Information card for entry 8106996

Structure parameters

• Formula: C94 H64 N4 O16 Pr2 S4
• Calculated formula: C94 H64 N4 O16 Pr2 S4
• Title of publication: Crystal structure of the poly[(μ4-biphenyl-4,4′-dicarboxylato-κ4 O:O′:O′′:O′′′) bis(μ3-8-(11-(oxysulfonyl)-4-silbenyl)-2-(oxysulfonyl)stilbene-κ4 O:O′:O′′,O′′′) bis(1,10-phenanthroline-k2 N,N′) dipraseodymium(III)], C94H64N4O16Pr2S4
• Authors of publication: Qiao, Mu; Wang, Dehui; Lin-ping, Sun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 751 - 753
• a: 13.174 ± 0.003 Å
• b: 21.479 ± 0.004 Å
• c: 17.797 ± 0.006 Å
• α: 90°
• β: 124.23 ± 0.02°
• γ: 90°
• Cell volume: 4164 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1144
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No