Information card for entry 7017265

Structure parameters

• Formula: C36 H50 Cl10 N2 Zn4
• Calculated formula: C36 H50 Cl10 N2 Zn4
• SMILES: c1cc(c(/[NH+]=C/c2c(C)c(c(/C=[NH+]/c3c(cccc3C(C)C)C(C)C)c(c2C)C)C)c(c1)C(C)C)C(C)C.[Cl]1[Zn]2([Cl][Zn]1(Cl)[Cl][Zn]1([Cl][Zn]([Cl]1)(Cl)[Cl]2)Cl)Cl
• Title of publication: Chlorometallate and palladium cluster complexes of wide-span diimine and diamine ligands.
• Authors of publication: Hart, John S.; Parsons, Simon; Love, Jason B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12025 - 12027
• a: 9.5094 ± 0.0008 Å
• b: 10.1009 ± 0.0008 Å
• c: 13.8791 ± 0.001 Å
• α: 88.205 ± 0.006°
• β: 85.706 ± 0.006°
• γ: 61.321 ± 0.008°
• Cell volume: 1166.29 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No