Information card for entry 1551693

Structure parameters

• Formula: C42 H44 N6 O8 Rh2
• Calculated formula: C42.08 H44.16 N6 O8 Rh2
• Title of publication: Synthesis and Crystal Structure of a Chain Complex of Rhodium(II) Benzoate and 1,4-Diazabicyclo[2.2.2]octane Having an N2-Adsorption Property
• Authors of publication: MIKURIYA, Masahiro; YAMAMOTO, Junya; OUCHI, Kazuya; YOSHIOKA, Daisuke; TANAKA, Hidekazu; HANDA, Makoto
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2013
• Journal volume: 29
• Journal issue: 0
• Pages of publication: 45
• a: 21.3695 ± 0.0018 Å
• b: 21.3695 ± 0.0018 Å
• c: 9.6278 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4396.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No