Crystallography Open Database
Search results
Result : There are 390 entries in the selection
You can download the COD numbers of the selection as a text file
You can download all files as a single ZIP archive
We are displaying first 300 results.
Searching journal of publication like 'Acta Crystallographica, Section B' volume of publication is 63
COD ID: 2102676 | |
CIF file | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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; |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!