Information card for entry 7218954

Structure parameters

• Formula: C72 H58 Cl2 N8 O12 Zn3
• Calculated formula: C72 H58 Cl2 N8 O12 Zn3
• SMILES: c1ccc2c3c(ccc2)[N]2=Cc4cc(cc(c4[O]4[Zn]562([n]13)[N](=Cc1c([O]6[Zn]24[O]3c4c(C=[N]6c7cccc8ccc[n](c78)[Zn]7836[N](=Cc3c([O]28)c(cc(c3)C)C)c2cccc3ccc[n]7c23)cc(cc4C)C)c(cc(c1)C)C)c1cccc2ccc[n]5c12)C)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Photophysical Property vs Medium: Mononuclear, Dinuclear and Trinuclear Zn(II) Complexes
• Authors of publication: Hens, Amar; Rajak, Kajal Krishna
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 24.9663 ± 0.0009 Å
• b: 20.6291 ± 0.0007 Å
• c: 16.9291 ± 0.0006 Å
• α: 90°
• β: 111.647 ± 0.002°
• γ: 90°
• Cell volume: 8104.1 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1094
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.1821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No