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Information card for entry 7117663
Preview
Coordinates | 7117663.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H27 Cl2 Mn5 O2 P4 |
---|---|
Calculated formula | C28 H27 Cl2 Mn5 O2 P4 |
SMILES | [Mn]123456(P7[Mn]89%10%11%12(P%13[Mn]%14%15%16%17(P18)([P]2([Mn]128%187%13[cH]7[cH]1[cH]2[cH]8[cH]%187)[Mn]1278([cH]%13[cH]8[cH]7[cH]2[cH]1%13)(C#[O])C#[O])[cH]1[cH]%17[cH]%16[cH]%15[cH]%141)[cH]1[cH]9[cH]%10[cH]%11[cH]%121)[cH]1[cH]6[cH]5[cH]4[cH]31.ClCCl |
Title of publication | The synthesis of the heterocubane cluster [{CpMn}4(mu3-P)4] as a tetrahedral shaped starting material for the formation of polymeric coordination compounds |
Authors of publication | Sebastian Heinl; Konrad Kiefer; Gabor Balazs; Claudia Wickleder; Manfred Scheer |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 13474 |
a | 11.9099 ± 0.0001 Å |
b | 14.821 ± 0.0001 Å |
c | 17.9552 ± 0.0002 Å |
α | 90° |
β | 106.097 ± 0.001° |
γ | 90° |
Cell volume | 3045.13 ± 0.05 Å3 |
Cell temperature | 123.05 ± 0.1 K |
Ambient diffraction temperature | 123.05 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0329 |
Residual factor for significantly intense reflections | 0.0255 |
Weighted residual factors for significantly intense reflections | 0.0561 |
Weighted residual factors for all reflections included in the refinement | 0.0572 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.867 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7117663.html
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Users of the data should acknowledge the original authors of the
structural data.