Information card for entry 7024458

Structure parameters

• Formula: C30 H19 Cl F6 N9 O P V
• Calculated formula: C30 H16 Cl F6 N9 O P V
• SMILES: [V]12(Cl)(=O)([n]3cccc4c5nccnc5c5ccc[n]1c5c34)[n]1cccc3c4nccnc4c4ccc[n]2c4c13.[P](F)(F)(F)(F)(F)[F-].N#CC
• Title of publication: Oxovanadium(IV) complexes of phenanthroline bases: the dipyridophenazine complex as a near-IR photocytotoxic agent.
• Authors of publication: Sasmal, Pijus K.; Saha, Sounik; Majumdar, Ritankar; De, Swati; Dighe, Rajan R.; Chakravarty, Akhil R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 8
• Pages of publication: 2147 - 2158
• a: 11.087 ± 0.007 Å
• b: 12.192 ± 0.007 Å
• c: 12.471 ± 0.008 Å
• α: 68.222 ± 0.009°
• β: 81.92 ± 0.01°
• γ: 87.459 ± 0.01°
• Cell volume: 1549.8 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1475
• Residual factor for significantly intense reflections: 0.0934
• Weighted residual factors for significantly intense reflections: 0.254
• Weighted residual factors for all reflections included in the refinement: 0.2896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No