Information card for entry 7202888

Structure parameters

• Formula: H4 I Na O2
• Calculated formula: H4 I Na O2
• SMILES: [I-].[Na+].O.O
• Title of publication: Energy aspect of the chemical bonding peculiarities in the crystal of sodium iodide dihydrate
• Authors of publication: Nelyubina, Yulia V.; Antipin, Mikhail Yu.; Lyssenko, Konstantin A.
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 632
• a: 5.9566 ± 0.00013 Å
• b: 7.0989 ± 0.00015 Å
• c: 7.1164 ± 0.00015 Å
• α: 109.5 ± 0.017°
• β: 98.39 ± 0.017°
• γ: 114.69 ± 0.017°
• Cell volume: 243 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0173
• Residual factor for significantly intense reflections: 0.0166
• Weighted residual factors for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections included in the refinement: 0.043
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No