Information card for entry 7060143

Structure parameters

• Formula: C14 H22 Fe N O3 P
• Calculated formula: C14 H22 Fe N O3 P
• SMILES: [Fe]12345678([c]9(C([NH+](C)C)C)[c]1([cH]2[cH]4[cH]39)P(=O)[O-])[cH]1[cH]6[cH]5[cH]8[cH]71.O
• Title of publication: First example of Ugi's amine as a platform for the construction of chiral coordination polymers: synthesis and properties
• Authors of publication: Gilmanova, Leisan; Shekurov, Ruslan; Khrizanforov, Mikhail; Ivshin, Kamil; Kataeva, Olga; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Vasily, Miluykov
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2791 - 2794
• a: 16.21 ± 0.008 Å
• b: 7.525 ± 0.004 Å
• c: 12.606 ± 0.006 Å
• α: 90°
• β: 97.855 ± 0.006°
• γ: 90°
• Cell volume: 1523.3 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1418
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No