Information card for entry 7011358

Structure parameters

• Formula: C27 H20 Cd5 Cl3 N14
• Calculated formula: C28 H20 Cd5 Cl3 N13
• 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: 10.946 ± 0.003 Å
• b: 23.705 ± 0.003 Å
• c: 15.847 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4111.9 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 53
• Hermann-Mauguin space group symbol: P n c m
• Hall space group symbol: -P 2 2bc
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1356
• Goodness-of-fit parameter for significantly intense reflections: 1.098
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No