Information card for entry 7232917

Structure parameters

• Formula: C35 H70 Mo N20 Ni3 O5
• Calculated formula: C35 H60 Mo N20 Ni3 O5
• 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: 14.3162 ± 0.0006 Å
• b: 14.8325 ± 0.0006 Å
• c: 23.1021 ± 0.001 Å
• α: 90°
• β: 93.539 ± 0.002°
• γ: 90°
• Cell volume: 4896.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0493
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No