Information card for entry 7119784

Structure parameters

• Formula: C23 H23 Cl2 N8 O9.5 Ru2
• Calculated formula: C23 H23 Cl2 N8 O9.5 Ru2
• Title of publication: Efficient conversion of alkenes to chlorohydrins by a Ru-based artificial enzyme.
• Authors of publication: Lopez, Sarah; Rondot, Laurianne; Cavazza, Christine; Iannello, Marina; Boeri-Erba, Elisabetta; Burzlaff, Nicolai; Strinitz, Frank; Jorge-Robin, Adeline; Marchi-Delapierre, Caroline; Ménage, Stéphane
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 25
• Pages of publication: 3579 - 3582
• a: 16.3947 ± 0.0016 Å
• b: 14.8749 ± 0.001 Å
• c: 26.532 ± 0.004 Å
• α: 90°
• β: 92.863 ± 0.013°
• γ: 90°
• Cell volume: 6462.3 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.2055
• Weighted residual factors for all reflections included in the refinement: 0.2252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.361
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No