Information card for entry 4077757

Structure parameters

• Formula: C47 H58 Cr2 O9 P2
• Calculated formula: C47 H58 Cr2 O9 P2
• SMILES: [Cr]1([P](=C(P1[Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)C1CC(c2c1c(cc(c2)C(C)(C)C)C(C)(C)C)(C)C)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: An Approach to Novel Complexes with a Tungsten−Phosphorus Triple Bond†
• Authors of publication: Scheer, Manfred; Kramkowski, Peter; Schuster, Kay
• Journal of publication: Organometallics
• Year of publication: 1999
• Journal volume: 18
• Journal issue: 15
• Pages of publication: 2874
• a: 10.6961 ± 0.0008 Å
• b: 12.5573 ± 0.0008 Å
• c: 19.3285 ± 0.001 Å
• α: 105.931 ± 0.005°
• β: 98.744 ± 0.005°
• γ: 91.686 ± 0.007°
• Cell volume: 2460.4 ± 0.3 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 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: 0.0807
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for all reflections: 0.1198
• Weighted residual factors for significantly intense reflections: 0.1036
• Goodness-of-fit parameter for all reflections: 1.017
• Goodness-of-fit parameter for significantly intense reflections: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No