Information card for entry 4335002

Structure parameters

• Formula: C60 H48 Cl4 N7 P2 Tc
• Calculated formula: C60 H48 Cl4 N7 P2 Tc
• SMILES: [Tc](#N)([n]1ccc(cc1)C#N)(C#N)(C#N)(C#N)C#N.ClCCl.ClCCl.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Excited-State Characteristics of Tetracyanidonitridorhenium(V) and -technetium(V) Complexes with N-Heteroaromatic Ligands
• Authors of publication: Hayato Ikeda; Akitaka Ito; Eri Sakuda; Noboru Kitamura; Tsutomu Takayama; Tsutomu Sekine; Atsushi Shinohara; Takashi Yoshimura
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6319 - 6327
• a: 13.9373 ± 0.0003 Å
• b: 14.1798 ± 0.0004 Å
• c: 16.0434 ± 0.0005 Å
• α: 110.547 ± 0.0011°
• β: 90.2077 ± 0.0009°
• γ: 107.332 ± 0.0007°
• Cell volume: 2813.29 ± 0.14 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No