Information card for entry 2208388

Structure parameters

• Chemical name: bis(ethylenediammonium) diaquabis[hydrogendiphosphato(3-)]nickel(II)
• Formula: C4 H26 N4 Ni O16 P4
• Calculated formula: C4 H26 N4 Ni O16 P4
• SMILES: C([NH3+])C[NH3+].C([NH3+])C[NH3+].[OH2][Ni]12(OP(=O)(OP(=O)(O1)O)[O-])(OP(=O)(OP(=O)(O2)O)[O-])[OH2]
• Title of publication: Bis(ethylenediammonium) diaquabis[hydrogendiphosphato(3–)]nickelate(II): structure and vibrational spectroscopy
• Authors of publication: Essehli, Rachid; El Bali, Brahim; Lachkar, Mohammed; Svoboda, Ingrid; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m538 - m541
• a: 7.4898 ± 0.0009 Å
• b: 7.5517 ± 0.0007 Å
• c: 9.778 ± 0.0001 Å
• α: 103.876 ± 0.009°
• β: 111.19 ± 0.001°
• γ: 97.711 ± 0.008°
• Cell volume: 485.48 ± 0.08 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes