Information card for entry 7047659

Structure parameters

• Chemical name: TcN(Cl)2bpa
• Formula: C14 H16 Cl2 N5 Tc
• Calculated formula: C14 H16 Cl2 N5 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: 10.282 ± 0.0003 Å
• b: 11.9687 ± 0.0003 Å
• c: 14.2478 ± 0.0005 Å
• α: 90°
• β: 103.695 ± 0.0008°
• γ: 90°
• Cell volume: 1703.52 ± 0.09 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No