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Information card for entry 4105289
Preview
Coordinates | 4105289.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H90 O Pt Zn8 |
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Calculated formula | C52 H90 O Pt Zn8 |
SMILES | [c]12([c]3([c]4([c]5([c]1([Zn]1672345[Pt]234589[Zn]%10%11%12%13%14%15([c]%16([c]%10([c]%11([c]%12([c]%13%16C)C)C)C)C)[Zn]%10%113(CC)[Zn]312(CC)[Zn]12%12%134%10([c]4([c]1([c]2([c]%12([c]%134C)C)C)C)C)[Zn]68%14(CC)[Zn]79%15(CC)[Zn]12465%113[c]3([c]1([c]2([c]4([c]63C)C)C)C)C)C)C)C)C)C.O(CC)CC |
Title of publication | Molecular Alloys, Linking Organometallics with Intermetallic Hume-Rothery Phases: The Highly Coordinated Transition Metal Compounds [M(ZnR)n] (n >= 8) Containing Organo-Zinc Ligands |
Authors of publication | Thomas Cadenbach; Timo Bollermann; Christian Gemel; Mustafa Tombul; Israel Fernandez; Moritz von Hopffgarten; Gernot Frenking; Roland A. Fischer |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 16063 - 16077 |
a | 17.2256 ± 0.0003 Å |
b | 17.7766 ± 0.0003 Å |
c | 18.5676 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5685.63 ± 0.17 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 5 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0435 |
Residual factor for significantly intense reflections | 0.0234 |
Weighted residual factors for significantly intense reflections | 0.0532 |
Weighted residual factors for all reflections included in the refinement | 0.057 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.949 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4105289.html
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