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Information card for entry 7103832
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7103832.cif |
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Original paper (by DOI) | HTML |
Common name | (eta$5!-methylcyclopentadienyl)-bis(dimethylphosphino)ethane- vinyl-bis(triphenylstannyl)acetylide-manganese(i) |
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Chemical name | (η^5^-methylcyclopentadienyl)-bis(dimethylphosphino)ethane-vinyl- bis(triphenylstannyl)acetylide-manganese(I) |
Formula | C52 H53 Mn P2 Sn2 |
Calculated formula | C52 H53 Mn P2 Sn2 |
SMILES | [Sn](C(=C=[Mn]12345([P](CC[P]1(C)C)(C)C)[cH]1[c]5([cH]4[cH]3[cH]21)C)C#C[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | A facile and novel route to unprecedented manganese C4 cumulenic complexes |
Authors of publication | Venkatesan, Koushik; Fernández, Francisco J; Blacque, Olivier; Fox, Thomas; Alfonso, Montserrat; Schmalle, Helmut W; Berke, Heinz |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2003 |
Journal issue | 16 |
Pages of publication | 2006 - 2008 |
a | 11.1101 ± 0.0005 Å |
b | 16.0437 ± 0.0005 Å |
c | 26.504 ± 0.0005 Å |
α | 90° |
β | 96.074 ± 0.006° |
γ | 90° |
Cell volume | 4697.7 ± 0.3 Å3 |
Cell temperature | 183 ± 2 K |
Ambient diffraction temperature | 183 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1146 |
Residual factor for significantly intense reflections | 0.0396 |
Weighted residual factors for significantly intense reflections | 0.076 |
Weighted residual factors for all reflections included in the refinement | 0.0897 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.612 |
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/7103832.html
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structural data.