Information card for entry 7003290

Structure parameters

• Common name: Chisholm 1317
• Formula: C34 H44 N4 O4 W2
• Calculated formula: C34 H44 N4 O4 W2
• SMILES: C1(C)=[O][W]234[N](=C(C#Cc5ccccc5)N([W]4([N](=C(C#Cc4ccccc4)N2C(C)C)C(C)C)([O]=C(C)O3)O1)C(C)C)C(C)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: 8.279 ± 0.001 Å
• b: 9.371 ± 0.001 Å
• c: 12.082 ± 0.001 Å
• α: 75.741 ± 0.006°
• β: 71.498 ± 0.006°
• γ: 78.558 ± 0.005°
• Cell volume: 854.12 ± 0.16 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: 0.019
• Residual factor for significantly intense reflections: 0.0169
• Weighted residual factors for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections included in the refinement: 0.0404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No