Information card for entry 1519472

Structure parameters

• Formula: C29 H38 I2 O11 P Zn
• Calculated formula: C29 H38 I2 O11 P Zn
• SMILES: c1(c(cc(cc1OC)OC)OC)P(c1c(cc(cc1OC)OC)OC)(c1c(cc(cc1OC)OC)OC)=[O][Zn]([OH]CC)(I)I
• Title of publication: C29H38I2O11PZn
• Authors of publication: Bell, Norman A.; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2002
• Pages of publication: 883
• a: 11.7172 ± 0.0002 Å
• b: 12.5417 ± 0.0002 Å
• c: 13.7674 ± 0.0002 Å
• α: 69.775 ± 0.0006°
• β: 69.746 ± 0.0006°
• γ: 70.608 ± 0.0007°
• Cell volume: 1728.45 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No