Information card for entry 7056058

Structure parameters

• Formula: C63 H48 Cl3 Hf N14 Ni O7
• Calculated formula: C63 H48 Cl3 Hf N14 Ni O7
• Title of publication: Synthesis, X-ray structure and electrochemical properties of hybrid binuclear metallophthalocyaninate-capped tris-pyridineoximates
• Authors of publication: Dudkin, Semyon V.; Belov, Alexander S.; Nelyubina, Yulia V.; Savchuk, Anastasia V.; Pavlov, Alexander A.; Novikov, Valentin V.; Voloshin, Yan Z.
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 9
• Pages of publication: 3251
• a: 16.714 ± 0.002 Å
• b: 19.114 ± 0.002 Å
• c: 19.356 ± 0.003 Å
• α: 90°
• β: 108.853 ± 0.003°
• γ: 90°
• Cell volume: 5851.9 ± 1.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No