Information card for entry 7047118

Structure parameters

• Formula: C44 H84 Cl6 N2 P4 Zr2
• Calculated formula: C44 H84 Cl6 N2 P4 Zr2
• Title of publication: Synthesis and reactivity of titanium- and zirconium-dinitrogen complexes bearing anionic pyrrole-based PNP-type pincer ligands.
• Authors of publication: Sekiguchi, Yoshiya; Meng, Fanqiang; Tanaka, Hiromasa; Eizawa, Aya; Arashiba, Kazuya; Nakajima, Kazunari; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 33
• Pages of publication: 11322 - 11326
• a: 14.8731 ± 0.001 Å
• b: 14.7823 ± 0.0009 Å
• c: 25.3833 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5580.7 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No