Formula: - Fe0.91 S -
Comments: Izaola, Zunbeltz; González, Santiago; Elcoro, Luis; Perez-Mato, J. M.; Madariaga, Gotzon; García, Alberto Revision of pyrrhotite structures within a common superspace model Acta Crystallographica Section B 63(5) (2007) 693-702
Space group: (000 ???
Cell volume: 473.15
Cell parameters: 6.892; 11.952; 5.744; 90; 90; 90;  

COD ID: 2102945
CIF file

Original IUCr paper

Formula: - O3 Pb Ti0.35 Zr0.65 -
Comments: Mir, M.; Mascarenhas, Y.P.; Mastelaro, V.R.; Neves, P.P.; Doriguetto, A.C.; Garcia, D.; Lente, M.H.; Eiras, J.A. X-ray powder difraction structural characterization of Pb(1-x)Ba(x)Zr(0.65)Ti(0.35)O3 ceramic. Acta Crystallographica, Section B 63(5) (2007) 713-718
Space group: R 3 c :H
Cell volume: 412.547
Cell parameters: 5.7779174; 5.7779174; 14.2692051; 90; 90; 120;  

COD ID: 2102946
CIF file

Original IUCr paper

Formula: - O3 Pb Ti0.35 Zr0.65 -
Comments: Mir, M.; Mascarenhas, Y.P.; Mastelaro, V.R.; Neves, P.P.; Doriguetto, A.C.; Garcia, D.; Lente, M.H.; Eiras, J.A. X-ray powder diffraction structural characterization of Pb~1{-~<i>x</i>}Ba~<i>x~</i>Zr~0.65~Ti~0.35~O~3~ ceramic Acta Crystallographica Section B 63(5) (2007) 713-718
Space group: P m -3 m
Cell volume: 68.8383
Cell parameters: 4.09836; 4.09836; 4.09836; 90; 90; 90;  

COD ID: 2102947
CIF file

Original IUCr paper

Formula: - Ba0.1 O3 Pb0.9 Ti0.35 Zr0.65 -
Comments: Mir, M.; Mascarenhas, Y.P.; Mastelaro, V.R.; Neves, P.P.; Doriguetto, A.C.; Garcia, D.; Lente, M.H.; Eiras, J.A. X-ray powder diffraction structural characterization of Pb~1{-~<i>x</i>}Ba~<i>x~</i>Zr~0.65~Ti~0.35~O~3~ ceramic Acta Crystallographica Section B 63(5) (2007) 713-718
Space group: R 3 c :H
Cell volume: 414.114
Cell parameters: 5.78826; 5.78826; 14.27227; 90; 90; 120;  

COD ID: 2102948
CIF file

Original IUCr paper

Formula: - Ba0.1 O3 Pb0.9 Ti0.35 Zr0.65 -
Comments: Mir, M.; Mascarenhas, Y.P.; Mastelaro, V.R.; Neves, P.P.; Doriguetto, A.C.; Garcia, D.; Lente, M.H.; Eiras, J.A. X-ray powder diffraction structural characterization of Pb~1{-~<i>x</i>}Ba~<i>x~</i>Zr~0.65~Ti~0.35~O~3~ ceramic Acta Crystallographica Section B 63(5) (2007) 713-718
Space group: P m -3 m
Cell volume: 69.3024
Cell parameters: 4.10755; 4.10755; 4.10755; 90; 90; 90;  

COD ID: 2102949
CIF file

Original IUCr paper

Formula: - Ba0.2 O3 Pb0.8 Ti0.35 Zr0.65 -
Comments: Mir, M.; Mascarenhas, Y.P.; Mastelaro, V.R.; Neves, P.P.; Doriguetto, A.C.; Garcia, D.; Lente, M.H.; Eiras, J.A. X-ray powder diffraction structural characterization of Pb~1{-~<i>x</i>}Ba~<i>x~</i>Zr~0.65~Ti~0.35~O~3~ ceramic Acta Crystallographica Section B 63(5) (2007) 713-718
Space group: R 3 c :H
Cell volume: 415.338
Cell parameters: 5.79776; 5.79776; 14.26758; 90; 90; 120;  

COD ID: 2102950
CIF file

Original IUCr paper

Formula: - Ba0.2 O3 Pb0.8 Ti0.35 Zr0.65 -
Comments: Mir, M.; Mascarenhas, Y.P.; Mastelaro, V.R.; Neves, P.P.; Doriguetto, A.C.; Garcia, D.; Lente, M.H.; Eiras, J.A. X-ray powder diffraction structural characterization of Pb~1{-~<i>x</i>}Ba~<i>x~</i>Zr~0.65~Ti~0.35~O~3~ ceramic Acta Crystallographica Section B 63(5) (2007) 713-718
Space group: P m -3 m
Cell volume: 69.5082
Cell parameters: 4.11161; 4.11161; 4.11161; 90; 90; 90;  

COD ID: 2102951
CIF file

Original IUCr paper

Formula: - Ba0.3 O3 Pb0.7 Ti0.35 Zr0.65 -
Comments: Mir, M.; Mascarenhas, Y.P.; Mastelaro, V.R.; Neves, P.P.; Doriguetto, A.C.; Garcia, D.; Lente, M.H.; Eiras, J.A. X-ray powder diffraction structural characterization of Pb~1{-~<i>x</i>}Ba~<i>x~</i>Zr~0.65~Ti~0.35~O~3~ ceramic Acta Crystallographica Section B 63(5) (2007) 713-718
Space group: P m -3 m
Cell volume: 69.5487
Cell parameters: 4.11241; 4.11241; 4.11241; 90; 90; 90;  

COD ID: 2102952
CIF file

Original IUCr paper

Formula: - Ba0.4 O3 Pb0.6 Ti0.35 Zr0.65 -
Comments: Mir, M.; Mascarenhas, Y.P.; Mastelaro, V.R.; Neves, P.P.; Doriguetto, A.C.; Garcia, D.; Lente, M.H.; Eiras, J.A. X-ray powder diffraction structural characterization of Pb~1{-~<i>x</i>}Ba~<i>x~</i>Zr~0.65~Ti~0.35~O~3~ ceramic Acta Crystallographica Section B 63(5) (2007) 713-718
Space group: P m -3 m
Cell volume: 69.7331
Cell parameters: 4.11604; 4.11604; 4.11604; 90; 90; 90;  

COD ID: 2102953
CIF file

HKL data

Original IUCr paper

Formula: - B6 Ce -
Comments: Ryoko, Makita; k̄iyoaki, Tanaka; Ōnuki, Yoshichika; H̄iroshi, Tatewaki Inversion of 4<i>f</i>-states in CeB~6~ thermally excited at 430K Acta Crystallographica Section B 63(5) (2007) 683-692
Space group: P m -3 m
Cell volume: 71.26
Cell parameters: 4.14586; 4.14586; 4.14586; 90; 90; 90;  

COD ID: 2102954
CIF file

HKL data

Original IUCr paper

Formula: - C11 H21 N3 O5 -
Comments: Kalinowski, Roman; Dittrich, Birger; Hübschle, Christian; Luger, Peter; Paulmann, Carsten Experimental charge density of <small>L</small>-alanyl-<small>L</small>-prolyl-<small>L</small>-alanine hydrate: classical multipole and invariom approach, analysis of intra- and intermolecular topological properties Acta Crystallographica Section B 63(5) (2007) 753-767
Space group: P 21 21 21
Cell volume: 1340.9
Cell parameters: 6.825; 9.042; 21.728; 90; 90; 90;  

COD ID: 2102955
CIF file

Original IUCr paper

Formula: - Al14 Ca12 O33 -
Comments: Boysen, H.; Lerch, M.; Stys, A.; Senyshyn, A. Structure and oxygen mobility in mayenite (Ca~12~Al~14~O~33~): a high-temperature neutron powder diffraction study Acta Crystallographica Section B 63(5) (2007) 675-682
Space group: I -4 3 d
Cell volume: 1719.12
Cell parameters: 11.9794; 11.9794; 11.9794; 90; 90; 90;  

COD ID: 2102956
CIF file

Original IUCr paper

Formula: - Al14 Ca12 O33 -
Comments: Boysen, H.; Lerch, M.; Stys, A.; Senyshyn, A. Structure and oxygen mobility in mayenite (Ca~12~Al~14~O~33~): a high-temperature neutron powder diffraction study Acta Crystallographica Section B 63(5) (2007) 675-682
Space group: I -4 3 d
Cell volume: 1741.34
Cell parameters: 12.0308; 12.0308; 12.0308; 90; 90; 90;  

COD ID: 2102957
CIF file

Original IUCr paper

Formula: - Al14 Ca12 O33 -
Comments: Boysen, H.; Lerch, M.; Stys, A.; Senyshyn, A. Structure and oxygen mobility in mayenite (Ca~12~Al~14~O~33~): a high-temperature neutron powder diffraction study Acta Crystallographica Section B 63(5) (2007) 675-682
Space group: I -4 3 d
Cell volume: 1747.47
Cell parameters: 12.0449; 12.0449; 12.0449; 90; 90; 90;  

COD ID: 2102958
CIF file

Original IUCr paper

Formula: - Al14 Ca12 O33 -
Comments: Boysen, H.; Lerch, M.; Stys, A.; Senyshyn, A. Structure and oxygen mobility in mayenite (Ca~12~Al~14~O~33~): a high-temperature neutron powder diffraction study Acta Crystallographica Section B 63(5) (2007) 675-682
Space group: I -4 3 d
Cell volume: 1753.4
Cell parameters: 12.0585; 12.0585; 12.0585; 90; 90; 90;  

COD ID: 2102959
CIF file

Original IUCr paper

Formula: - C2 H2 Cl2 O2 -
Comments: Roman Gajda; Andrzej Katrusiak Compressed hydrogen-bond effects in the pressure-frozen chloroacetic acid Acta Crystallographica Section B 63(6) (2007) 896-902
Space group: P 1 21/n 1
Cell volume: 470.1
Cell parameters: 4.914; 11.384; 8.418; 90; 93.45; 90;  

COD ID: 2102960
CIF file

HKL data

Original IUCr paper

Formula: - C2 H2 Cl2 O2 -
Comments: Roman Gajda; Andrzej Katrusiak Compressed hydrogen-bond effects in the pressure-frozen chloroacetic acid Acta Crystallographica Section B 63(6) (2007) 896-902
Space group: P 1 21/n 1
Cell volume: 428.2
Cell parameters: 4.6404; 11.134; 8.299; 90; 92.89; 90;  

COD ID: 2102961
CIF file

Original IUCr paper

Formula: - C2 H2 Cl2 O2 -
Comments: Roman Gajda; Andrzej Katrusiak Compressed hydrogen-bond effects in the pressure-frozen chloroacetic acid Acta Crystallographica Section B 63(6) (2007) 896-902
Space group: P 1 21/n 1
Cell volume: 426.41
Cell parameters: 4.6589; 11.174; 8.2013; 90; 92.88; 90;  

COD ID: 2102962
CIF file

HKL data

Original IUCr paper

Formula: - C2 H2 Cl2 O2 -
Comments: Roman Gajda; Andrzej Katrusiak Compressed hydrogen-bond effects in the pressure-frozen chloroacetic acid Acta Crystallographica Section B 63(6) (2007) 896-902
Space group: P 1 21/n 1
Cell volume: 404.7
Cell parameters: 4.563; 10.978; 8.087; 90; 92.6; 90;  

COD ID: 2102963
CIF file

Original IUCr paper

Formula: - C20 H12 N2 O2 -
Comments: Buchsbaum, Christian; Schmidt, Martin U. Rietveld refinement of a wrong crystal structure Acta Crystallographica Section B 63(6) (2007) 926-932
Space group: P 1 21/c 1
Cell volume: 694.13
Cell parameters: 6.6661; 3.868; 27.386; 90; 100.58; 90;  

COD ID: 2102964
CIF file

HKL data

Original IUCr paper

Formula: - C H2 Br Cl -
Comments: Podsiadło, Marcin; Katrusiak, Andrzej Isobaric and isochoric freezing of CH~2~BrCl and isostructural relations between CH~2~Cl~2~, CH~2~Br~2~ and CH~2~BrCl Acta Crystallographica Section B 63(6) (2007) 903-911
Space group: C 1 2/c 1
Cell volume: 729.3
Cell parameters: 11.959; 4.4531; 14.873; 90; 112.96; 90;  

COD ID: 2102965
CIF file

HKL data

Original IUCr paper

Formula: - C H2 Br Cl -
Comments: Podsiadło, Marcin; Katrusiak, Andrzej Isobaric and isochoric freezing of CH~2~BrCl and isostructural relations between CH~2~Cl~2~, CH~2~Br~2~ and CH~2~BrCl Acta Crystallographica Section B 63(6) (2007) 903-911
Space group: C 1 2/c 1
Cell volume: 709.8
Cell parameters: 11.874; 4.4224; 14.582; 90; 112.04; 90;  

COD ID: 2102966
CIF file

HKL data

Original IUCr paper

Formula: - C H2 Br Cl -
Comments: Podsiadło, Marcin; Katrusiak, Andrzej Isobaric and isochoric freezing of CH~2~BrCl and isostructural relations between CH~2~Cl~2~, CH~2~Br~2~ and CH~2~BrCl Acta Crystallographica Section B 63(6) (2007) 903-911
Space group: P b c n
Cell volume: 323.7
Cell parameters: 4.1126; 8.0685; 9.755; 90; 90; 90;  

COD ID: 2102967
CIF file

HKL data

Original IUCr paper

Formula: - C H2 Br Cl -
Comments: Podsiadło, Marcin; Katrusiak, Andrzej Isobaric and isochoric freezing of CH~2~BrCl and isostructural relations between CH~2~Cl~2~, CH~2~Br~2~ and CH~2~BrCl Acta Crystallographica Section B 63(6) (2007) 903-911
Space group: P b c n
Cell volume: 306.73
Cell parameters: 3.9929; 7.9351; 9.6808; 90; 90; 90;  

COD ID: 2102968
CIF file

Original IUCr paper

Formula: - C24 H31 N O3 -
Comments: Turowska-Tyrk, Ilona; Bakowicz, Julia; Scheffer, John R. Monitoring structural transformations in crystals. 11. Yang photocyclizations ‒ one type of reaction, but diversity of structural changes Acta Crystallographica Section B 63(6) (2007) 933-940
Space group: P 21 21 21
Cell volume: 2155.9
Cell parameters: 6.7448; 11.849; 26.976; 90; 90; 90;  

COD ID: 2102969
CIF file

HKL data

Original IUCr paper

Formula: - C24 H31 N O3 -
Comments: Turowska-Tyrk, Ilona; Bakowicz, Julia; Scheffer, John R. Monitoring structural transformations in crystals. 11. Yang photocyclizations ‒ one type of reaction, but diversity of structural changes Acta Crystallographica Section B 63(6) (2007) 933-940
Space group: P 21 21 21
Cell volume: 2158.2
Cell parameters: 6.7891; 11.852; 26.822; 90; 90; 90;  

COD ID: 2102970
CIF file

HKL data

Original IUCr paper

Formula: - C24 H31 N O3 -
Comments: Turowska-Tyrk, Ilona; Bakowicz, Julia; Scheffer, John R. Monitoring structural transformations in crystals. 11. Yang photocyclizations ‒ one type of reaction, but diversity of structural changes Acta Crystallographica Section B 63(6) (2007) 933-940
Space group: P 21 21 21
Cell volume: 2162.8
Cell parameters: 6.832; 11.897; 26.609; 90; 90; 90;  

COD ID: 2102971
CIF file

HKL data

Original IUCr paper

Formula: - C24 H31 N O3 -
Comments: Turowska-Tyrk, Ilona; Bakowicz, Julia; Scheffer, John R. Monitoring structural transformations in crystals. 11. Yang photocyclizations ‒ one type of reaction, but diversity of structural changes Acta Crystallographica Section B 63(6) (2007) 933-940
Space group: P 21 21 21
Cell volume: 2156.4
Cell parameters: 6.8632; 11.9445; 26.305; 90; 90; 90;  

COD ID: 2102972
CIF file

HKL data

Original IUCr paper

Formula: - C24 H31 N O3 -
Comments: Turowska-Tyrk, Ilona; Bakowicz, Julia; Scheffer, John R. Monitoring structural transformations in crystals. 11. Yang photocyclizations ‒ one type of reaction, but diversity of structural changes Acta Crystallographica Section B 63(6) (2007) 933-940
Space group: P 21 21 21
Cell volume: 2152.8
Cell parameters: 6.8834; 12.0641; 25.924; 90; 90; 90;  

COD ID: 2102973
CIF file

Original IUCr paper

Formula: - C13 H11 N3 O -
Comments: Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher Supramolecular structures in <i>N</i>-isonicotinoyl arylaldehydehydrazones: multiple hydrogen-bonding modes in series of geometric isomers Acta Crystallographica Section B 63(6) (2007) 879-895
Space group: P b c a
Cell volume: 4376.3
Cell parameters: 7.1927; 21.2168; 28.6771; 90; 90; 90;  

COD ID: 2102974
CIF file

Original IUCr paper

Formula: - C13 H10 F N3 O -
Comments: Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher Supramolecular structures in <i>N</i>-isonicotinoyl arylaldehydehydrazones: multiple hydrogen-bonding modes in series of geometric isomers Acta Crystallographica Section B 63(6) (2007) 879-895
Space group: P -1
Cell volume: 1098.45
Cell parameters: 7.4815; 11.1344; 14.5365; 90.663; 104.903; 109.268;  

COD ID: 2102975
CIF file

Original IUCr paper

Formula: - C13 H10 F N3 O -
Comments: Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher Supramolecular structures in <i>N</i>-isonicotinoyl arylaldehydehydrazones: multiple hydrogen-bonding modes in series of geometric isomers Acta Crystallographica Section B 63(6) (2007) 879-895
Space group: P b c a
Cell volume: 4535.7
Cell parameters: 13.191; 18.8057; 18.2843; 90; 90; 90;  


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