Information card for entry 7112917

Structure parameters

• Formula: C62 H96 Cl2 Rh2 Zn8
• Calculated formula: C62 H96 Cl2 Rh2 Zn8
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Rh]1672345[Zn]23([Zn]45896([Zn]1(C)[Zn]16%10%1172[c]2([c]1([c]6([c]%10([c]%112C)C)C)C)C)[c]1([c]4([c]5([c]8([c]91C)C)C)C)C)[Cl][Zn]12([Cl]3)[Rh]345678([c]9([c]6([c]5([c]4([c]39C)C)C)C)C)[Zn](C)([Zn]345617[c]1([c]3([c]4([c]5([c]61C)C)C)C)C)[Zn]134528[c]2([c]1([c]3([c]4([c]52C)C)C)C)C)C)C)C)C
• Title of publication: One electron organozinc ligands in metal rich molecules by Ga/Zn exchange: from Cp*Rh(GaCp*)2 to Cp*Rh(ZnR)4 units.
• Authors of publication: Molon, Mariusz; Cadenbach, Thomas; Bollermann, Timo; Gemel, Christian; Fischer, Roland A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 31
• Pages of publication: 5677 - 5679
• a: 10.5803 ± 0.0004 Å
• b: 12.4484 ± 0.0005 Å
• c: 16.6142 ± 0.0007 Å
• α: 104.371 ± 0.004°
• β: 103.069 ± 0.003°
• γ: 100.675 ± 0.003°
• Cell volume: 1996.15 ± 0.15 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 0.871
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No