Information card for entry 7241005

Structure parameters

• Formula: C22 H26 Br2 N4 O0.31 Se1.69 Zn
• Calculated formula: C22 H26 Br2 N4 O0.31 Se1.69 Zn
• Title of publication: Catalytically active coordination polymer with a tiny Zn2Se2 ring bridged by bis-selone
• Authors of publication: Maruthupandi, Mannarsamy; Prabusankar, Ganesan
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 48
• Pages of publication: 28950 - 28957
• a: 17.2917 ± 0.0005 Å
• b: 9.421 ± 0.0004 Å
• c: 16.2331 ± 0.0005 Å
• α: 90°
• β: 93.499 ± 0.003°
• γ: 90°
• Cell volume: 2639.53 ± 0.16 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No