Information card for entry 7008664

Structure parameters

• Formula: C25 H21 Cd3.5 N12 O
• Calculated formula: C25 H21 Cd3.5 N12 O
• 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: 8.1525 ± 0.0002 Å
• b: 22.1878 ± 0.0005 Å
• c: 18.3312 ± 0.0005 Å
• α: 90°
• β: 98.9563 ± 0.0011°
• γ: 90°
• Cell volume: 3275.43 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No