Information card for entry 2100418

Structure parameters

• Chemical name: 1,10-Phenanthrolin-1-ium (2-Carboxyethyl)(2-carboxylatoethyl)dichlorostannate(IV)
• Formula: C18 H18 Cl2 N2 O4 Sn
• Calculated formula: C18 H18 Cl2 N2 O4 Sn
• SMILES: [Sn]12(Cl)(Cl)([O]=C(O)CC1)OC(=O)CC2.c1ccnc2c1ccc1c2[nH+]ccc1
• Title of publication: Packing and polytypism in 1,10-phenanthrolin-1-ium (2-carboxyethyl)(2-carboxylatoethyl)dichlorostannate(IV)
• Authors of publication: Somphon, Weenawan; Haller, Kenneth J.; Ng, Seik Weng; Rae, A. David
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: 255 - 261
• a: 7.1204 ± 0.0001 Å
• b: 12.5017 ± 0.0002 Å
• c: 12.578 ± 0.0002 Å
• α: 114.424 ± 0.0011°
• β: 92.562 ± 0.0011°
• γ: 104.354 ± 0.0012°
• Cell volume: 973.78 ± 0.03 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 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: 0.0401
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for all reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections: 0.966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No