Information card for entry 1562876

Structure parameters

• Formula: C66 H56 Cd2 N12 O16
• Calculated formula: C66 H56 Cd2 N12 O16
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Cd]124([n]3cccc4ccc5ccc[n]1c5c34)[O]=C(O[Cd]13([n]4cccc5ccc6ccc[n]1c6c45)([n]1cccc4ccc5ccc[n]3c5c14)[O]=C(O2)c1cc2nc[nH]c2cc1C(=O)[O-])c1cc2nc[nH]c2cc1C(=O)[O-].O.O.O.O.O.O.O.O
• Title of publication: Syntheses, structures and luminescent properties of zero-/two-dimensional Cd(II) and Eu(III) complexes
• Authors of publication: Fan, Rui-Qing; Wang, Li-Yuan; Wang, Ping; Chen, Hong; Sun, Cun-fa; Yang, Yu-Lin; Su, Qing
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2012
• Journal volume: 196
• Pages of publication: 332 - 340
• a: 10.26 ± 0.002 Å
• b: 12.28 ± 0.003 Å
• c: 13.63 ± 0.003 Å
• α: 64.06 ± 0.03°
• β: 89.36 ± 0.03°
• γ: 87.26 ± 0.03°
• Cell volume: 1542.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0894
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1639
• Weighted residual factors for all reflections included in the refinement: 0.1843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No