Information card for entry 4333377

Structure parameters

• Formula: C51 H58 Cl2 N4 O V
• Calculated formula: C51 H58 Cl2 N4 O V
• SMILES: c12c(c(c3=C(c4c(c(c5c6c(c(c7=C(c8c(c(c(C=C1)n8[V]([n]23)(n45)([n]67)=O)CC)CC)c1ccc(cc1)C)CC)CC)CC)CC)c1ccc(cc1)C)CC)CC.ClCCl
• Title of publication: New porphyrinoids: vanadyl(IV) complexes of meso-aryl-substituted corrphycene and 10-oxocorrole ligands.
• Authors of publication: Bröring, Martin; Hell, Christian; Brégier, Frédérique; Burghaus, Olaf; Tejero, Esther Cónsul
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 5477 - 5479
• a: 13.373 ± 0.002 Å
• b: 13.387 ± 0.002 Å
• c: 13.988 ± 0.002 Å
• α: 73.133 ± 0.002°
• β: 86.758 ± 0.003°
• γ: 68.991 ± 0.002°
• Cell volume: 2234 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1713
• Weighted residual factors for all reflections included in the refinement: 0.1761
• 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