Information card for entry 2007237

Structure parameters

• Chemical name: Bis(1,3,5-triamino-1,3,5-trideoxy-cis-inositol) Copper(II) Dichloride Tetrahydrate
• Formula: C12 H38 Cl2 Cu N6 O10
• Calculated formula: C12 H38 Cl2 Cu N6 O10
• Title of publication: Bis(1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol-κ^3^<i>N</i>)copper(II) Dichloride Tetrahydrate
• Authors of publication: Guido J. Reiß; Walter Frank; Kaspar Hegetschweiler; Dirk Kuppert
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 614 - 616
• a: 9.2753 ± 0.0006 Å
• b: 11.3756 ± 0.0008 Å
• c: 21.72 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2291.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No