Information card for entry 2019360

Structure parameters

• Formula: C68 H100 B2 N4 O16 P8 Rh2
• Calculated formula: C68 H100 B2 N4 O16 P8 Rh2
• SMILES: CO[P]1(N(C)[P](OC)(OC)[Rh]2([P](N(C)[P](OC)(OC)[Rh]31[P](N(C)[P]3(OC)OC)(OC)OC)(OC)OC)[P](N(C)[P]2(OC)OC)(OC)OC)OC.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: The development of Laue techniques for single-pulse diffraction of chemical complexes: time-resolved Laue diffraction on a binuclear rhodium metal-organic complex
• Authors of publication: Makal, Anna; Trzop, Elzbieta; Sokolow, Jesse; Kalinowski, Jaroslaw; Benedict, Jason; Coppens, Philip
• Journal of publication: Acta Crystallographica Section A Foundations of Crystallography
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: 319 - 326
• a: 13.9783 ± 0.0003 Å
• b: 20.2046 ± 0.0005 Å
• c: 28.1465 ± 0.0007 Å
• α: 90°
• β: 90.842 ± 0.001°
• γ: 90°
• Cell volume: 7948.4 ± 0.3 ų
• Cell temperature: 225 ± 2 K
• Ambient diffraction temperature: 225 ± 2 K
• Number of distinct elements: 7
• 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: 0.0401
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No