Information card for entry 2017623

Structure parameters

• Chemical name: Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II) bis(perchlorate) 3.5-hydrate
• Formula: C36 H31 Cd Cl2 N6 O11.5
• Calculated formula: C36 H31 Cd Cl2 N6 O11.5
• SMILES: [O-]Cl(=O)(=O)=O.O.O.O.O.c1ccc2ccc3ccc[n]4c3c2[n]1[Cd]124([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13.[O-]Cl(=O)(=O)=O
• Title of publication: Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II) bis(perchlorate) 3.5-hydrate: a water chain stabilized by perchlorate anions
• Authors of publication: Sun, Yu-Hui; Du, Zi-Yi; Zhang, Shi-Yong; He, Yan-Fang; Zhou, Zhong-Gao
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m104 - m106
• a: 28.1954 ± 0.0015 Å
• b: 19.6534 ± 0.0011 Å
• c: 15.7245 ± 0.0009 Å
• α: 90°
• β: 121.348 ± 0.001°
• γ: 90°
• Cell volume: 7441.5 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes