Information card for entry 7206480

Structure parameters

• Formula: C85 H108 K2 Mo N17 Ni3 O14 S6
• Calculated formula: C85 H104 K2 Mo N17 Ni3 O14 S6
• Title of publication: Oligomeric and polymeric organizations of potassium salts with compartmental Schiff-base complexes as ligands
• Authors of publication: Mousavi, Maliheh; Béreau, Virginie; Costes, Jean-Pierre; Duhayon, Carine; Sutter, Jean-Pascal
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 19
• Pages of publication: 5908
• a: 23.3664 ± 0.0008 Å
• b: 37.452 ± 0.002 Å
• c: 12.1573 ± 0.0008 Å
• α: 90°
• β: 105.626 ± 0.006°
• γ: 90°
• Cell volume: 10245.9 ± 1 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 8
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1509
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections: 0.1563
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0872
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No