Information card for entry 4318174

Structure parameters

• Common name: (Dipyridophenazine)(tris(3-phenylpyrazolyl)borate)copper(II) perchlorate
• Formula: C45 H32 B Cl Cu N10 O4
• Calculated formula: C45 H32 B Cl Cu N10 O4
• SMILES: [Cu]123([n]4n(ccc4c4ccccc4)[BH](n4[n]1c(cc4)c1ccccc1)n1[n]2c(cc1)c1ccccc1)[n]1cccc2c4nc5ccccc5nc4c4ccc[n]3c4c12.Cl(=O)(=O)(=O)[O-]
• Title of publication: Effect of Steric Encumbrance of Tris(3-phenylpyrazolyl)borate on the Structure and Properties of Ternary Copper(II) Complexes Having N,N-Donor Heterocyclic Bases
• Authors of publication: Shanta Dhar; Pattubala A. N. Reddy; Munirathinam Nethaji; Subramony Mahadevan; Manas K. Saha; Akhil R. Chakravarty
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3469 - 3476
• a: 12.661 ± 0.005 Å
• b: 16.017 ± 0.004 Å
• c: 20.078 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4072 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No