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Information card for entry 2006058
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Coordinates | 2006058.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | μ-1,4-Bis(diphenylphosphino)phenylene-P,P'-bis[μ~3~-benzylidene-octacarbonyl- triangulo-tricobalt(3 Co—Co)] |
---|---|
Formula | C60 H34 Co6 O16 P2 |
Calculated formula | C60 H34 Co6 O16 P2 |
SMILES | C12([Co]3([P](c4ccc(cc4)[P]([Co]45(C6(c7ccccc7)[Co]4(C#[O])(C#[O])(C#[O])[Co]56(C#[O])(C#[O])C#[O])(C#[O])C#[O])(c4ccccc4)c4ccccc4)(c4ccccc4)c4ccccc4)(C#[O])([Co]1(C#[O])(C#[O])([Co]23(C#[O])(C#[O])C#[O])C#[O])C#[O])c1ccccc1 |
Title of publication | μ-1,4-Bis(diphenylphosphino)phenylene-<i>P</i>:<i>P</i>'-bis[μ~3~-benzylidyne-octacarbonyl-<i>triangulo</i>-tricobalt(3 <i>Co</i>—<i>Co</i>)] |
Authors of publication | Alexander, N. C.; Robinson, B. H.; Simpson, J. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1997 |
Journal volume | 53 |
Journal issue | 4 |
Pages of publication | 425 - 428 |
a | 9.324 ± 0.003 Å |
b | 17.688 ± 0.004 Å |
c | 17.81 ± 0.006 Å |
α | 90° |
β | 95.77 ± 0.03° |
γ | 90° |
Cell volume | 2922.4 ± 1.5 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for significantly intense reflections | 0.0487 |
Weighted residual factors for significantly intense reflections | 0.0434 |
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/2006058.html
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