Information card for entry 4330983

Structure parameters

• Formula: C55 H46 N5 O P2 Re
• Calculated formula: C55 H46 N5 O P2 Re
• SMILES: [Re]([O]=C(C)C)(#N)(C#N)(C#N)(C#N)C#N.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Photoluminescence Switching with Changes in the Coordination Number and Coordinating Volatile Organic Compounds in Tetracyanidonitridorhenium(V) and -technetium(V) Complexes
• Authors of publication: Hayato Ikeda; Takashi Yoshimura; Akitaka Ito; Eri Sakuda; Noboru Kitamura; Tsutomu Takayama; Tsutomu Sekine; Atsushi Shinohara
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12065 - 12074
• a: 9.003 ± 0.003 Å
• b: 11.174 ± 0.003 Å
• c: 13.03 ± 0.005 Å
• α: 64.77 ± 0.01°
• β: 81.19 ± 0.01°
• γ: 80.08 ± 0.01°
• Cell volume: 1163.4 ± 0.7 ų
• Cell temperature: 170.2 K
• Ambient diffraction temperature: 170.2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No