Information card for entry 1574573

Structure parameters

• Common name: Sodium copper bromine formate
• Formula: C4 H4 Br4 Cu5 Na O8
• Calculated formula: C4 H4 Br4 Cu5 Na 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: 12.1357 ± 0.0007 Å
• b: 11.1746 ± 0.0005 Å
• c: 11.1684 ± 0.0006 Å
• α: 90°
• β: 103.214 ± 0.002°
• γ: 90°
• Cell volume: 1474.46 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No