Information card for entry 4303550

Structure parameters

• Common name: nicotinic acid tetra ethylene glycol calcium iodide trihydrate
• Formula: C22 H32 Ca Cl6 I2 N2 O10
• Calculated formula: C22 H32 Ca Cl6 I2 N2 O10
• Title of publication: Multitopic Ligand Design: A Concept for Single-Source Precursors
• Authors of publication: Fabienne Gschwind; Olha Sereda; Katharina M. Fromm
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10535 - 10547
• a: 16.306 ± 0.003 Å
• b: 10.524 ± 0.002 Å
• c: 22.164 ± 0.004 Å
• α: 90°
• β: 91.43 ± 0.03°
• γ: 90°
• Cell volume: 3802.3 ± 1.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1175
• Residual factor for significantly intense reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.1774
• Weighted residual factors for all reflections included in the refinement: 0.1907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No