Information card for entry 4308725

Structure parameters

• Common name: Sr80z
• Formula: C38 H48 N4 Ni O3
• Calculated formula: C38 H48 N4 Ni O3
• SMILES: [Ni]123N4C(=O)C(=C(C4=Cc4[n]1c(c(c4CC)CC)=Cc1n2c(c(c1CC)CC)C=c1[n]3c(c(c1CC)CC)C(=O)OCC)CC)CC
• Title of publication: Metal Complexes of meso-Amino-octaethylporphyrin and the Oxidation of NiII(meso-amino-octaethylporphyrin)
• Authors of publication: Natasza Sprutta; Sankar Prasad Rath; Marilyn M. Olmstead; Alan L. Balch
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 1452 - 1459
• a: 17.447 ± 0.006 Å
• b: 14.066 ± 0.005 Å
• c: 29.452 ± 0.01 Å
• α: 90°
• β: 105.648 ± 0.006°
• γ: 90°
• Cell volume: 6960 ± 4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• 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: 0.0846
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1648
• Weighted residual factors for all reflections included in the refinement: 0.1805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No