Information card for entry 7214829

Structure parameters

• Formula: C38.5 H58 Cl N11 Ni4 O7.5 S3
• Calculated formula: C38.5 H58 Cl N11 Ni4 O7.5 S3
• Title of publication: Mono-, Tetra- and octanuclear transition metal complexes of in situ generated schiff base ligands containing up to 12 coordinating atoms: syntheses, structures and magnetism
• Authors of publication: Ding, Cai-Xia; Ni, Jia; Yang, Yu-Hua; Ng, Seik-Weng; Wang, Bing-Wu; Xie, Yong-Shu
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 21
• Pages of publication: 7312
• a: 15.1068 ± 0.0016 Å
• b: 17.4396 ± 0.0018 Å
• c: 20.834 ± 0.002 Å
• α: 90°
• β: 92.055 ± 0.001°
• γ: 90°
• Cell volume: 5485.3 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1957
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1671
• Weighted residual factors for all reflections included in the refinement: 0.264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No