Information card for entry 4328958

Structure parameters

• Formula: C16 H14 Cu O6
• Calculated formula: C16 H14 Cu O6
• Title of publication: Non-Centrosymmetric Coordination Polymer with a Highly Hindered Octahedral Copper Center Bridged by Mandelate
• Authors of publication: Makoto Moriya; Shingo Tominaga; Takayoshi Hashimoto; Kazuki Tanifuji; Tsuyoshi Matsumoto; Yasuhiro Ohki; Kazuyuki Tatsumi; Junichi Kaneshiro; Yoshiaki Uesu; Wataru Sakamoto; Toshinobu Yogo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4689 - 4693
• a: 30.032 ± 0.016 Å
• b: 5.718 ± 0.003 Å
• c: 9.294 ± 0.005 Å
• α: 90°
• β: 103.177 ± 0.008°
• γ: 90°
• Cell volume: 1554 ± 1.4 ų
• Cell temperature: 173.1 K
• Ambient diffraction temperature: 173.1 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No