Information card for entry 4502309

Structure parameters

• Formula: C145.5 H107 Cl3 O24 P6 Ru6
• Calculated formula: C145.5 H104 Cl3 O24 P6 Ru6
• Title of publication: Enabling Solvated Single-Crystal-to-Single-Crystal Transformation that Forms a Porous Molecular Crystal by Intermolecular Multiphenyl-Embrace Interactions and Substituent Effects
• Authors of publication: Shiu, Kom-Bei; Lee, Hon-Chan; Lee, Gene-Hsiang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 2083
• a: 14.5563 ± 0.0001 Å
• b: 20.6368 ± 0.0002 Å
• c: 23.5798 ± 0.0002 Å
• α: 102.312 ± 0.0003°
• β: 90.8464 ± 0.0003°
• γ: 104.953 ± 0.0003°
• Cell volume: 6667.7 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1028
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1746
• Weighted residual factors for all reflections included in the refinement: 0.2002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No