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Information card for entry 4080709
Preview
Coordinates | 4080709.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C72 H70 Mo N4 O |
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Calculated formula | C72 H70 Mo N4 O |
SMILES | [Mo](=CC(C)(C)c1ccccc1)(n1c(ccc1C)C)(=Nc1c(cccc1C(C)C)C(C)C)Oc1c(n2c(c3ccccc3)ccc2c2ccccc2)cccc1n1c(c2ccccc2)ccc1c1ccccc1.c1ccccc1 |
Title of publication | Monoaryloxide Pyrrolide (MAP) Imido Alkylidene Complexes of Molybdenum and Tungsten That Contain 2,6-Bis(2,5-R2-pyrrolyl)phenoxide (R = i-Pr, Ph) Ligands and an Unsubstituted Metallacyclobutane on Its Way to Losing Ethylene. |
Authors of publication | Reithofer, Michael R.; Dobereiner, Graham E.; Schrock, Richard R.; Müller, Peter |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 9 |
Pages of publication | 2489 - 2492 |
a | 12.2807 ± 0.0002 Å |
b | 20.2298 ± 0.0003 Å |
c | 23.4545 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5826.94 ± 0.15 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0274 |
Residual factor for significantly intense reflections | 0.0266 |
Weighted residual factors for significantly intense reflections | 0.0693 |
Weighted residual factors for all reflections included in the refinement | 0.07 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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