Information card for entry 4334995

Structure parameters

• Formula: C65 H53 Cl4 N6 P2 Re
• Calculated formula: C65 H53 Cl4 N6 P2 Re
• SMILES: [Re](#N)([n]1ccc(cc1)c1ccccc1)(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: 17.8025 ± 0.0018 Å
• b: 13.3672 ± 0.0014 Å
• c: 25.167 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5989 ± 1.3 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.2556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No