Information card for entry 2206695

Structure parameters

• Chemical name: catena-poly[[bis(1,10-phenanthroline)cadmium(II)]-μ-tetraoxomolybdato]
• Formula: C24 H18 Cd Mo N4 O5
• Calculated formula: C24 H18 Cd Mo N4 O5
• SMILES: [Cd]12(O[Mo](=O)(=O)O[Cd]34(O[Mo](=O)(=O)[O-])([n]5cccc6ccc7ccc[n]3c7c56)[n]3cccc5ccc6ccc[n]4c6c35)([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13.O.O
• Title of publication: [Cd(phen)~2~{MoO~4~}]·H~2~O, a one-dimensional coordination polymer with bridging molybdate groups
• Authors of publication: Xiuli Bai; Ying Lu; Enbo Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: m1840 - m1842
• a: 13.901 ± 0.003 Å
• b: 15.37 ± 0.003 Å
• c: 10.742 ± 0.002 Å
• α: 90°
• β: 101.61 ± 0.03°
• γ: 90°
• Cell volume: 2248.2 ± 0.8 ų
• Cell temperature: 283 ± 2 K
• Ambient diffraction temperature: 283 ± 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: 0.0498
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes