Information card for entry 4323605

Structure parameters

• Chemical name: tri-μ-carbonyl-hexakis-trimethylphosphane-triangulo-tricobalt
• Formula: C21 H54 Co3 O3 P6
• Calculated formula: C21 H54 Co3 O3 P6
• SMILES: [P](C)(C)([Co]123(C(=O)[Co]43(C(=O)[Co]24(C1=O)([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: 10.678 ± 0.001 Å
• b: 10.678 ± 0.001 Å
• c: 52.298 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5164.1 ± 1.3 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: 0.031
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for all reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.0494
• Goodness-of-fit parameter for all reflections: 1.084
• Goodness-of-fit parameter for significantly intense reflections: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No