Information card for entry 7108388

Structure parameters

• Chemical name: poly-[[dekakis(mu-imidazolato-KN:KN')pentacobalt(II)]-water-4-methylpyridine (1/8/1)
• Formula: C36 H53 Co5 N21 O8
• Calculated formula: C30 H30 Co5 N20
• Title of publication: A direct reaction approach for the synthesis of zeolitic imidazolate frameworks: template and temperature mediated control on network topology and crystal size
• Authors of publication: Monica Lanchas; Daniel Vallejo-Sanchez; Garikoitz Beobide; Oscar Castillo; Andres T. Aguayo; Antonio Luque; Pascual Roman
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 9930
• a: 24.3302 ± 0.0011 Å
• b: 9.5623 ± 0.0005 Å
• c: 24.6111 ± 0.0016 Å
• α: 90°
• β: 91.542 ± 0.005°
• γ: 90°
• Cell volume: 5723.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1221
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 0.754
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No