Information card for entry 4323099

Structure parameters

• Formula: C7.5 H1.5 Cu0.5 F3 N3 P0.5
• Calculated formula: C353 Cu29 F72 N154 P9
• Title of publication: Construction of Copper(I) Coordination Polymers of 1,2,4,5-Tetracyanobenzene with Zigzag Sheet and Porous Frameworks
• Authors of publication: Megumu Munakata; Gui Ling Ning; Takayoshi Kuroda-Sowa; Masahiko Maekawa; Yusaku Suenaga; Takashi Horino
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 5651 - 5656
• a: 28.282 ± 0.003 Å
• b: 10.337 ± 0.003 Å
• c: 16.285 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4760.9 ± 1.9 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 2.051
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No