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Information card for entry 7005960
Preview
Coordinates | 7005960.cif |
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Original paper (by DOI) | HTML |
Formula | C60 H112 Mo2 N12 |
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Calculated formula | C60 H112 Mo2 N12 |
SMILES | [Mo]1234[Mo]([N]5=C6N3CC(CN6CC(C5)(CC)CC)(CC)CC)(N3C5=[N]1CC(CN5CC(C3)(CC)CC)(CC)CC)([N]1=C3N2CC(CN3CC(C1)(CC)CC)(CC)CC)N1C2=[N]4CC(CN2CC(C1)(CC)CC)(CC)CC |
Title of publication | Increasing the solubility of strong reducing agents containing Mo(2)(4+) units and alkyl-substituted guanidinate ligands. |
Authors of publication | Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 35 |
Pages of publication | 3943 - 3951 |
a | 11.2621 ± 0.0019 Å |
b | 14.365 ± 0.002 Å |
c | 20.885 ± 0.004 Å |
α | 97.18 ± 0.003° |
β | 100.508 ± 0.003° |
γ | 103.563 ± 0.003° |
Cell volume | 3179.3 ± 0.9 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0783 |
Residual factor for significantly intense reflections | 0.0438 |
Weighted residual factors for significantly intense reflections | 0.0889 |
Weighted residual factors for all reflections included in the refinement | 0.0984 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.97 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7005960.html
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