Information card for entry 4340783

Structure parameters

• Formula: C66 H92 N6 O19 P4 Zn4
• Calculated formula: C66 H92 N6 O19 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: 14.8623 ± 0.0003 Å
• b: 25.0146 ± 0.0004 Å
• c: 22.1798 ± 0.0006 Å
• α: 90°
• β: 109.026 ± 0.002°
• γ: 90°
• Cell volume: 7795.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1005
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No