Information card for entry 4323606

Structure parameters

• Chemical name: tri-μ-carbonyl-di-μ-hydrido-hydrido-hexakis-trimethylphosphane-triangulo- tricobalt
• Formula: C21 H57 Co3 O3 P6
• Calculated formula: C21 H56 Co3 O3 P6
• SMILES: [P](C)(C)([Co]12345([H]6[Co]784(C2=O)(C(=O)[Co]568(C1=O)([H]37)([P](C)(C)C)[P](C)(C)C)([P](C)(C)C)[P](C)(C)C)[P](C)(C)C)C
• Title of publication: Synthesis, Structure, and Magnetic Properties of Low-Valent Triangulo Cobalt-Hydride Clusters [XCo~3~(μ-CO)~3~(PMe~3~)~6~]
• Authors of publication: Hans-Friedrich Klein; Michael Mager; Andreas Schmidt; Martina Hüber; Wolfgang Haase; Ulrich Flörke; Hans-Jürgen Haupt; Roman Boca
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 4303 - 4306
• a: 10.679 ± 0.002 Å
• b: 10.679 ± 0.002 Å
• c: 52.729 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5207.6 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for all reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.0533
• Goodness-of-fit parameter for all reflections: 1.046
• Goodness-of-fit parameter for significantly intense reflections: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No