Information card for entry 4114008

Structure parameters

• Formula: C12 H52 B6 F24 N6 O8 Rh2 Se6
• Calculated formula: C12 H36 B6 F24 N6 O8 Rh2 Se6
• SMILES: [B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].C1C[NH2][Rh]2345[NH2]CC[Se]3[Se]3CC[NH2][Rh]673([NH2]CC[Se]6[Se]4CC[NH2]5)[NH2]CC[Se]7[Se]12.O.O.O.O.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].O.O.O.O
• Title of publication: The First Triple Thiol-thiolate Hydrogen Bond versus Triple Diselenide Bond That Bridges Two Metal Centers
• Authors of publication: Takumi Konno; Kazuyuki Haneishi; Masakazu Hirotsu; Tadashi Yamaguchi; Tasuku Ito; Takashi Yoshimura
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 9244 - 9245
• a: 13.963 ± 0.003 Å
• b: 10.569 ± 0.002 Å
• c: 16.508 ± 0.002 Å
• α: 90°
• β: 110.74 ± 0.01°
• γ: 90°
• Cell volume: 2278.3 ± 0.7 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 8
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections: 0.1761
• Goodness-of-fit parameter for all reflections: 1.135
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoK?a
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No