Information card for entry 2239251

Structure parameters

• Chemical name: Bis(2-methoxybenzylammonium) diaquabis(dihydrogen diphosphato-κ^2^<i>O</i>,<i>O</i>')cobaltate(II) dihydrate
• Formula: C16 H36 Co N2 O20 P4
• Calculated formula: C16 H36 Co N2 O20 P4
• SMILES: c1(c(cccc1)OC)C[NH3+].O1P(=O)(O)OP(=O)(O[Co]21([OH2])(OP(=O)(O)OP(=O)(O2)O)[OH2])O.O.c1(c(cccc1)OC)C[NH3+].O
• Title of publication: Bis(2-methoxybenzylammonium) diaquabis(dihydrogen diphosphato-κ^2^<i>O</i>,<i>O</i>')cobaltate(II) dihydrate
• Authors of publication: Elboulali, Adel; Selmi, Ahmed; Ratel-Ramond, Nicolas; Rzaigui, Mohamed; Akriche, Samah Toumi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: m145 - m146
• a: 14.05 ± 0.005 Å
• b: 11.971 ± 0.005 Å
• c: 9.161 ± 0.005 Å
• α: 90°
• β: 93.718 ± 0.005°
• γ: 90°
• Cell volume: 1537.6 ± 1.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.1399
• Residual factor for significantly intense reflections: 0.0958
• Weighted residual factors for significantly intense reflections: 0.2308
• Weighted residual factors for all reflections included in the refinement: 0.2658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes