Information card for entry 7027488

Structure parameters

• Formula: C54.5 H52 Cl N4 O4 Yb
• Calculated formula: C54.5 H48.5 Cl N4 O4 Yb
• Title of publication: Synthesis, characterization and crystal structures of neutral mono- and di-nuclear lanthanide(III) porphyrinate complexes
• Authors of publication: Wong, Wai-Kwok; Zhang, Lilu; Xue, Feng; Mak, Thomas C. W.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 17
• Pages of publication: 3053
• a: 13.68 ± 0.001 Å
• b: 14.74 ± 0.002 Å
• c: 14.969 ± 0.001 Å
• α: 64.59 ± 0.01°
• β: 87.25 ± 0.01°
• γ: 70.34 ± 0.01°
• Cell volume: 2550.9 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0576
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No