Information card for entry 4000056

Structure parameters

• Formula: C38 H31 N3 O8 Zn2
• Calculated formula: C36.852 H25 N3 O7.426 Zn2
• Title of publication: Crystal Engineering of Nonlinear Optical Materials Based on Interpenetrated Diamondoid Coordination Networks
• Authors of publication: Evans, Owen R.; Lin, Wenbin
• Journal of publication: Chemistry of Materials
• Year of publication: 2001
• Journal volume: 13
• Journal issue: 8
• Pages of publication: 2705 - 2712
• a: 22.0278 ± 0.0014 Å
• b: 6.7802 ± 0.0004 Å
• c: 24.3992 ± 0.0015 Å
• α: 90°
• β: 105.096 ± 0.001°
• γ: 90°
• Cell volume: 3518.3 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1242
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1845
• Weighted residual factors for all reflections included in the refinement: 0.2117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No