Information card for entry 7046830

Structure parameters

• Formula: C48 H34 N2 O2 P2
• Calculated formula: C48 H34 N2 O2 P2
• Title of publication: Playing with Pearson's concept: orthogonally functionalized 1,4-diaza-1,3-butadienes leading to heterobinuclear complexes.
• Authors of publication: Neu, J. P.; Di Martino-Fumo, P; Oelkers, B.; Sun, Y.; Neuba, A.; Gerhards, M.; Thiel, W. R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 29
• Pages of publication: 9643 - 9656
• a: 8.3124 ± 0.0002 Å
• b: 10.1962 ± 0.0005 Å
• c: 22.7502 ± 0.0008 Å
• α: 83.207 ± 0.003°
• β: 81.011 ± 0.003°
• γ: 80.319 ± 0.003°
• Cell volume: 1868.99 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1701
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No