Information card for entry 7012589

Structure parameters

• Formula: C103 H84 Cl4 Mn N18 Ni3 O9.5
• Calculated formula: C103 H84 Cl4 Mn N18 Ni3 O9.5
• Title of publication: Supramolecular assembly of linear trinickel complexes incorporating metalloporphyrins: a novel one-dimensional polymer and oligomer
• Authors of publication: Tsao, Ting-Bin; Lee, Gene-Hsiang; Yeh, Chen-Yu; Peng, Shie-Ming
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 8
• Pages of publication: 1465
• a: 21.3217 ± 0.0002 Å
• b: 24.9858 ± 0.0002 Å
• c: 18.0492 ± 0.0002 Å
• α: 90°
• β: 99.3679 ± 0.0005°
• γ: 90°
• Cell volume: 9487.29 ± 0.16 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0929
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No