Information card for entry 7218253

Structure parameters

• Formula: C57 H46 Cu2 N2 O2 P2 S3
• Calculated formula: C57 H46 Cu2 N2 O2 P2 S3
• Title of publication: Studies of structural diversity due to inter-/intra-molecular hydrogen bonding and photoluminescent properties in thiocarboxylate Cu(I) and Ag(I) complexes
• Authors of publication: Singh, Suryabhan; Bhattacharya, Subrato
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 12.834 ± 0.008 Å
• b: 14.77 ± 0.009 Å
• c: 15.9 ± 0.011 Å
• α: 65.78 ± 0.06°
• β: 87.9 ± 0.06°
• γ: 69.1 ± 0.06°
• Cell volume: 2546 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1358
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No