Information card for entry 7025402

Structure parameters

• Formula: C45 H26 Cr F9 N8 O9 S3
• Calculated formula: C45 H26 Cr F9 N8 O9 S3
• SMILES: [Cr]123([n]4cccc5c4c4[n]1cccc4cc5)([n]1cccc4ccc5ccc[n]2c5c14)[n]1c2c4[n]3cccc4c3nc4ccccc4nc3c2ccc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Substituted dipyridophenazine complexes of Cr(III): synthesis, enantiomeric resolution and binding interactions with calf thymus DNA.
• Authors of publication: Vasudevan, Suni; Smith, Jayden A.; Wojdyla, Michal; DiTrapani, A.; Kruger, P. E.; McCabe, Thomas; Fletcher, Nicholas C.; Quinn, Susan J.; Kelly, John M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 16
• Pages of publication: 3990 - 3998
• a: 10.331 ± 0.003 Å
• b: 13.214 ± 0.003 Å
• c: 19.073 ± 0.005 Å
• α: 72.494 ± 0.018°
• β: 74.473 ± 0.019°
• γ: 68.319 ± 0.015°
• Cell volume: 2271.2 ± 1.1 ų
• Cell temperature: 124 ± 2 K
• Ambient diffraction temperature: 124 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1069
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No