Information card for entry 4340640

Structure parameters

• Formula: C51.97 H55.15 N4 Ni0.5 O3.15
• Calculated formula: C51.972 H55.144 N4 Ni0.5 O3.15
• Title of publication: Selective Synthesis and Redox Sequence of a Heterobimetallic Nickel/Copper Complex of the Noninnocent Siamese-Twin Porphyrin.
• Authors of publication: Blusch, Lina K.; Mitevski, Oliver; Martin-Diaconescu, Vlad; Pröpper, Kevin; DeBeer, Serena; Dechert, Sebastian; Meyer, Franc
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 15
• Pages of publication: 7876
• a: 14.9415 ± 0.0004 Å
• b: 17.0016 ± 0.0004 Å
• c: 19.0343 ± 0.0005 Å
• α: 98.112 ± 0.001°
• β: 96.895 ± 0.001°
• γ: 109.745 ± 0.001°
• Cell volume: 4431.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0657
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No