Information card for entry 8102579

Structure parameters

• Chemical name: Crystal structure of 2,9-dimethyl-1,10-phenanthroline chromate, 2(C~14~H~12~N~2~)(Cr~2~O~7~) 2(H~2~O) 2H
• Formula: C28 H30 Cr2 N4 O9
• Calculated formula: C28 H30 Cr2 N4 O9
• Title of publication: Crystal structure of bis(2,9-dimethyl-1,10-phenanthrolinium) dichromate dihydrate, [C14H13N2]2[Cr2O7] · 2H2O
• Authors of publication: Hai-Xing Liu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 717
• a: 24.268 ± 0.002 Å
• b: 6.8564 ± 0.0008 Å
• c: 19.9561 ± 0.0018 Å
• α: 90°
• β: 120.6 ± 0.002°
• γ: 90°
• Cell volume: 2858.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No