Information card for entry 4334992

Structure parameters

• Formula: C63 H56 N9 O P2 Re
• Calculated formula: C63 H56 N9 O P2 Re
• SMILES: [Re](#N)([n]1ccc(N(C)C)cc1)(C#N)(C#N)(C#N)C#N.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O.N#CC.N#CC
• 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: 11.017 ± 0.002 Å
• b: 11.119 ± 0.002 Å
• c: 24.848 ± 0.004 Å
• α: 80.171 ± 0.007°
• β: 80.257 ± 0.006°
• γ: 76.629 ± 0.006°
• Cell volume: 2891 ± 0.9 ų
• Cell temperature: 170.2 K
• Ambient diffraction temperature: 170.2 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: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.2632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No