Information card for entry 2015104

Structure parameters

• Common name: mercury(II) (-)-sparteine dichloride
• Chemical name: Dichloro[(6R,7S,8S,14S)-(-)-sparteine-κ^2^N,N']mercury(II)
• Formula: C15 H26 Cl2 Hg N2
• Calculated formula: C15 H26 Cl2 Hg N2
• SMILES: [Hg]1(Cl)(Cl)[N]23CCCC[C@@H]2[C@@H]2C[N]41CCCC[C@H]4[C@H](C3)C2
• Title of publication: Dichloro[(6<i>R</i>,7<i>S</i>,8<i>S</i>,14<i>S</i>)-(‒)-sparteine-κ^2^<i>N</i>,<i>N</i>']mercury(II)
• Authors of publication: Choi, Sung-Nak; Kim, Sang-Yub; Ryu, Hae-Wook; Lee, Yong-Min
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m504 - m506
• a: 11.191 ± 0.003 Å
• b: 12.1156 ± 0.0011 Å
• c: 12.6742 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1718.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes