Information card for entry 7021795

Structure parameters

• Formula: C136.5 H122.5 B2 Co N9.5 O5.5
• Calculated formula: C136.5 H118.5 B2 Co N9.5 O5.5
• Title of publication: Spin crossover in Co(ii) metallorods - replacing aliphatic tails by aromatic.
• Authors of publication: Lee, Young Hoon; Won, Mi Seon; Harrowfield, Jack M.; Kawata, Satoshi; Hayami, Shinya; Kim, Yang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 32
• Pages of publication: 11507 - 11521
• a: 16.3925 ± 0.0004 Å
• b: 20.3627 ± 0.0004 Å
• c: 20.4063 ± 0.0004 Å
• α: 100.621 ± 0.001°
• β: 111.949 ± 0.001°
• γ: 106.731 ± 0.001°
• Cell volume: 5714.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.2259
• Weighted residual factors for all reflections included in the refinement: 0.2511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No