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Information card for entry 4343011
Preview
Coordinates | 4343011.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C76 H68 B2 F8 Fe2 Mo2 N2 O4 P4 |
---|---|
Calculated formula | C76 H68 B2 F8 Fe2 Mo2 N2 O4 P4 |
SMILES | C1([c]23[cH]4[cH]5[cH]6[cH]3[Fe]37892456[cH]2[cH]7[cH]8[cH]9[cH]32)=[O][Mo]234([N]#CC)[P](c5ccccc5)(c5ccccc5)C[P](c5ccccc5)(c5ccccc5)[Mo]4([O]=C([c]45[cH]6[cH]7[cH]8[cH]4[Fe]49%10%115678[cH]5[cH]%11[cH]%10[cH]9[cH]45)O2)(O1)[P](c1ccccc1)(C[P]3(c1ccccc1)c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].N#CC |
Title of publication | Rational Synthesis and Characterization of Dimolybdenum(II) Compounds Bearing Ferrocenyl-Containing Ligands toward Modulation of Electronic Coupling. |
Authors of publication | Cai, Xu-Min; Riener, Korbinian; Herdtweck, Eberhardt; Pöthig, Alexander; Kühn, Fritz E |
Journal of publication | Inorganic chemistry |
Year of publication | 2015 |
Pages of publication | 150317135657008 |
a | 14.0024 ± 0.0005 Å |
b | 12.726 ± 0.0004 Å |
c | 23.2277 ± 0.0008 Å |
α | 90° |
β | 107.238 ± 0.0016° |
γ | 90° |
Cell volume | 3953.1 ± 0.2 Å3 |
Cell temperature | 123 ± 1 K |
Ambient diffraction temperature | 123 ± 1 K |
Number of distinct elements | 9 |
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 | 0.0466 |
Residual factor for significantly intense reflections | 0.0438 |
Weighted residual factors for significantly intense reflections | 0.1125 |
Weighted residual factors for all reflections included in the refinement | 0.1141 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
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/4343011.html
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