Information card for entry 7011359

Structure parameters

• Formula: C28 H16 Cd6 Cl6 N16
• Calculated formula: C28 H16 Cd6 Cl6 N16
• 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: 13.6454 ± 0.0002 Å
• b: 27.2037 ± 0.0004 Å
• c: 13.5497 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5029.72 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No