Information card for entry 7019223

Structure parameters

• Formula: C40 H52 I2 N12 O4 Pt
• Calculated formula: C40 H52 I2 N12 O4 Pt
• SMILES: c1(ccccc1)[N]1[Pt]2([NH]=C(N(C=1N)c1ccccc1)N1CCCCC1)[N](c1ccccc1)=C(N(c1ccccc1)C(=[NH]2)N1CCCCC1)N.[I-].N(=O)(=O)C.[I-].N(=O)(=O)C
• 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: 9.3488 ± 0.0002 Å
• b: 25.14 ± 0.0005 Å
• c: 9.603 ± 0.0002 Å
• α: 90°
• β: 91.413 ± 0.001°
• γ: 90°
• Cell volume: 2256.3 ± 0.08 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: 0.0485
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No