Information card for entry 2003888

Structure parameters

• Formula: C37 H20 Cl3 N2 Na O9 Zn2
• Calculated formula: C37 H16 Cl3 N2 Na O9 Zn2
• Title of publication: Zinc(II) Chloride‒Methanol Complex of 2-[(1,3-Dihydro-1,3-dioxo-2<i>H</i>-inden-2-ylidene)amino]-1<i>H</i>-indene-1,3(2<i>H</i>)-dionate(1‒) Sodium Salt: a Complex of Ruhemann's Purple
• Authors of publication: Davies, P. J.; Taylor, M. R.; Wainwright, K. P.; Kobus, H. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 9
• Pages of publication: 1802 - 1805
• a: 12.06 ± 0.003 Å
• b: 10.027 ± 0.008 Å
• c: 8.046 ± 0.002 Å
• α: 76.36 ± 0.05°
• β: 89.08 ± 0.02°
• γ: 66.09 ± 0.04°
• Cell volume: 860.9 ± 0.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.041
• Goodness-of-fit parameter for all reflections: 3.9
• Goodness-of-fit parameter for significantly intense reflections: 3.624
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No