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Information card for entry 4320002
Preview
Coordinates | 4320002.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C96 H102 Mo2 N12 Na2 O10.61 |
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Calculated formula | C96 H102 Mo2 N12 Na2 O10.61 |
SMILES | c1(ccccc1)N1CC[N]23[Mo]1(N(c1ccccc1)CC2)(N(c1ccccc1)CC3)[N]#[N][Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[N]#[N][Mo]123N(c4ccccc4)CC[N]3(CCN2c2ccccc2)CCN1c1ccccc1.C1CCCO1.[Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.C1CCCO1 |
Title of publication | Synthesis, Structure, and Electrochemical Studies of Molybdenum and Tungsten Dinitrogen, Diazenido, and Hydrazido Complexes That Contain Aryl-Substituted Triamidoamine Ligands |
Authors of publication | George E. Greco; Richard R. Schrock |
Journal of publication | Inorganic Chemistry |
Year of publication | 2001 |
Journal volume | 40 |
Pages of publication | 3861 - 3878 |
a | 13.3659 ± 0.0015 Å |
b | 13.3659 ± 0.0015 Å |
c | 93.012 ± 0.013 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 14390 ± 3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 167 |
Hermann-Mauguin space group symbol | R -3 c :H |
Hall space group symbol | -R 3 2"c |
Residual factor for all reflections | 0.0856 |
Residual factor for significantly intense reflections | 0.0544 |
Weighted residual factors for significantly intense reflections | 0.1314 |
Weighted residual factors for all reflections included in the refinement | 0.1471 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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