Information card for entry 8101839

Structure parameters

• Chemical name: tetraammoninium bis[(pyridine-2,6-dicarboxylato-O,O',N)cadmate(II)] pentahydrate
• Formula: C14 H19 Cd N4 O10.5
• Calculated formula: C14 H19 Cd N4 O10.5
• SMILES: [Cd]1234([n]5c(C(=O)O1)cccc5C(=O)O2)[n]1c(C(=O)O3)cccc1C(=O)O4.[NH4+].[NH4+].O.O.O
• Title of publication: Crystal structure of tetraammonium bis[(pyridine-2,6-dicarboxylato- O,N,O')cadmate(II)] pentahydrate, (NH~4~)~4~[Cd(C~7~H~3~NO~4~)~2~] ~2~ · 5H~2~O
• Authors of publication: A.-Y. Fu; D.-Q. Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 3
• Pages of publication: 503 - 505
• a: 16.44 ± 0.005 Å
• b: 16.586 ± 0.005 Å
• c: 15.332 ± 0.005 Å
• α: 90°
• β: 115.695 ± 0.005°
• γ: 90°
• Cell volume: 3767 ± 2 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 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 all reflections: 0.106
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No