Information card for entry 7116446

Structure parameters

• Formula: C66 H86 Er N13 O20 Rh4
• Calculated formula: C66 H82 Er N13 O20 Rh4
• SMILES: [Er]1234(ON(=[O]4)=O)(ON(=O)=O)[O]=C4N5[Rh]6789%10([c]%11([c]7([c]8([c]%10([c]9%11C)C)C)C)C)[O]=C7N6C(=[O]3)N(C=C7C)[Rh]36789([c]%10([c]6([c]7([c]8([c]9%10C)C)C)C)C)[O]=C6N3C(=[O]2)N(C=C6C)[Rh]23678([c]9([c]3([c]6([c]7([c]89C)C)C)C)C)[O]=C3N2C(=[O]1)N(C=C3C)[Rh]12367([O]=C(N41)C(=C5)C)[c]1([c]2([c]3([c]6([c]71C)C)C)C)C.O=N(=O)[O-].O=C1NC=C(C(=O)N1)C.OC
• Title of publication: Thyminate(2-)-bridged cyclic tetranuclear rhodium(III) complexes formed by a template of a sodium, calcium or lanthanoid ion
• Authors of publication: Ayana Kashima; Mika Sakate; Hiromi Ota; Akira Fuyuhiro; Yukinari Sunatsuki; Takayoshi Suzuki
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 1889
• a: 13.8619 ± 0.0004 Å
• b: 18.8672 ± 0.0008 Å
• c: 28.1155 ± 0.0009 Å
• α: 90°
• β: 93.687 ± 0.001°
• γ: 90°
• Cell volume: 7338 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 191 ± 2 K
• Number of distinct elements: 6
• 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: 0.0917
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1652
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No