Information card for entry 7201445

Structure parameters

• Formula: C22 H17 N6 Ni O2 S2
• Calculated formula: C22 H17 N6 Ni O2 S2
• Title of publication: Combination between metal–ligand coordination and hydrogen bond interaction: a facile route for the construction of 3D coordination networks with the ability to include relatively large aromatic molecules
• Authors of publication: Sekiya, Ryo; Nishikiori, Shin-ichi; Kuroda, Reiko
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 2251
• a: 32.418 ± 0.003 Å
• b: 9.5238 ± 0.0008 Å
• c: 15.9371 ± 0.0016 Å
• α: 90°
• β: 118.442 ± 0.005°
• γ: 90°
• Cell volume: 4326.6 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1617
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 0.846
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No