Information card for entry 2013321

Structure parameters

• Chemical name: Dichlorotetrakis(3-phenylpyrazole-κN^2^)copper(II)
• Formula: C36 H32 Cl2 Cu N8
• Calculated formula: C36 H32 Cl2 Cu N8
• SMILES: [Cu](Cl)(Cl)([n]1ccc([nH]1)c1ccccc1)([n]1ccc([nH]1)c1ccccc1)([n]1ccc([nH]1)c1ccccc1)[n]1ccc([nH]1)c1ccccc1
• Title of publication: Dichlorotetrakis(3-phenylpyrazole-κ<i>N</i>^2^)copper(II)
• Authors of publication: Małecka, Magdalena; Chęcińska, Lilianna
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: m115 - m117
• a: 11.587 ± 0.004 Å
• b: 12.676 ± 0.003 Å
• c: 13.352 ± 0.003 Å
• α: 81.54 ± 0.02°
• β: 72.71 ± 0.02°
• γ: 68.29 ± 0.02°
• Cell volume: 1738.1 ± 0.9 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: 0.0557
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes