Information card for entry 4347256

Structure parameters

• Formula: C36 H40 Br2 N2 O11 P2 Zn2
• Calculated formula: C36 H40 Br2 N2 O11 P2 Zn2
• Title of publication: Dimensionality Alteration and Intra- versus Inter-SBU Void Encapsulation in Zinc Phosphate Frameworks.
• Authors of publication: Dar, Aijaz A.; Bhat, Gulzar A.; Murugavel, Ramaswamy
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 5180 - 5190
• a: 15.7636 ± 0.0017 Å
• b: 15.7636 ± 0.0017 Å
• c: 36.843 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9155.2 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No