Information card for entry 8102340

Structure parameters

• Formula: C14 H14 N2 Ni O5 S2
• Calculated formula: C14 H14 N2 Ni O5 S2
• Title of publication: Crystal structure of catena-(bis(m2-4-pyridylthioacetato- N,O,O')-monoaqua)nickel(II), Ni(C7H6O2S)2(H2O)
• Authors of publication: Long Yan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 4
• Pages of publication: 443
• a: 17.0671 ± 0.0018 Å
• b: 5.811 ± 0.0006 Å
• c: 15.9001 ± 0.0017 Å
• α: 90°
• β: 97.672 ± 0.002°
• γ: 90°
• Cell volume: 1562.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No