Information card for entry 7029851

Structure parameters

• Formula: C19 H38 Cl5 N6 O3 P Zn2
• Calculated formula: C19 H38 Cl5 N6 O3 P Zn2
• SMILES: [Zn]12(Cl)OP(=O)(O[Zn](Cl)([n]3n1ccc3)[n]1n2ccc1)C(Cl)(Cl)Cl.[NH+](CC)(CC)CC.[NH+](CC)(CC)CC
• Title of publication: Molecular and polymeric zinc(ii) phosphonates: isolation of an octanuclear ellipsoidal ensemble.
• Authors of publication: Sahoo, Dipankar; Suriyanarayanan, Ramakirushnan; Metre, Ramesh K; Chandrasekhar, Vadapalli
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 19
• Pages of publication: 7304 - 7313
• a: 9.679 ± 0.0017 Å
• b: 20.502 ± 0.008 Å
• c: 15.715 ± 0.0013 Å
• α: 90°
• β: 91.657 ± 0.0018°
• γ: 90°
• Cell volume: 3117.2 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1672
• Weighted residual factors for all reflections included in the refinement: 0.1748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No