Information card for entry 7251573

Structure parameters

• Formula: C32 H21 Ba4 Cl N4 O16
• Calculated formula: C32 H21 Ba4 Cl N4 O16
• Title of publication: Unprecedented 3D-coordination polymeric frameworks of 5-aminoisophthalate with alkaline earth metals (Sr and Ba): catalytic and luminescent properties
• Authors of publication: Singh, Atom Rajiv; Rajpurohit, Anil Singh; Sharma, Aribam Rishikanta; Jaccob, Madhavan; Laishram, Raju; Lonibala, Rajkumari
• Journal of publication: CrystEngComm
• Year of publication: 2026
• Journal volume: 28
• Journal issue: 8
• Pages of publication: 1431 - 1443
• a: 7.521 ± 0.0002 Å
• b: 9.8113 ± 0.0002 Å
• c: 12.5148 ± 0.0003 Å
• α: 76.429 ± 0.001°
• β: 87.09 ± 0.001°
• γ: 73.427 ± 0.001°
• Cell volume: 860.27 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0418
• Weighted residual factors for all reflections included in the refinement: 0.0456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No