Information card for entry 1570525

Structure parameters

• Formula: C8 H11 Cl N2 O2 Se
• Calculated formula: C8 H11 Cl N2 O2 Se
• Title of publication: Hydrogen Bonds Stabilize Chloroselenite Anions: Crystal Structure of a New Salt and Donor-Acceptor Bonding to SeO₂.
• Authors of publication: Boeré, René T
• Journal of publication: Molecules (Basel, Switzerland)
• Year of publication: 2023
• Journal volume: 28
• Journal issue: 22
• Pages of publication: 7489
• a: 3.9773 ± 0.0003 Å
• b: 28.477 ± 0.002 Å
• c: 9.5781 ± 0.0009 Å
• α: 90°
• β: 91.242 ± 0.001°
• γ: 90°
• Cell volume: 1084.58 ± 0.15 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193.15 K
• Number of distinct elements: 6
• 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: 0.0393
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No