Information card for entry 7016886

Structure parameters

• Formula: C23 H18 Br Cl F6 N3 Os P
• Calculated formula: C23 H18 Br Cl F6 N3 Os P
• SMILES: [Os]123456(Cl)([n]7cc(Br)ccc7N=[N]1c1ccccc1)[cH]1[c]6([cH]5[cH]4[cH]3[cH]21)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Structure-activity relationships for organometallic osmium arene phenylazopyridine complexes with potent anticancer activity.
• Authors of publication: Fu, Ying; Habtemariam, Abraha; Basri, Aida M. B. H.; Braddick, Darren; Clarkson, Guy J.; Sadler, Peter J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 40
• Pages of publication: 10553 - 10562
• a: 8.8866 ± 0.0005 Å
• b: 10.0428 ± 0.0004 Å
• c: 14.1695 ± 0.0007 Å
• α: 103.452 ± 0.004°
• β: 94.374 ± 0.004°
• γ: 100.802 ± 0.004°
• Cell volume: 1198.54 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0314
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No