Information card for entry 7033803

Structure parameters

• Formula: C16 H36 Cl N6 O8 Rh
• Calculated formula: C16 H36 Cl N6 O8 Rh
• Title of publication: UV-visible spectroscopy of macrocyclic alkyl, nitrosyl and halide complexes of cobalt and rhodium. Experiment and calculation.
• Authors of publication: Hull, Emily A.; West, Aaron C.; Pestovsky, Oleg; Kristian, Kathleen E.; Ellern, Arkady; Dunne, James F.; Carraher, Jack M.; Bakac, Andreja; Windus, Theresa L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 8
• Pages of publication: 3811 - 3816
• a: 6.5412 ± 0.0007 Å
• b: 9.4943 ± 0.0011 Å
• c: 10.1892 ± 0.0012 Å
• α: 68.605 ± 0.001°
• β: 75.638 ± 0.001°
• γ: 83.364 ± 0.002°
• Cell volume: 570.55 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0314
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No