Information card for entry 7204025

Structure parameters

• Formula: C62 H48 N8 O2 S32
• Calculated formula: C64 H32 N8 S32
• Title of publication: A stable and flexible dianion: 2­dicyanomethylene­1,1,3,4,5,5­hexacyanopentenediide (DHCP2−), and its complex formation
• Authors of publication: Saito, Gunzi; Sekizaki, Shuichi; Konsha, Akihiko; Yamochi, Hideki; Matsumoto, Kiyoshi; Kusunoki, Masami; Sakaguchi, Ken-ichi
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2001
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 364
• a: 15.365 ± 0.007 Å
• b: 21.369 ± 0.009 Å
• c: 12.961 ± 0.005 Å
• α: 99.92 ± 0.03°
• β: 105.22 ± 0.05°
• γ: 77.02 ± 0.05°
• Cell volume: 3972 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1423
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections: 1.187
• Weighted residual factors for significantly intense reflections: 0.1764
• Goodness-of-fit parameter for all reflections: 1.082
• Goodness-of-fit parameter for significantly intense reflections: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No