Information card for entry 2020591

Structure parameters

• Chemical name: (Acetonitrile-κ<i>N</i>)(η^2^-2-allyl-4-methoxy-5-{[(propan-2-yloxy)\ carbonyl]methoxy}phenyl-κ<i>C</i>^1^)chloridoplatinum(II) monohydrate
• Formula: C17 H24 Cl N O5 Pt
• Calculated formula: C17 H24 Cl N O5 Pt
• SMILES: [Pt]12(Cl)([N]#CC)c3cc(OCC(=O)OC(C)C)c(OC)cc3C[CH]1=[CH2]2.O
• Title of publication: Crystallization experiments with the dinuclear chelate ring complex di-μ-chlorido-bis[(η^2^-2-allyl-4-methoxy-5-{[(propan-2-yloxy)carbonyl]methoxy}phenyl-κ<i>C</i>^1^)platinum(II)]
• Authors of publication: Nguyen Thi Thanh, Chi; Pham Van, Thong; Le Thi Hong, Hai; Van Meervelt, Luc
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 10
• Pages of publication: 758 - 764
• a: 8.3747 ± 0.0004 Å
• b: 10.5732 ± 0.0005 Å
• c: 11.0883 ± 0.0004 Å
• α: 76.67 ± 0.004°
• β: 89.496 ± 0.003°
• γ: 82.641 ± 0.004°
• Cell volume: 947.3 ± 0.07 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0242
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes