Crystallography Open Database





Information card for 4107499

4107498 << 4107499 >> 4107500

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Coordinates

4107499.cif

Structure parameters

Chemical name Si3Se-cyclobutene
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 20.007 ± 0.0007 Å
b 12.243 ± 0.0004 Å
c 23.723 ± 0.0007 Å
α 90°
β 123.58 ± 0.002°
γ 90°
Cell volume 4841.1 ± 0.3 Å3
Cell temperature 150 K
Ambient diffraction temperature 150 K
Number of distinct elements 4
Hermann-Mauguin symmetry space group P 1 21/c 1
Hall symmetry space group -P 2ybc
Residual factor for all reflections 0.0761
Residual factor for observed reflections 0.0615
Weighted residual factors for the observed reflections 0.1705
Weighted residual factors for all reflections included in the refinement 0.1827
Goodness-of-fit parameter for observed reflections 1.051
Diffraction radiation wavelength 0.7107 Å
Diffraction radiation type MoKα
Has coordinates Yes
Has disorder No
Has Fobs No

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