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Information card for entry 4075585
Preview
Coordinates | 4075585.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H47 Mo2 N3 O S2 |
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Calculated formula | C41 H47 Mo2 N3 O S2 |
SMILES | C[S]1[Mo]23456789C(=[O][Mo]%10%11%12%1319(=[C]=7N(c1c(cccc1C)C)/C(=N/c1c(cccc1C)C)[c]12[cH]3[cH]4[cH]5[cH]61)([cH]1[cH]%10[cH]%11[cH]%12[cH]%131)[S]8C)N(CC)c1c(cccc1C)C |
Title of publication | Formation of C−C, C−N, and C−O Links between Isonitrile, Cyclopentadienyl, and Hydroxide Ligands Bound to Molybdenum(III): Syntheses and Crystal Structures of μ-Aminocarbyne and μ-Amino-oxycarbene Dimolybdenum Complexes |
Authors of publication | Ojo, Wilfried-Solo; Paugam, Eddy; Pétillon, François Y.; Schollhammer, Philippe; Talarmin, Jean; Muir, Kenneth W. |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 16 |
Pages of publication | 4009 |
a | 12.9957 ± 0.001 Å |
b | 18.5383 ± 0.0014 Å |
c | 16.2894 ± 0.0015 Å |
α | 90 ± 0.007° |
β | 95.627 ± 0.007° |
γ | 90 ± 0.006° |
Cell volume | 3905.5 ± 0.6 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1061 |
Residual factor for significantly intense reflections | 0.065 |
Weighted residual factors for significantly intense reflections | 0.1076 |
Weighted residual factors for all reflections included in the refinement | 0.1218 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
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/4075585.html
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Users of the data should acknowledge the original authors of the
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