Information card for entry 4319737

Structure parameters

• Formula: C69 H36 Cl2 Fe4 O12 Ru4
• Calculated formula: C69 H36 Cl2 Fe4 O12 Ru4
• Title of publication: New Route to Dehydroannulenes by Coupling Linear Polyynes Using Ruthenium Carbonyl
• Authors of publication: Richard D. Adams; Bo Qu; Mark D. Smith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2932 - 2934
• a: 21.222 ± 0.004 Å
• b: 10.121 ± 0.002 Å
• c: 31.938 ± 0.007 Å
• α: 90°
• β: 107.262 ± 0.004°
• γ: 90°
• Cell volume: 6551 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.121
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No