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Information card for entry 7117666
Preview
Coordinates | 7117666.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H44 Cl4 Mn8 O8 P4 |
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Calculated formula | C50 H44 Cl4 Mn8 O8 P4 |
SMILES | [cH]12[cH]3[cH]4[cH]5[cH]1[Mn]167892345[P]2([Mn]345%10%11%12%136([cH]6[cH]5[cH]4[cH]3[cH]%106)[P]1([Mn]1345(C#[O])(C#[O])[cH]6[cH]1[cH]3[cH]4[cH]56)[Mn]13456%109%13([cH]9[cH]6[cH]4[cH]3[cH]19)[P]7([Mn]134682%12%10([cH]2[cH]1[cH]3[cH]4[cH]62)[P]%115[Mn]1234([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])C#[O])[Mn]1234([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])C#[O])[Mn]1234([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])C#[O].C(Cl)Cl.C(Cl)Cl |
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 | 29.4777 ± 0.0008 Å |
b | 11.0635 ± 0.0003 Å |
c | 21.2608 ± 0.0006 Å |
α | 90° |
β | 132.06 ± 0.004° |
γ | 90° |
Cell volume | 5147.9 ± 0.4 Å3 |
Cell temperature | 123.01 ± 0.1 K |
Ambient diffraction temperature | 123.01 ± 0.1 K |
Number of distinct elements | 6 |
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 | 0.0343 |
Residual factor for significantly intense reflections | 0.0267 |
Weighted residual factors for significantly intense reflections | 0.0652 |
Weighted residual factors for all reflections included in the refinement | 0.0667 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
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/7117666.html
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