Information card for entry 7008661

Structure parameters

• Formula: C33 H30 Cd3 Cl N9 O2
• Calculated formula: C33 H30 Cd3 Cl N9 O2
• 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: 14.7068 ± 0.0003 Å
• b: 8.7083 ± 0.0001 Å
• c: 29.9347 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3833.77 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No