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Information card for entry 2205755
Preview
Coordinates | 2205755.cif |
---|---|
Structure factors | 2205755.hkl |
Original IUCr paper | HTML |
Chemical name | μ^2^-Diphosphorus(P—P)-1:2κ^2^P,P;1:2κ^2^P',P' bis[η^5^-ethoxycarbonylcyclopentadienyl]- bis(carbonyl-1κC)bis(carbonyl-2κC)dimolybdenum(I)(Mo—Mo)] |
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Formula | C20 H18 Mo2 O8 P2 |
Calculated formula | C20 H18 Mo2 O8 P2 |
SMILES | [Mo]123456([Mo]789%10%11([P]1=[P]27)(C#[O])(C#[O])[c]1([cH]8[cH]9[cH]%10[cH]%111)C(=O)OCC)(C#[O])(C#[O])[c]1([cH]3[cH]4[cH]5[cH]61)C(=O)OCC |
Title of publication | μ~2~-Diphosphorus(P—P)-1:2κ^2^<i>P</i>,<i>P</i>;1:2κ^2^<i>P</i>',<i>P</i>'-bis[η^5^-ethoxycarbonylcyclopentadienyl]-bis(carbonyl-1κ<i>C</i>)bis(carbonyl-2κ<i>C</i>)dimolybdenum(I)(Mo—Mo)] |
Authors of publication | Yao-Cheng Shi; Bei-Bei Zhu; Rong Guo |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 5 |
Pages of publication | m844 - m845 |
a | 25.705 ± 0.009 Å |
b | 7.912 ± 0.004 Å |
c | 24.636 ± 0.008 Å |
α | 90° |
β | 112.742 ± 0.008° |
γ | 90° |
Cell volume | 4621 ± 3 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0612 |
Residual factor for significantly intense reflections | 0.0352 |
Weighted residual factors for significantly intense reflections | 0.0846 |
Weighted residual factors for all reflections included in the refinement | 0.0918 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2205755.html
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