Information card for entry 7708129

Structure parameters

• Formula: C23 H28 Br F6 N4 Os P
• Calculated formula: C23 H28 Br F6 N4 Os P
• SMILES: [Os]123456(Br)([n]7ccccc7N=[N]1c1ccc(cc1)N(C)C)[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: NMR studies of group 8 metallodrugs: ¹⁸⁷Os-enriched organo-osmium half-sandwich anticancer complex.
• Authors of publication: Needham, Russell J.; Prokes, Ivan; Habtemariam, Abraha; Romero-Canelón, Isolda; Clarkson, Guy J.; Sadler, Peter J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 37
• Pages of publication: 12970 - 12981
• a: 8.3437 ± 0.0002 Å
• b: 12.5387 ± 0.0004 Å
• c: 12.6785 ± 0.0003 Å
• α: 85.454 ± 0.003°
• β: 79.477 ± 0.002°
• γ: 82.453 ± 0.003°
• Cell volume: 1290.73 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0348
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No