Information card for entry 7000647

Structure parameters

• Formula: C34 H32 Cu2 N2 O8
• Calculated formula: C34 H32 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: 9.693 ± 0.002 Å
• b: 10.195 ± 0.002 Å
• c: 10.692 ± 0.002 Å
• α: 71.428 ± 0.005°
• β: 64.517 ± 0.005°
• γ: 62.919 ± 0.005°
• Cell volume: 839.3 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.1427
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.1917
• Weighted residual factors for all reflections included in the refinement: 0.2247
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No