Information card for entry 7049669

Structure parameters

• Formula: C40 H38 N4 O6
• Calculated formula: C40 H38 N4 O6
• Title of publication: fac-Re(CO)₃-based neutral heteroleptic tetrahedrons.
• Authors of publication: Arumugam, Ramar; Shankar, Bhaskaran; Soumya, K. R.; Sathiyendiran, Malaichamy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 21
• Pages of publication: 7425 - 7431
• a: 8.261 ± 0.003 Å
• b: 35.731 ± 0.014 Å
• c: 12.403 ± 0.003 Å
• α: 90°
• β: 107.77 ± 0.03°
• γ: 90°
• Cell volume: 3486 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2457
• Residual factor for significantly intense reflections: 0.0912
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.2212
• Goodness-of-fit parameter for all reflections included in the refinement: 0.858
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No