Information card for entry 4511735

Structure parameters

• Common name: Cu,Mn-2mercaptonicotinic acid red
• Formula: C18 H24 Cu3 Mn2 N3 O16 S3
• Calculated formula: C18 H24 Cu3 Mn2 N3 O16 S3
• 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: 12.3484 ± 0.0006 Å
• b: 12.466 ± 0.0005 Å
• c: 14.098 ± 0.0008 Å
• α: 97.148 ± 0.004°
• β: 108.384 ± 0.005°
• γ: 119.315 ± 0.005°
• Cell volume: 1690.7 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0382
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No