Information card for entry 8102125

Structure parameters

• Chemical name: bis[(pentaqua)(4-nitrobenzonato-κO)bis(4-nitrobenzonato-κO,O')tris(μ~2~- 4-nitrobenzoato-κ-O,O')diyttrium(III)] dihydrate
• Formula: C84 H72 N12 O60 Y4
• Calculated formula: C84 H72 N12 O60 Y4
• Title of publication: Crystal structure of bis((pentaaqua)(4-nitrobenzoato-κO)bis (4-nitrobenzoato-κO,O')tris(μ-4-nitrobenzoato-κO, O')-diyttrium(III)) dihydrate, Y~4~(H~2~O)~10~(C~7~H~4~NO~4~)~12~ · 2H~2~O
• Authors of publication: Cai, Wen-Xuan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 3
• Pages of publication: 219 - 221
• a: 13.618 ± 0.003 Å
• b: 14.038 ± 0.003 Å
• c: 14.664 ± 0.003 Å
• α: 94.08 ± 0.03°
• β: 106.88 ± 0.03°
• γ: 103.06 ± 0.03°
• Cell volume: 2584.9 ± 1.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No