Information card for entry 7011365

Structure parameters

• Formula: C31 H22 Cd5 N14
• Calculated formula: C33 H22 Cd5 N12
• Title of publication: Polycyano‒polycadmate host clathrates including a methylviologen dication. Syntheses, crystal structures and photo-induced reduction of methylviologen dication
• Authors of publication: Yoshikawa, Hirofumi; Nishikiori, Shin-ichi; Watanabe, Tokuko; Ishida, Toshimasa; Watanabe, Go; Murakami, Makoto; Suwinska, Kinga; Luboradzki, Roman; Lipkowski, Janusz
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 9
• Pages of publication: 1907
• a: 11.4002 ± 0.0004 Å
• b: 23.4038 ± 0.0011 Å
• c: 15.6457 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4174.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 74
• Hermann-Mauguin space group symbol: I c m m
• Hall space group symbol: -I 2 2b
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No