Information card for entry 4302006

Structure parameters

• Common name: Er2(H2O)4(C6NO2H4)6
• Chemical name: Er2(H2O)4(C6NO2H4)6
• Formula: C36 H32 Er2 N6 O16
• Calculated formula: C36 H28 Er2 N6 O16
• SMILES: [Er]1234([OH2])([OH2])(OC(=[O]1)c1cccnc1)[O]=C(c1cccnc1)O[Er]1([O]=C(c5cccnc5)O1)([O]=C(c1cccnc1)O2)(OC(=[O]4)c1cccnc1)([O]=C(O3)c1cccnc1)([OH2])[OH2]
• Title of publication: Ligand-Dependent Ultrasonic-Assistant Self-Assemblies and Photophysical Properties of Lanthanide Nicotinic/Isonicotinic Complexes
• Authors of publication: Wentong Chen; Shunichi Fukuzumi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 3800 - 3807
• a: 9.525 ± 0.001 Å
• b: 11.478 ± 0.001 Å
• c: 17.783 ± 0.002 Å
• α: 90°
• β: 91.93°
• γ: 90°
• Cell volume: 1943.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0219
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No