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Information card for entry 4116645
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Coordinates | 4116645.cif |
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Original paper (by DOI) | HTML |
Chemical name | Bis(trans-dichloro-bis(4-tert-butylpyridine))-di-molybdenum (II), D2-isomer, acetone solvate |
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Formula | C39 H58 Cl4 Mo2 N4 O |
Calculated formula | C39 H56.5 Cl4 Mo2 N4 O |
Title of publication | Mixed Chloride/Amine Complexes of Dimolybdenum(II,II). 5. Experimental and Theoretical Study of the Rotation Conformational Preferences of Mo2Cl4(R-py)4 (R-py = Substituted Pyridine) Molecules |
Authors of publication | F. Albert Cotton; Evgeny V. Dikarev; Jiande Gu; Santiago Herrero; Barbara Modec |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 1999 |
Journal volume | 121 |
Pages of publication | 11758 - 11761 |
a | 33.092 ± 0.001 Å |
b | 10.215 ± 0.0002 Å |
c | 28.944 ± 0.002 Å |
α | 90° |
β | 103.282 ± 0.003° |
γ | 90° |
Cell volume | 9522.4 ± 0.8 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0446 |
Residual factor for significantly intense reflections | 0.0401 |
Weighted residual factors for all reflections | 0.1103 |
Weighted residual factors for significantly intense reflections | 0.1028 |
Goodness-of-fit parameter for all reflections | 1.102 |
Goodness-of-fit parameter for significantly intense reflections | 1.092 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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