Information card for entry 7227110

Structure parameters

• Formula: C13 H23 Br2 Cl2 N7 O4 Zn2
• Calculated formula: C13 H23 Br1.9998 Cl1.9998 N7 O4 Zn1.9999
• Title of publication: Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).
• Authors of publication: Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 46
• Pages of publication: 31653 - 31663
• a: 7.5332 ± 0.0004 Å
• b: 11.2812 ± 0.0005 Å
• c: 15.5208 ± 0.0006 Å
• α: 101.693 ± 0.004°
• β: 98.883 ± 0.004°
• γ: 105.224 ± 0.004°
• Cell volume: 1215.85 ± 0.11 ų
• Cell temperature: 120 ± 0.14 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for significantly intense reflections: 1.74
• Goodness-of-fit parameter for all reflections included in the refinement: 1.65
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No