Information card for entry 7003288

Structure parameters

• Common name: Chisholm 1328
• Formula: C20 H40 Mo2 N4 O4
• Calculated formula: C20 H40 Mo2 N4 O4
• SMILES: C(C)(C)N1[Mo]234[N](C(C)C)=C(C)N(C(C)C)[Mo]4([N](=C1C)C(C)C)([O]=C(O3)C)OC(=[O]2)C
• 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: 8.3023 ± 0.001 Å
• b: 9.0596 ± 0.001 Å
• c: 9.5252 ± 0.001 Å
• α: 68.84 ± 0.004°
• β: 77.08 ± 0.004°
• γ: 65.805 ± 0.005°
• Cell volume: 607.03 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.018
• Residual factor for significantly intense reflections: 0.0169
• Weighted residual factors for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections included in the refinement: 0.0436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No