Information card for entry 4340877

Structure parameters

• Formula: C58 H48 Cl2 N8 O12 Ru2
• Calculated formula: C58 H48 Cl2 N8 O12 Ru2
• SMILES: [Ru]123(n4c5c6n1c1c(c6N([Ru]67(OC(=CC(=[O]6)C)C)([O]=C(C)C=C(O7)C)N(c5c5c4cccc5)c4ccccc4)c4ccccc4)cccc1)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Uncommon cis Configuration of a Metal-Metal Bridging Noninnocent Nindigo Ligand.
• Authors of publication: Mondal, Prasenjit; Plebst, Sebastian; Ray, Ritwika; Mobin, Shaikh M.; Kaim, Wolfgang; Lahiri, Goutam Kumar
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 9348 - 9356
• a: 9.5175 ± 0.0004 Å
• b: 25.1198 ± 0.0014 Å
• c: 27.499 ± 0.0011 Å
• α: 90°
• β: 95.044 ± 0.004°
• γ: 90°
• Cell volume: 6548.9 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1485
• Residual factor for significantly intense reflections: 0.0921
• Weighted residual factors for significantly intense reflections: 0.2451
• Weighted residual factors for all reflections included in the refinement: 0.2818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No