Information card for entry 7110711

Structure parameters

• Formula: C82 H110 Li2 Mo4 N4 Ni O19
• Calculated formula: C82 H110 Li2 Mo4 N4 Ni O19
• SMILES: [Ni]123[N]45[C]67C([C]89[N]%103[C]3(C([C]%11%12=[CH]%13[CH]%14=[C]%15([N]2%11[Mo]%12%13%14%15(C#[O])(C#[O])C#[O][Li]([O]2CCCC2)([O]2CCCC2)[O]2CCCC2)C([C]2%11[N]%121[C]1(C([C]%134=[CH]4[CH]=6[Mo]57%134(C#[O])(C#[O])C#[O])(CC)CC)=[CH]4[CH]=2[Mo]%11%1214(C#[O])(C#[O])C#[O])(CC)CC)(CC)CC)=[CH]1[CH]=8[Mo]9%1031(C#[O])(C#[O])C#[O])(CC)CC.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.c1ccccc1
• Title of publication: Porphyrinogen tetraanion functioning as a polymetallic assembler: nickel-meso-octaethylporphyrinogen binding four transition metal ions at the periphery
• Authors of publication: Bonomo, Lucia; Solari, Euro; Martin, Géraldine; Scopelliti, Rosario; Floriani, Carlo
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 22
• Pages of publication: 2319
• a: 27.3 ± 0.006 Å
• b: 17.269 ± 0.002 Å
• c: 18.076 ± 0.002 Å
• α: 90°
• β: 96.17 ± 0.02°
• γ: 90°
• Cell volume: 8472 ± 2 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 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: 0.0547
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No