Crystallography Open Database





Information card for 4107497

4107496 << 4107497 >> 4107498

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Coordinates

4107497.cif

Structure parameters

Chemical name Si3Se-bicyclo[1.1.0]butane
Formula - C36 H84 Se Si7 -
Calculated formula - C36 H84 Se Si7 -
Title of publication Isomeric Metamorphosis: Si3E (E = S, Se, and Te) Bicyclo[1.1.0]butane and Cyclobutene
Authors of publication Vladimir Ya. Lee; Shogo Miyazaki; Hiroyuki Yasuda; Akira Sekiguchi
Journal of publication Journal of the American Chemical Society
Year of publication 2008
Journal volume 130
Pages of publication 2758 - 2759
a 12.671 ± 0.0004 Å
b 17.396 ± 0.0003 Å
c 21.867 ± 0.0007 Å
α 90°
β 90°
γ 90°
Cell volume 4820 ± 0.2 Å3
Cell temperature 150 K
Ambient diffraction temperature 150 K
Number of distinct elements 4
Hermann-Mauguin symmetry space group P 21 21 21
Hall symmetry space group P 2ac 2ab
Residual factor for all reflections 0.063
Residual factor for observed reflections 0.0533
Weighted residual factors for the observed reflections 0.1436
Weighted residual factors for all reflections included in the refinement 0.15
Goodness-of-fit parameter for observed reflections 1.046
Diffraction radiation wavelength 0.7107 Å
Diffraction radiation type MoKα
Has coordinates Yes
Has disorder No
Has Fobs No

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