Information card for entry 2202920

Structure parameters

• Formula: C28 H30 Cd N4 O10
• Calculated formula: C28 H30 Cd N4 O10
• SMILES: C(=C\C(=O)[O-])/C(=O)[O-].[n]12[Cd]3([n]4cccc5c4c4[n]3cccc4cc5)([OH2])([OH2])[n]3c4c2c(ccc1)ccc4ccc3.O.O.O.O
• Title of publication: An aquacadmium(II) complex of 1,10-phenanthroline with a fumarate counter-ion
• Authors of publication: Jin Yang; Jian-Fang Ma; Li Li; Jing-Fu Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: m568 - m570
• a: 10.619 ± 0.002 Å
• b: 10.63 ± 0.002 Å
• c: 13.586 ± 0.003 Å
• α: 95.19 ± 0.03°
• β: 95.56 ± 0.03°
• γ: 104.94 ± 0.03°
• Cell volume: 1464.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes