Information card for entry 7008660

Structure parameters

• Formula: C30.5 H30 Cd3 N10 O3.5
• Calculated formula: C30.5 H26 Cd3 N10 O2.5
• Title of publication: Crystal structures and spectroscopic properties of polycyano-polycadmate host clathrates including a CT complex guest of methylviologen dication and aromatic donor.
• Authors of publication: Yoshikawa, Hirofumi; Nishikiori, Shin-ichi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 18
• Pages of publication: 3056 - 3064
• a: 15.1715 ± 0.0005 Å
• b: 16.6564 ± 0.0004 Å
• c: 29.3251 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7410.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n a n
• Hall space group symbol: -P 2n 2bc
• Residual factor for all reflections: 0.1025
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 0.786
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No