Information card for entry 7000639

Structure parameters

• Formula: C33.22 H28.86 Cu2 N2 O8
• Calculated formula: C33.216 H28.864 Cu2 N2 O8
• Title of publication: Structural susceptibility of gas inclusion crystal to external gas pressure and temperature: force guide role of channel
• Authors of publication: Takamizawa, Satoshi; Nakata, Ei-ichi; Miyake, Ryosuke
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 10
• Pages of publication: 1752 - 1760
• a: 18.468 ± 0.003 Å
• b: 9.7026 ± 0.0014 Å
• c: 19.307 ± 0.003 Å
• α: 90°
• β: 98.811 ± 0.004°
• γ: 90°
• Cell volume: 3418.7 ± 0.9 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1455
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 0.887
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No