Information card for entry 7104488

Structure parameters

• Formula: C18 H23 Br N6 O4 Re
• Calculated formula: C18 H23 Br N6 O4 Re
• SMILES: [Re](C#[O])([n]1[nH]c(cc1C)C)([n]1[nH]c(cc1C)C)([n]1cc(ccc1)N)(C#[O])C#[O].O.[Br-]
• Title of publication: Metal complexes with two different hydrogen-bond donor ligands as anion hosts.
• Authors of publication: Nieto, Sonia; Pérez, Julio; Riera, Lucía; Riera, Víctor; Miguel, Daniel
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 22
• Pages of publication: 3279 - 3281
• a: 8.3635 ± 0.0003 Å
• b: 8.959 ± 0.0004 Å
• c: 16.4246 ± 0.0007 Å
• α: 104.396 ± 0.004°
• β: 90.268 ± 0.003°
• γ: 107.713 ± 0.004°
• Cell volume: 1131.21 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0518
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No