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Information card for entry 4063204
Preview
Coordinates | 4063204.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | {η^4^:η^4^-[3~4~]Cyclobutadienophane}(η^5^- methoxycarbonylcyclopentadienyl)(η^5^- cyclopentadienyl)cobalt (5) |
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Formula | C32 H36 Co2 O2 |
Calculated formula | C32 H36 Co2 O2 |
SMILES | [Co]1234567([C]89=[C]%101CCC[C]1%11=[C]%12%13[Co]%14%15%16%17%181([C]%11(CCC8)=[C]%13%14CCC[C]29=[C]3%10CCC%12)[cH]1[cH]%15[cH]%16[cH]%17[c]%181C(=O)OC)[cH]1[cH]4[cH]5[cH]6[cH]71 |
Title of publication | Synthesis and Properties of Donor-Acceptor-Substituted Metal-Capped Fourfold-Bridged Cyclobutadienophanes |
Authors of publication | Rolf Gleiter; Rolf Roers; Jörg Classen; Albrecht Jacobi; Gottfried Huttner; Thomas Oeser |
Journal of publication | Organometallics |
Year of publication | 2000 |
Journal volume | 19 |
Pages of publication | 147 - 151 |
a | 20.022 ± 0.004 Å |
b | 8.155 ± 0.002 Å |
c | 16.421 ± 0.003 Å |
α | 90° |
β | 110.85 ± 0.03° |
γ | 90° |
Cell volume | 2505.7 ± 0.9 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0704 |
Residual factor for significantly intense reflections | 0.0397 |
Weighted residual factors for significantly intense reflections | 0.0745 |
Weighted residual factors for all reflections included in the refinement | 0.0814 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
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/4063204.html
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Users of the data should acknowledge the original authors of the
structural data.