Information card for entry 7016882

Structure parameters

• Formula: C21 H22 Br F6 I N3 Os P
• Calculated formula: C21 H22 Br F6 I N3 Os P
• SMILES: [Os]123456(I)([n]7cc(Br)ccc7N=[N]1c1ccccc1)[cH]1[cH]2[c]3([cH]4[cH]5[c]61C(C)C)C.[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: 7.8035 ± 0.0003 Å
• b: 11.963 ± 0.0005 Å
• c: 13.6394 ± 0.0006 Å
• α: 100.216 ± 0.004°
• β: 102.863 ± 0.004°
• γ: 90.779 ± 0.003°
• Cell volume: 1219.78 ± 0.09 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: 0.032
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No