Information card for entry 7047119

Structure parameters

• Formula: C68 H110 N4 P4 Zr2
• Calculated formula: C68 H110 N4 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: 27.0349 ± 0.0009 Å
• b: 14.8663 ± 0.0004 Å
• c: 17.767 ± 0.0006 Å
• α: 90°
• β: 107.262 ± 0.008°
• γ: 90°
• Cell volume: 6819.1 ± 0.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1313
• 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