Information card for entry 2009498

Structure parameters

• Formula: C14 H14 Ca2 O13
• Calculated formula: C14 H16 Ca2 O14
• Title of publication: Dicalcium 1,4,5,8-naphthalenetetracarboxylate pentahydrate
• Authors of publication: Fitzgerald, L.J.; Gerkin, R.E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 2
• Pages of publication: 185 - 188
• a: 7.737 ± 0.002 Å
• b: 18.634 ± 0.002 Å
• c: 5.911 ± 0.002 Å
• α: 90°
• β: 97.67 ± 0.02°
• γ: 90°
• Cell volume: 844.6 ± 0.4 ų
• Cell temperature: 296 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.033
• Goodness-of-fit parameter for significantly intense reflections: 1.502
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKᾱ
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No