Information card for entry 7238604

Structure parameters

• Formula: C51 H61 K2 N4 O30 Zn4
• Calculated formula: C51 H61 K2 N4 O30 Zn4
• Title of publication: Diversity of carboxylate binding in a new tetranuclear zinc cluster: correlation between spectroscopic investigations and carboxylate binding modes
• Authors of publication: Patra, Ayan; Sen, Tamal K.; Bhattacharyya, Rangeet; Mandal, Swadhin K.; Bera, Manindranath
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 5
• Pages of publication: 1774
• a: 12.4598 ± 0.0013 Å
• b: 20.593 ± 0.002 Å
• c: 27.475 ± 0.003 Å
• α: 90°
• β: 81.456 ± 0.007°
• γ: 90°
• Cell volume: 6971.4 ± 1.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1584
• Residual factor for significantly intense reflections: 0.0966
• Weighted residual factors for significantly intense reflections: 0.2582
• Weighted residual factors for all reflections included in the refinement: 0.3016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No