Information card for entry 7229567

Structure parameters

• Formula: C14 H11 Cl4 N5
• Calculated formula: C14 H11 Cl4 N5
• SMILES: NC(=N\C(=N\c1cc(Cl)cc(Cl)c1)N)/Nc1cc(Cl)cc(Cl)c1
• Title of publication: Cyclometallated Platinum(II) and Palladium(II) Complexes Containing 1,5-Diarylbiguanides: Synthesis, Characterisation and Hydrogen Bond-directed Assembly
• Authors of publication: McMorran, David; McKay, Aidan P.; Gordon, Keith; Shillito, Georgina E.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 25.641 ± 0.0008 Å
• b: 8.0045 ± 0.0002 Å
• c: 7.8006 ± 0.0003 Å
• α: 90°
• β: 98.534 ± 0.003°
• γ: 90°
• Cell volume: 1583.29 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0409
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No