Information card for entry 7114739

Structure parameters

• Formula: C27 H26 Cd3 Cl2 N8
• Calculated formula: C29 Cd3 Cl2 N6
• Title of publication: Crystal structure of a polycyano‒polycadmate host clathrate including a charge-transfer complex of methylviologen dication and mesitylene as a guest
• Authors of publication: Yoshikawa, Hirofumi; Nishikiori, Shin-ichi; Suwinska, Kinga; Luboradzki, Roman; Lipkowski, Janusz
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 15
• Pages of publication: 1398
• a: 23.7905 ± 0.0007 Å
• b: 8.8535 ± 0.0002 Å
• c: 15.5522 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3275.75 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1075
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections: 0.1639
• Weighted residual factors for significantly intense reflections: 0.1133
• Goodness-of-fit parameter for all reflections: 1.316
• Goodness-of-fit parameter for significantly intense reflections: 1.104
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No