Information card for entry 2227093

Structure parameters

• Chemical name: [2-(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)-1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>']bis(nitrito-κ^2^<i>O</i>,<i>O</i>')cadmium(II)
• Formula: C17 H14 Cd N6 O4
• Calculated formula: C17 H14 Cd N6 O4
• SMILES: c1ccc2c3c4c(cc2)ccc2[n]4[Cd]45([n]13)([n]1c(cc(C)n21)C)([O]=NO4)[O]=NO5
• Title of publication: [2-(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>']bis(nitrito-κ^2^<i>O</i>,<i>O</i>')cadmium(II)
• Authors of publication: Shi, Jing Min; Meng, Lin; Wang, Yu Qing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m878
• a: 10.0306 ± 0.0015 Å
• b: 10.4694 ± 0.0015 Å
• c: 10.5702 ± 0.0015 Å
• α: 67.697 ± 0.002°
• β: 83.508 ± 0.002°
• γ: 62.326 ± 0.002°
• Cell volume: 906.8 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0339
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes