Information card for entry 7207995

Structure parameters

• Formula: C24 H56 Cu I4 N8 O8 Tb
• Calculated formula: C24 H56 Cu I4 N8 O8 Tb
• SMILES: C(=[O][Tb]([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C)N(C)C.[I-].[I-][Cu](I)[I-]
• Title of publication: Solid-state structural transformations in metal organic-inorganic hybrids constructed from terbium(iii) complexes and iodocuprate clusters
• Authors of publication: Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 3894
• a: 11.0023 ± 0.0002 Å
• b: 12.948 ± 0.0002 Å
• c: 17.0582 ± 0.00029 Å
• α: 79.5186 ± 0.0011°
• β: 73.0295 ± 0.0011°
• γ: 73.5139 ± 0.001°
• Cell volume: 2215.66 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for all reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9046
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No