Information card for entry 1520271

Structure parameters

• Formula: C14 H29 Cl2 N9 O7 P6
• Calculated formula: C14 H29 Cl2 N9 O7 P6
• Title of publication: C14H29Cl2N9O7P6
• Authors of publication: Coles, Simon J.; Hursthouse, Michael B.; Davies, David B.; Kilic, Adem
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 413
• a: 32.138 ± 0.002 Å
• b: 8.5084 ± 0.0006 Å
• c: 11.6735 ± 0.0005 Å
• α: 90°
• β: 110.275 ± 0.004°
• γ: 90°
• Cell volume: 2994.3 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.2595
• Residual factor for significantly intense reflections: 0.1412
• Weighted residual factors for significantly intense reflections: 0.2154
• Weighted residual factors for all reflections included in the refinement: 0.259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No