Information card for entry 7000855

Structure parameters

• Formula: C52 H46 N6 O16 P2 Zn4
• Calculated formula: C52 H48 N6 O16 P2 Zn4
• Title of publication: Metal‒organophosphine and metal‒organophosphonium frameworks with layered honeycomb-like structures
• Authors of publication: Humphrey, Simon M.; Allan, Phoebe K.; Oungoulian, Shaunt E.; Ironside, Matthew S.; Wise, Erica R.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 13
• Pages of publication: 2298 - 2305
• a: 11.4898 ± 0.0003 Å
• b: 14.5201 ± 0.0005 Å
• c: 24.1655 ± 0.0009 Å
• α: 90°
• β: 94.3513 ± 0.0009°
• γ: 90°
• Cell volume: 4020 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.1585
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.1838
• Weighted residual factors for all reflections included in the refinement: 0.2162
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No