Information card for entry 4321809

Structure parameters

• Formula: C88.66 H57.66 Cl1.98 N9 O Ru
• Calculated formula: C88 H57 N9 O Ru
• SMILES: [Ru]123(C#[O])(n4c5=C(C6=[N]3C(=C(c3n2c(C(=C2[N]1=C(C(=c4cc5)c1ccccc1)C=C2)c1ccccc1)cc3)c1ccccc1)C=C6)c1ccccc1)[n]1cccc(C2=c3[nH]c(=C(C4=NC(=C(c5[nH]c(cc5)C(=C5N=C2C=C5)c2ccccc2)c2ccccc2)C=C4)c2ccccc2)cc3)c1
• Title of publication: Solution and Solid State Structure of a Canted, Side-to-Face, Bis(porphyrin) Adduct
• Authors of publication: Enzo Alessio; Silvano Geremia; Stefano Mestroni; Elisabetta Iengo; Ivana Srnova; Miroslav Slouf
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 869 - 875
• a: 13.268 ± 0.001 Å
• b: 29.472 ± 0.001 Å
• c: 18.765 ± 0.001 Å
• α: 90°
• β: 95.93°
• γ: 90°
• Cell volume: 7298.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No