Information card for entry 7701923

Structure parameters

• Formula: C21 H31 Cl N2 O2 Ru S
• Calculated formula: C21 H31 Cl N2 O2 Ru S
• Title of publication: Effect of sulfonamidoethylenediamine substituents in Ru^II arene anticancer catalysts on transfer hydrogenation of coenzyme NAD⁺ by formate.
• Authors of publication: Chen, Feng; Soldevila-Barreda, Joan J; Romero-Canelón, Isolda; Coverdale, James P. C.; Song, Ji-Inn; Clarkson, Guy J.; Kasparkova, Jana; Habtemariam, Abraha; Brabec, Viktor; Wolny, Juliusz A.; Schünemann, Volker; Sadler, Peter J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 21
• Pages of publication: 7178 - 7189
• a: 13.88136 ± 0.00009 Å
• b: 10.43716 ± 0.00008 Å
• c: 15.24599 ± 0.00011 Å
• α: 90°
• β: 102.127 ± 0.0007°
• γ: 90°
• Cell volume: 2159.57 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No