Information card for entry 7021778

Structure parameters

• Formula: C120 H153 Co2 N3 Na2 O21
• Calculated formula: C120 H153 Co2 N3 Na2 O21
• Title of publication: A new type of paddle-wheel coordination complex.
• Authors of publication: Barrios, Leoní A; Borilovic, Ivana; Salinas Uber, Jorge; Aguilà, David; Roubeau, Olivier; Aromí, Guillem
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 34
• Pages of publication: 12185 - 12192
• a: 17.7486 ± 0.0004 Å
• b: 17.7486 ± 0.0004 Å
• c: 19.9938 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5454.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1586
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No