Information card for entry 7047660

Structure parameters

• Chemical name: TcNCN2bpa
• Formula: C17.5 H17 N6 Tc
• Calculated formula: C17.5 H17 N6 Tc
• Title of publication: A luminescent dicyanidonitridotechnetium(v) core with tridentate ligand coordination sites.
• Authors of publication: Yoshimura, Takashi; Nagata, Kojiro; Shiroyama, Tatsuki; Kino, Yasushi; Takayama, Tsutomu; Sekine, Tsutomu; Shinohara, Atsushi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 45
• Pages of publication: 16027 - 16030
• a: 7.3182 ± 0.0003 Å
• b: 10.7602 ± 0.0004 Å
• c: 12.5043 ± 0.0005 Å
• α: 66.5421 ± 0.0017°
• β: 87.0938 ± 0.0014°
• γ: 72.793 ± 0.002°
• Cell volume: 860.32 ± 0.06 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.1953
• Weighted residual factors for all reflections included in the refinement: 0.2022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No