Information card for entry 2004070

Structure parameters

• Formula: C36 H20 Ca N10 O14
• Calculated formula: C36 H20 Ca N10 O13.9
• Title of publication: <i>trans</i>-Bis(1,10-phenanthroline)-<i>trans</i>-bis(2,4,6-trinitrophenolato-<i>O</i>,<i>O</i>')calcium(II)
• Authors of publication: Vijayvergiya, V.; Padmanabhan, B.; Singh, T. P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 11
• Pages of publication: 2235 - 2238
• a: 13.538 ± 0.003 Å
• b: 10.798 ± 0.003 Å
• c: 24.646 ± 0.002 Å
• α: 90°
• β: 91.4 ± 0.03°
• γ: 90°
• Cell volume: 3601.8 ± 1.3 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.061
• Goodness-of-fit parameter for significantly intense reflections: 1.59
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No