Information card for entry 7003291

Structure parameters

• Formula: C58 H84 Fe2 Mo2 N4 O8
• Calculated formula: C58 H84 Fe2 Mo2 N4 O8
• Title of publication: Amidinate‒carboxylate complexes of dimolybdenum and ditungsten: M2(O2CR)2((NiPr)2CR′)2. Preparations, molecular and electronic structures and reactions
• Authors of publication: Brown, Douglas J.; Chisholm, Malcolm H.; Gallucci, Judith C.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 12
• Pages of publication: 1615 - 1624
• a: 11.1354 ± 0.0001 Å
• b: 11.8625 ± 0.0001 Å
• c: 12.3209 ± 0.0001 Å
• α: 67.157 ± 0.001°
• β: 78.161 ± 0.001°
• γ: 85.503 ± 0.001°
• Cell volume: 1467.96 ± 0.02 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No