Information card for entry 7003293

Structure parameters

• Common name: Chisholm1390
• Formula: C50 H60 Mo2 N4 O5
• Calculated formula: C50 H60 Mo2 N4 O5
• SMILES: [Mo]123([Mo]4([O]=C(O1)c1c5ccccc5cc5c1cccc5)(OC(=[O]2)c1c2ccccc2cc2c1cccc2)[N](C(C)C)=C(N4C(C)C)C)[N](C(C)C)=C(N3C(C)C)C.O1CCCC1
• 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: 21.482 ± 0.002 Å
• b: 9.609 ± 0.001 Å
• c: 22.527 ± 0.003 Å
• α: 90°
• β: 97.633 ± 0.004°
• γ: 90°
• Cell volume: 4608.8 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0968
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No