Information card for entry 7116439

Structure parameters

• Formula: C65 H90 F6 N8 Na O10 P Rh4
• Calculated formula: C65 H86 F6 N8 Na O10 P Rh4
• SMILES: [Rh]123456([c]7([c]6([c]5([c]4([c]37C)C)C)C)C)[O]3C4=[N](C=C(C(=O)N24)C)[Rh]24567([c]8([c]4([c]5([c]6([c]78C)C)C)C)C)[O]4C5=[N](C=C(C(=O)N25)C)[Rh]25678([c]9([c]5([c]6([c]7([c]89C)C)C)C)C)[O]5C6=[N](C=C(C(=O)N26)C)[Rh]26789([c]%10([c]6([c]7([c]8([c]9%10C)C)C)C)C)[O](C6=[N]1C=C(C(=O)N26)C)[Na]345[F]P(F)(F)(F)(F)F.O(CC)CC.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: 16.7562 ± 0.0006 Å
• b: 16.3493 ± 0.0008 Å
• c: 27.6506 ± 0.0009 Å
• α: 90°
• β: 91.707 ± 0.001°
• γ: 90°
• Cell volume: 7571.6 ± 0.5 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 8
• 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: 0.1115
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.227
• Weighted residual factors for all reflections included in the refinement: 0.2495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No