Information card for entry 4001284

Structure parameters

• Formula: C191.26 H120 Mo6 N8 O19.5
• Calculated formula: C191.194 H120 Mo5.9996 N8 O19.6102
• SMILES: c12c(c(c3=C(c4c(c(c5n4[Mo]4([n]13)([n]1c(=C5c3ccccc3)c(c(c1C(=c1n4c(c(c1c1ccccc1)c1ccccc1)=C2c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(=O)[OH2])c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.O1[Mo]23(O[Mo](O[Mo]1(=O)(O2)(O[Mo](O3)(=O)=O)=O)(=O)=O)(=O)=O.c1(ccccc1C)C.O.c1ccccc1C1=c2n3[Mo]45(n6c(c(c(c6C(=c6c(c(c([n]46)C(=c3c(c2c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)C(c2ccccc2)=c2[n]5c1c(c1ccccc1)c2c1ccccc1)(=O)[OH2].O
• Title of publication: Porphyrin Nanotubes Based on Self-Assembly of Mo(V)−Dodecaphenylporphyrin Complexes and Inclusion of Mo−Oxo Clusters: Synthesis and Characterization by X-ray Crystallography and Transmission Electron Microscopy
• Authors of publication: Kojima, Takahiko; Harada, Ryosuke; Nakanishi, Tatsuaki; Kaneko, Kenji; Fukuzumi, Shunichi
• Journal of publication: Chemistry of Materials
• Year of publication: 2007
• Journal volume: 19
• Journal issue: 1
• Pages of publication: 51
• a: 21.496 ± 0.004 Å
• b: 30.23 ± 0.006 Å
• c: 25.858 ± 0.005 Å
• α: 90°
• β: 104.85 ± 0.03°
• γ: 90°
• Cell volume: 16242 ± 6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No