Information card for entry 4340785

Structure parameters

• Formula: C72 H84 N12 O16 P4 Zn4
• Calculated formula: C72 H84 N12 O16 P4 Zn4
• Title of publication: Ab initio chemical synthesis of designer metal phosphate frameworks at ambient conditions.
• Authors of publication: Kalita, Alok Ch; Gogoi, Nayanmoni; Jangir, Ritambhara; Kuppuswamy, Subramaniam; Walawalkar, Mrinalini G.; Murugavel, Ramaswamy
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 8959 - 8969
• a: 17.9799 ± 0.0015 Å
• b: 17.9799 ± 0.0015 Å
• c: 30.999 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10021.3 ± 1.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 126
• Hermann-Mauguin space group symbol: P 4/n n c :2
• Hall space group symbol: -P 4a 2bc
• Residual factor for all reflections: 0.1019
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1883
• Weighted residual factors for all reflections included in the refinement: 0.2167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No