Information card for entry 2237971

Structure parameters

• Chemical name: (Cyclobutane-1,1-dicarboxylato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')platinum(II) dihydrate
• Formula: C18 H18 N2 O6 Pt
• Calculated formula: C18 H18 N2 O6 Pt
• SMILES: [Pt]12([n]3c4c5[n]1cccc5ccc4ccc3)OC(=O)C1(C(=O)O2)CCC1.O.O
• Title of publication: (Cyclobutane-1,1-dicarboxylato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')platinum(II) dihydrate
• Authors of publication: Štarha, Pavel; Trávníček, Zdeněk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: m334
• a: 10.93439 ± 0.00014 Å
• b: 11.83205 ± 0.00018 Å
• c: 13.51039 ± 0.00019 Å
• α: 84.7158 ± 0.0012°
• β: 84.3918 ± 0.0011°
• γ: 85.624 ± 0.0011°
• Cell volume: 1728.16 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes