Information card for entry 7041885

Structure parameters

• Formula: C63 H52 Cl4 N O4 P4 Re2
• Calculated formula: C63 H52 Cl4 N O4 P4 Re2
• Title of publication: The first examples of multiply bonded dirhenium(iii,ii) paramagnetic complexes containing nitrobenzoate ligands: spectroscopic, structural, cytotoxicity and computational studies.
• Authors of publication: Mallick, Suman; Ghosh, Mrinal Kanti; Mandal, Suman; Rane, Vinayak; Kadam, Ramakant; Chatterjee, Annesha; Bhattacharyya, Arindam; Chattopadhyay, Swarup
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 5670 - 5679
• a: 18.327 ± 0.003 Å
• b: 12.58 ± 0.002 Å
• c: 25.84 ± 0.005 Å
• α: 90°
• β: 90.809 ± 0.004°
• γ: 90°
• Cell volume: 5956.9 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0658
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No