Information card for entry 7706011

Structure parameters

• Formula: C60 H46 Cl2 N8 O12 Ru2
• Calculated formula: C60 H46 Cl2 N8 O12 Ru2
• Title of publication: On the non-innocence and reactive versus non-reactive nature of α-diketones in a set of diruthenium frameworks.
• Authors of publication: Khan, Farheen Fatima; Mondal, Saikat; Chandra, Shubhadeep; Neuman, Nicolas I.; Sarkar, Biprajit; Lahiri, Goutam Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 3
• Pages of publication: 1106 - 1118
• a: 15.5752 ± 0.0006 Å
• b: 15.6427 ± 0.0005 Å
• c: 16.7119 ± 0.0007 Å
• α: 102.235 ± 0.003°
• β: 103.995 ± 0.003°
• γ: 115.029 ± 0.003°
• Cell volume: 3343.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.141
• Residual factor for significantly intense reflections: 0.0914
• Weighted residual factors for significantly intense reflections: 0.2169
• Weighted residual factors for all reflections included in the refinement: 0.2586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No