Information card for entry 4511734

Structure parameters

• Common name: Cu,Mn-2-mercaptonicotinic acid
• Formula: C36 H54 Cu6 Mn3 N6 O30 S6
• Calculated formula: C36 H54 Cu6 Mn3 N6 O30 S6
• Title of publication: Stepwise Crystallization: Illustrative Examples of the Use of Metalloligands [Cu6(mna)6]6‒and [Ag6(Hmna)2(mna)4]4‒(H2mna= 2-Mercapto Nicotinic Acid) in the Formation of Heterometallic Two- and Three-Dimensional Assemblies withbrucite,pcu, andsqlTopologies
• Authors of publication: Kundu, Tanaya; Jana, Ajay Kumar; Natarajan, Srinivasan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 4531
• a: 12.4305 ± 0.0004 Å
• b: 12.4305 ± 0.0004 Å
• c: 33.8994 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4536.3 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No