Information card for entry 4126476

Structure parameters

• Formula: C22 H12 Co N2 O4
• Calculated formula: C22 H12 Co N2 O4
• Title of publication: Synthesis of Oligodiacetylene Derivatives from Flexible Porous Coordination Frameworks.
• Authors of publication: Fujiwara, Yu-Ichi; Kadota, Kentaro; Nagarkar, Sanjog S.; Tobori, Prof Norio; Kitagawa, Susumu; Horike, Satoshi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 9.016 ± 0.007 Å
• b: 10.118 ± 0.008 Å
• c: 13.759 ± 0.01 Å
• α: 92.246 ± 0.009°
• β: 90.542 ± 0.011°
• γ: 103.13 ± 0.015°
• Cell volume: 1221.2 ± 1.6 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.0677
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No