Information card for entry 7021745

Structure parameters

• Formula: C52 H40 N10 O6 Re2 S3
• Calculated formula: C52 H40 N10 O6 Re2 S3
• Title of publication: Rhenium(i) based metallocalix[4]arenes decorated with free functionalized benzimidazolyl units.
• Authors of publication: Rajakannu, Palanisamy; Elumalai, Palani; Shankar, Bhaskaran; Hussain, Firasat; Sathiyendiran, Malaichamy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 32
• Pages of publication: 11359 - 11362
• a: 13.1042 ± 0.0004 Å
• b: 13.4573 ± 0.0004 Å
• c: 14.6018 ± 0.0005 Å
• α: 91.058 ± 0.003°
• β: 93.181 ± 0.003°
• γ: 101.095 ± 0.003°
• Cell volume: 2521.85 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0365
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No