Information card for entry 4508315

Structure parameters

• Common name: [Cd(QUIN-R)(N3)2]2
• Formula: C36 H38 Cd2 N18
• Calculated formula: C36 H38 Cd2 N18
• SMILES: c12ccccc1[n]1[Cd]34(N=N#[N][Cd]56([n]7c(C[N]5(C)CCc5[n]6cccc5)ccc5ccccc75)(N=N#[N]4)N=N#N)(N=N#N)[N](C)(Cc1cc2)CCc1[n]3cccc1
• Title of publication: One-Dimensional Cadmium Polymers with Alternative di(EO/EE) and di(EO/EO/EO/EE) Bridged Azide Bonding Modes
• Authors of publication: Mautner, Franz A.; Louka, Febee R.; Hofer, Johannes; Spell, Mark; Lefèvre, Antoine; Guilbeau, Ashley E.; Massoud, Salah S.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 4518
• a: 9.5324 ± 0.0009 Å
• b: 26.1975 ± 0.0018 Å
• c: 7.8996 ± 0.0006 Å
• α: 90°
• β: 111.624 ± 0.017°
• γ: 90°
• Cell volume: 1833.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No