Information card for entry 7232916

Structure parameters

• Formula: C46 H120 Li2 Mo2 N28 Ni3 O24
• Calculated formula: C46 H72 Li2 Mo2 N28 Ni3 O24
• Title of publication: A two-fold 3D interpenetrating cyanido-bridged network based on the octa-coordinated [Mo(CN)8]4- building block
• Authors of publication: Heczko, Michał; Sumińska, Ewa; Sieklucka, Barbara; Nowicka, Beata
• Journal of publication: CrystEngComm
• Year of publication: 2019
• a: 26.2434 ± 0.0011 Å
• b: 15.4516 ± 0.0007 Å
• c: 10.1165 ± 0.0004 Å
• α: 90°
• β: 95.018 ± 0.002°
• γ: 90°
• Cell volume: 4086.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0855
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.183
• Weighted residual factors for all reflections included in the refinement: 0.1885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No