Information card for entry 7057712

Structure parameters

• Formula: C37 H58 Cl2 N6 Ni4 O14 S2
• Calculated formula: C37 H58 Cl2 N6 Ni4 O14 S2
• Title of publication: Anion coordination directed synthesis patterns for [Ni4] aggregates: structural changes for thiocyanate coordination and ligand arm hydrolysis
• Authors of publication: Das, Manisha; Herchel, Radovan; Trávníček, Zdeněk; Bertolasi, Valerio; Ray, Debashis
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 20
• Pages of publication: 16717
• a: 11.8297 ± 0.0004 Å
• b: 13.0777 ± 0.0005 Å
• c: 19.8873 ± 0.0005 Å
• α: 89.971 ± 0.0017°
• β: 74.677 ± 0.0015°
• γ: 64.969 ± 0.0012°
• Cell volume: 2666.71 ± 0.16 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.0909
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.195
• Weighted residual factors for all reflections included in the refinement: 0.222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No