Information card for entry 7002938

Structure parameters

• Formula: C10 H10 Br4 Cl4 Cu N4
• Calculated formula: C10 H10 Br4 Cl4 Cu N4
• SMILES: [Cu](Br)(Br)([Br-])[Br-].[nH+]1c(N)c(Cl)cc(Cl)c1.[nH+]1c(N)c(Cl)cc(Cl)c1
• Title of publication: Transition metal complexes of 2-amino-3,5-dihalopyridines: Syntheses, structures and magnetic properties of (3,5-diCAPH)2CuX4 and (3,5-diBAPH)2CuX4
• Authors of publication: Tremelling, Grant W.; Foxman, Bruce M.; Landee, Christopher P.; Turnbull, Mark M.; Willett, Roger D.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 47
• Pages of publication: 10518 - 10526
• a: 11.5372 ± 0.0005 Å
• b: 11.3089 ± 0.0005 Å
• c: 15.9944 ± 0.0007 Å
• α: 90°
• β: 107.196 ± 0.002°
• γ: 90°
• Cell volume: 1993.55 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0224
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections included in the refinement: 0.0392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No