Information card for entry 2013162

Structure parameters

• Common name: dibromo[(-)-sparteine-κ^2^N,N']zinc(II)
• Chemical name: dibromo[(6R,7S,8S,14S)-1,3,4,7,7a,8,9,10,11,13,14,14a-dodecahydro-7,14- methano-2H,6H-dipyrido[1,2-a;1',2'-e][1,5]diazocine-κ^2^N,N']zinc(II)
• Formula: C15 H26 Br2 N2 Zn
• Calculated formula: C15 H26 Br2 N2 Zn
• SMILES: [Zn]1(Br)(Br)[N]23CCCC[C@@H]2[C@@H]2C[N]41CCCC[C@H]4[C@H](C3)C2
• Title of publication: The triclinic polymorph of dibromo[(‒)-sparteine-κ^2^<i>N</i>,<i>N</i>']zinc(II)
• Authors of publication: Alcántara-Flores, José Luis; Bernès, Sylvain; Reyes-Ortega, Yasmi; Zamorano-Ulloa, Rafael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: m79 - m81
• a: 7.4715 ± 0.0006 Å
• b: 7.7082 ± 0.0007 Å
• c: 9.1435 ± 0.0006 Å
• α: 97.429 ± 0.006°
• β: 112.808 ± 0.005°
• γ: 110.666 ± 0.006°
• Cell volume: 432.02 ± 0.07 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes