Information card for entry 7023440

Structure parameters

• Formula: C50 H40 Cl4 Hg2 N8 O2
• Calculated formula: C50 H40 Cl4 Hg2 N8 O2
• SMILES: c1[n]2[Hg]3([N]4=C(c2ccc1)[C@@](c1ccccn1)(N(c1c4cccc1)c1ccccc1)OC)(Cl)[Cl][Hg]1([n]2ccccc2C2[C@@](c4ccccn4)(N(c4c([N]1=2)cccc4)c1ccccc1)OC)([Cl]3)Cl.c1[n]2[Hg]3([N]4=C(c2ccc1)[C@](c1ccccn1)(N(c1c4cccc1)c1ccccc1)OC)(Cl)[Cl][Hg]1([n]2ccccc2C2[C@](c4ccccn4)(N(c4c([N]1=2)cccc4)c1ccccc1)OC)([Cl]3)Cl
• Title of publication: Mono- and di-nuclear photoluminescent complexes of zinc(II), cadmium(II) and mercury(II) of a chiral diimine ligand.
• Authors of publication: Kundu, Suman; Maity, Suvendu; Saha Sardar, Pinki; Ghosh, Sanjib; Ghosh, Prasanta
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 36
• Pages of publication: 13026 - 13035
• a: 30.948 ± 0.004 Å
• b: 9.0839 ± 0.0011 Å
• c: 20.878 ± 0.003 Å
• α: 90°
• β: 127.402 ± 0.004°
• γ: 90°
• Cell volume: 4662.6 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.2627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No