Information card for entry 1507983

Structure parameters

• Formula: C65 H118 Ho4 Mo Si4
• Calculated formula: C65 H118 Ho4 Mo Si4
• SMILES: [Ho]12345678([c]9([c]2([c]3([c]4([c]59C)C)C)C)[Si](C)(C)C)[H][Ho]23459%10%11([c]%12([Si](C)(C)C)[c]2([c]3([c]4([c]5%12C)C)C)C)[H]6[Ho]23456%12([c]%13([Si](C)(C)C)[c]2([c]3([c]4([c]5%13C)C)C)C)([H]7)[H][Ho]23457([c]%13([Si](C)(C)C)[c]2([c]3([c]4([c]5%13C)C)C)C)([H]9)([H]6%11)[H][Mo]2345([H]1)([H]8)([H]7)([H]%10%12)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.Cc1ccccc1
• Title of publication: Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.
• Authors of publication: Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin
• Journal of publication: Nature chemistry
• Year of publication: 2011
• Journal volume: 3
• Journal issue: 10
• Pages of publication: 814 - 820
• a: 13.2501 ± 0.0013 Å
• b: 30.326 ± 0.003 Å
• c: 18.0991 ± 0.0018 Å
• α: 90°
• β: 91.819 ± 0.002°
• γ: 90°
• Cell volume: 7269 ± 1.2 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 0.875
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No