Information card for entry 2213427

Structure parameters

• Chemical name: (1,3-Diaminopropan-2-ol-κ^2^N,N')(3-hydroxycyclobutane-1,1-dicarboxylato- κ^2^O,O')platinum(II) monohydrate
• Formula: C9 H14 N2 O7 Pt
• Calculated formula: C9 H14 N2 O7 Pt
• SMILES: C1C(O)CC21C(=O)O[Pt]1([NH2]CC(C[NH2]1)O)OC2=O.O
• Title of publication: (1,3-Diaminopropan-2-ol-κ^2^<i>N</i>,<i>N</i>')(3-hydroxycyclobutane-1,1-dicarboxylato-κ^2^<i>O</i>,<i>O</i>')platinum(II) monohydrate
• Authors of publication: Ming-Jin, Xie; Xi-Zhu Chen; Wei-Ping Liu; Yao Yu; Qing-Shong Ye
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1495 - m1497
• a: 7.4903 ± 0.0005 Å
• b: 9.9299 ± 0.0007 Å
• c: 10.558 ± 0.0008 Å
• α: 76.363 ± 0.001°
• β: 70.395 ± 0.001°
• γ: 68.972 ± 0.001°
• Cell volume: 684.52 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0358
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes