Information card for entry 7019222

Structure parameters

• Formula: C40 H52 Br2 N12 O4 Pt
• Calculated formula: C40 H52 Br2 N12 O4 Pt
• SMILES: c1(ccccc1)[N]1[Pt]2([N](c3ccccc3)=C(N(c3ccccc3)C(=[NH]2)N2CCCCC2)N)[NH]=C(N(C=1N)c1ccccc1)N1CCCCC1.N(=O)(=O)C.[Br-].N(=O)(=O)C.[Br-]
• Title of publication: Lasagna-type arrays with halide-nitromethane cluster filling. The first recognition of the Hal(-)HCH(2)NO(2) (Hal = Cl, Br, I) hydrogen bonding.
• Authors of publication: Gushchin, Pavel V.; Kuznetsov, Maxim L.; Wang, Qian; Karasik, Andrey A.; Haukka, Matti; Starova, Galina L.; Kukushkin, Vadim Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 23
• Pages of publication: 6922 - 6931
• a: 9.1865 ± 0.0003 Å
• b: 24.935 ± 0.0008 Å
• c: 9.5497 ± 0.0003 Å
• α: 90°
• β: 90.84 ± 0.001°
• γ: 90°
• Cell volume: 2187.27 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No