Information card for entry 7002939

Structure parameters

• Formula: C10 H10 Br4 Cl4 Cu N4
• Calculated formula: C10 H10 Br4 Cl4 Cu N4
• SMILES: [Cu](Cl)(Cl)([Cl-])[Cl-].[nH+]1c(N)c(Br)cc(Br)c1.[nH+]1c(N)c(Br)cc(Br)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: 16.3124 ± 0.001 Å
• b: 7.9776 ± 0.0005 Å
• c: 14.6739 ± 0.0009 Å
• α: 90°
• β: 94.001 ± 0.003°
• γ: 90°
• Cell volume: 1904.9 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections included in the refinement: 0.0431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No