Information card for entry 2202440

Structure parameters

• Common name: dichloro[(6R,7S,8S,14R)-(-)-α-isosparteine-κ^2^N,N']zinc(II)
• Chemical name: dichloro[(6R,7S,8R,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 Cl2 N2 Zn
• Calculated formula: C15 H26 Cl2 N2 Zn
• SMILES: C1[C@@H]2[C@H]3C[C@@H]4[C@H]5CCCC[N]5([Zn]([N]2(CCC1)C4)(Cl)Cl)C3
• Title of publication: Dichloro[(6<i>R</i>,7<i>S</i>,8<i>S</i>,14<i>R</i>)-({-})-α-isosparteine-κ^2^<i>N,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 E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: m988 - m990
• a: 8.0474 ± 0.0007 Å
• b: 8.0474 ± 0.0007 Å
• c: 25.518 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1652.6 ± 0.3 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes