Information card for entry 4323291

Structure parameters

• Formula: C70 H40 O21 P2 Re7 Tl
• Calculated formula: C70 H40 O21 P2 Re7 Tl
• SMILES: [Tl]12[Re]3456([Re]7891([Re]1%1023([Re]23%115([Re]5%1247([Re]812([Re]35(C#[O])(C#[O])C#[O])([C]69%10%11%12)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: A Carbidoheptarhenate Complex of Thallium(I)
• Authors of publication: Udo Brand; John R. Shapley
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 253 - 255
• a: 13.5354 ± 0.0005 Å
• b: 14.117 ± 0.0005 Å
• c: 18.6611 ± 0.0006 Å
• α: 81.933 ± 0.001°
• β: 85.679 ± 0.001°
• γ: 89.343 ± 0.001°
• Cell volume: 3520.4 ± 0.2 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 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 all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections: 0.1866
• Weighted residual factors for significantly intense reflections: 0.1375
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for significantly intense reflections: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No