Information card for entry 1574570

Structure parameters

• Chemical name: Ammonium copper bromine formate
• Formula: C4 H8 Br4 Cu5 N O8
• Calculated formula: C4 H8 Br4 Cu5 N O8
• Title of publication: A competition between 2D and 3D magnetic orderings in novel mixed valent copper frameworks
• Authors of publication: Abusa, Yao; Greenfield, Joshua; Viswanathan, Gayatri; Goswami, Smitakshi; Ross, Emma; Yox, Philip; Oppong, Richeal; Ojo, Iyanu; Liu, Jifeng; Ozarowski, Andrew; Kovnir, Kirill
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 24
• Pages of publication: 11027 - 11038
• a: 11.4744 ± 0.0009 Å
• b: 11.478 ± 0.0009 Å
• c: 12.5186 ± 0.001 Å
• α: 90°
• β: 103.243 ± 0.001°
• γ: 90°
• Cell volume: 1604.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No