Information card for entry 2202674

Structure parameters

• Chemical name: Ethylenediammonium disodium (1-hydroxyethylidene)diphosphonate tetrahydrate
• Formula: C4 H22 N2 Na2 O11 P2
• Calculated formula: C4 H22 N2 Na2 O11 P2
• SMILES: [Na+].[Na+].P(=O)([O-])(C(P(=O)([O-])[O-])(C)O)[O-].[NH3+]CC[NH3+].O.O.O.O
• Title of publication: Ethylenediammonium disodium (1-hydroxyethylidene)diphosphonate tetrahydrate, [NH~3~(CH~2~)~2~NH~3~]Na~2~(hedp)·4H~2~O
• Authors of publication: Zongbin, Wu; Zhongmin, Liu; Peng, Tian; Lei, Xu; Yanli, He; Shiyun, Sang; Yue, Yang; Xiumei, Liu; Xianchun, Liu; Xinhe, Bao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: m521 - m523
• a: 20.966 ± 0.007 Å
• b: 5.8928 ± 0.0018 Å
• c: 11.871 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1466.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes