Information card for entry 7232644

Structure parameters

• Formula: C14 H21 N4 Ni O9 S1.5
• Calculated formula: C14 H21 N4 Ni O9 S1.5
• Title of publication: Solvent-Free Synthesis and Reactivity of Nickel(II) Borohydride and Nickel(II) Hydride
• Authors of publication: Angamuthu, Raja; Raje, Sakthi
• Journal of publication: Green Chemistry
• Year of publication: 2019
• a: 21.7139 ± 0.0016 Å
• b: 11.0715 ± 0.0008 Å
• c: 16.0808 ± 0.0012 Å
• α: 90°
• β: 100.803 ± 0.002°
• γ: 90°
• Cell volume: 3797.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0965
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No