Information card for entry 4310764

Structure parameters

• Chemical name: (CoCp2)[MoO(3,6-DBCat)2] 1/2CH2Cl2 1/2CH3CN
• Formula: C39.5 H52.5 Cl Co Mo N0.5 O5
• Calculated formula: C39.5 H50 Cl Co Mo N0.5 O5
• Title of publication: Coordination Complexes of Molybdenum with 3,6-Di-tert-butylcatechol. Addition Products of DMSO, Pyridine N-oxide, and Triphenylarsine Oxide to the Putative [MoVIO(3,6-DBCat)2] Monomer and Self-Assembly of the Chiral [{MoVIO(3,6-DBCat)2}4] Square
• Authors of publication: Cai-Ming Liu; Ebbe Nordlander; Derek Schmeh; Richard Shoemaker; Cortlandt G. Pierpont
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2114 - 2124
• a: 13.0347 ± 0.0002 Å
• b: 15.1104 ± 0.0002 Å
• c: 20.1387 ± 0.0001 Å
• α: 90°
• β: 105.801 ± 0.001°
• γ: 90°
• Cell volume: 3816.63 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 138 ± 2 K
• Number of distinct elements: 7
• 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: 0.0543
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections: 0.115
• Weighted residual factors for significantly intense reflections: 0.1063
• Goodness-of-fit parameter for all reflections: 1.031
• Goodness-of-fit parameter for significantly intense reflections: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No