Information card for entry 7022175

Structure parameters

• Formula: C44 H31.5 O19.5 Zn4
• Calculated formula: C44 H28 O19.5 Zn4
• Title of publication: Syntheses, structures, photoluminescence, photocatalysis, and photoelectronic effects of 3D mixed high-connected metal-organic frameworks based on octanuclear and dodecanuclear secondary building units.
• Authors of publication: Du, Peng; Yang, Yan; Yang, Jin; Liu, Bing-Kun; Ma, Jian-Fang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 5
• Pages of publication: 1567 - 1580
• a: 10.155 ± 0.005 Å
• b: 14.998 ± 0.005 Å
• c: 15.195 ± 0.005 Å
• α: 101.232 ± 0.005°
• β: 98.832 ± 0.005°
• γ: 102.174 ± 0.005°
• Cell volume: 2172.7 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No