Information card for entry 2205883

Structure parameters

• Common name: calcium nitrate(15-crown-5)
• Chemical name: Bis(nitrato-κ^2^O,O')(1,4,7,10,13-pentaoxacyclopentadecane)calcium(II)
• Formula: C10 H20 Ca N2 O11
• Calculated formula: C10 H20 Ca N2 O11
• SMILES: [Ca]123456([O]7CC[O]1CC[O]2CC[O]3CC[O]4CC7)([O]=N(=O)O5)[O]=N(=O)O6
• Title of publication: Bis(nitrato-κ^2^<i>O,O</i>')(1,4,7,10,13-pentaoxacyclopentadecane)calcium(II)
• Authors of publication: Brown, Michael D.; Levason, William; Webster, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1015 - m1017
• a: 15.194 ± 0.0015 Å
• b: 15.908 ± 0.003 Å
• c: 13.227 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3197 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes