Information card for entry 7011921

Structure parameters

• Formula: C12 H45 As7 N6 O29 Zn6
• Calculated formula: C12 H43 As7 N6 O29 Zn6
• Title of publication: Hydrothermal synthesis and structure of a zinc arsenate‒oxalate, [NH3(CH2)3NH2(CH2)3NH3][Zn3(AsO4)(HAsO4)2(C2O4)], and a zinc arsenate, [{NH3(CH3)2NH2(CH3)3NH3}2][Zn6(AsO4)4(HAsO4)3]·H2O, with three-dimensional structures
• Authors of publication: Chakrabarti, Sandip; Natarajan, Srinivasan
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 22
• Pages of publication: 4156
• a: 9.1724 ± 0.0004 Å
• b: 9.2118 ± 0.0004 Å
• c: 25.7459 ± 0.0011 Å
• α: 87.265 ± 0.001°
• β: 86.477 ± 0.001°
• γ: 71.27 ± 0.001°
• Cell volume: 2055.38 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No