Information card for entry 7026802

Structure parameters

• Formula: C66 H84 B2 N12 O4 Pt
• Calculated formula: C66 H84 B2 N12 O4 Pt
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C1(=[NH][Pt]2([NH]=C(O1)N(C)C)[NH]=C(N(C)C)OC(=[NH]2)N(C)C)N(C)C.NC(=O)N(C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.N(C)(C)C(=O)N
• Title of publication: Push-pull nitrile ligands exhibit specific hydration patterns.
• Authors of publication: Anisimova, Tatyana B.; Bokach, Nadezhda A.; Luzyanin, Konstantin V.; Haukka, Matti; Kukushkin, Vadim Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 44
• Pages of publication: 10790 - 10798
• a: 9.7414 ± 0.001 Å
• b: 13.1182 ± 0.001 Å
• c: 13.613 ± 0.001 Å
• α: 63.951 ± 0.004°
• β: 81.114 ± 0.008°
• γ: 88.18 ± 0.007°
• Cell volume: 1542.9 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0315
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No