Information card for entry 7013792

Structure parameters

• Common name: [{CuBr(PPh3)(C7H13N3)}2]
• Formula: C50 H56 Br2 Cu2 N6 P2
• Calculated formula: C50 H56 Br2 Cu2 N6 P2
• SMILES: [P](c1ccccc1)([Cu]1([Br][Cu]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([Br]1)[N]1=C2N(CCC1)CCCN2)[N]1=C2N(CCC1)CCCN2)(c1ccccc1)c1ccccc1
• Title of publication: Structural diversity in the coordination of amidines and guanidines to monovalent metal halides.
• Authors of publication: Oakley, Sarah H.; Soria, Delia B.; Coles, Martyn P.; Hitchcock, Peter B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 4
• Pages of publication: 537 - 546
• a: 9.6014 ± 0.0002 Å
• b: 11.2158 ± 0.0002 Å
• c: 12.0457 ± 0.0002 Å
• α: 74.402 ± 0.001°
• β: 73.373 ± 0.001°
• γ: 89.615 ± 0.001°
• Cell volume: 1193.69 ± 0.04 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No