Information card for entry 2212971

Structure parameters

• Chemical name: Bis(tetraphenylarsonium) tricyanidonitrido(quinoline-2-carboxylato-κ^2^N,O)rhenate(V) dihydrate
• Formula: C61 H50 As2 N5 O4 Re
• Calculated formula: C61 H50 As2 N5 O4 Re
• SMILES: [Re]1([n]2c(C(=O)O1)ccc1ccccc21)(#N)(C#N)(C#N)C#N.[As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O.O
• Title of publication: Bis(tetraphenylarsonium) tricyanidonitrido(quinoline-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)rhenate(V) dihydrate
• Authors of publication: Mtshali, Thato N.; Purcell, Walter; Visser, Hendrik G.; Basson, Stephen S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m1037 - m1038
• a: 13.367 ± 0.004 Å
• b: 13.37 ± 0.004 Å
• c: 17.083 ± 0.005 Å
• α: 72.831 ± 0.005°
• β: 88.917 ± 0.005°
• γ: 65.473 ± 0.005°
• Cell volume: 2634.8 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0361
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes