Information card for entry 8102446

Structure parameters

• Chemical name: Bis(diaqua-bis(1,10-phenanthroline)-zinc(ii))hexaaqua-zinc(ii) bis(1,3,5-benzenetricarboxyalte) hydrate
• Formula: C66 H97 N8 O41.5 Zn3
• Calculated formula: C66 H94 N8 O41.5 Zn3
• Title of publication: Crystal structure of bis(diaqua-bis(1,10-phenanthroline)zinc(II)) hexaaquazinc(II) bis(1,3,5-benzenetricarboxylate) hydrate, [Zn(H2O)2(C12H8N2)2]2[Zn(H2O)6](C9H3O6)2 · 19.5H2O
• Authors of publication: Zhaoxun Lian; Ning Zhao; Jiamin Zhang; Yongqing Gu; Xiabo Li; Bo Tang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 3
• Pages of publication: 399
• a: 12.7624 ± 0.0016 Å
• b: 18.957 ± 0.002 Å
• c: 18.057 ± 0.002 Å
• α: 90°
• β: 90.05°
• γ: 90°
• Cell volume: 4368.7 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0848
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.2023
• Weighted residual factors for all reflections included in the refinement: 0.2228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No