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Information card for entry 4317393
Preview
Coordinates | 4317393.cif |
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Original paper (by DOI) | HTML |
Formula | C76 H152 K4 N10 O27 Sn9 W |
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Calculated formula | C77 H72 K4 N10 O27 Sn9 W |
Title of publication | Syntheses, Crystal Structures, and Density Functional Theory Calculations of the closo-[1-M(CO)3(η4-E9)]4- (E = Sn, Pb; M = Mo, W) Cluster Anions and Solution NMR Spectroscopic Characterization of [1-M(CO)3(η4-Sn9)]4- (M = Cr, Mo, W) |
Authors of publication | Janette Campbell; Hélène P. A. Mercier; Holger Franke; David P. Santry; David A. Dixon; Gary J. Schrobilgen |
Journal of publication | Inorganic Chemistry |
Year of publication | 2002 |
Journal volume | 41 |
Pages of publication | 86 - 107 |
a | 17.018 ± 0.003 Å |
b | 27.057 ± 0.005 Å |
c | 28.298 ± 0.006 Å |
α | 66.42 ± 0.03° |
β | 76.72 ± 0.03° |
γ | 87.27 ± 0.03° |
Cell volume | 11608 ± 5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1692 |
Residual factor for significantly intense reflections | 0.1215 |
Weighted residual factors for all reflections | 0.4243 |
Weighted residual factors for significantly intense reflections | 0.3794 |
Goodness-of-fit parameter for all reflections | 1.653 |
Goodness-of-fit parameter for significantly intense reflections | 1.911 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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