Information card for entry 4340782

Structure parameters

• Formula: C134 H184 N6 O36 P8 S4 Zn8
• Calculated formula: C134 H184 N6 O36 P8 S4 Zn8
• 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: 18.846 ± 0.003 Å
• b: 25.339 ± 0.004 Å
• c: 17.39 ± 0.003 Å
• α: 90°
• β: 102.082 ± 0.002°
• γ: 90°
• Cell volume: 8120 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1834
• Weighted residual factors for all reflections included in the refinement: 0.1877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No