Information card for entry 7125402

Structure parameters

• Formula: C128 H156 Cl12 N24 Ni6 O24 Si8
• Calculated formula: C128 H120 Cl12 N24 Ni6 O18 Si8
• Title of publication: Photochemical hydrogen evolution from water by a 1D-network of octahedral Ni₆L₈ cages.
• Authors of publication: Kumar, Kilaparthi Sravan; Mane, Vishwanath S.; Yadav, Ashok; Kumbhar, Avinash S.; Boomishankar, Ramamoorthy
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2019
• Journal volume: 55
• Journal issue: 87
• Pages of publication: 13156 - 13159
• a: 22.724 ± 0.008 Å
• b: 22.724 ± 0.008 Å
• c: 16.435 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8487 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.1745
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.2341
• Weighted residual factors for all reflections included in the refinement: 0.2959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No