Information card for entry 4317851

Structure parameters

• Chemical name: 2-bromo-1,3-bis(piperdylmethyl)benzene
• Formula: C18 H27 Br N2
• Calculated formula: C18 H27 Br N2
• SMILES: Brc1c(CN2CCCCC2)cccc1CN1CCCCC1
• Title of publication: Synthesis, Structures, and Emissive Properties of Platinum(II) Complexes with a Cyclometallating Aryldiamine Ligand
• Authors of publication: Hershel Jude; Jeanette A. Krause Bauer; William B. Connick
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 2275 - 2281
• a: 10.0813 ± 0.0013 Å
• b: 10.153 ± 0.002 Å
• c: 10.3901 ± 0.0013 Å
• α: 66.048 ± 0.011°
• β: 79.065 ± 0.01°
• γ: 64.508 ± 0.012°
• Cell volume: 877.1 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No