Information card for entry 2313006

Structure parameters

• Chemical name: <i>fac</i>-[3-Bromo-6-(1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)pyridazine-κ<i>N</i>^1^]tricarbonylchloridorhenium dimethylformamide monosolvate
• Formula: C13 H12 Br Cl N5 O4 Re
• Calculated formula: C13 H12 Br Cl N5 O4 Re
• Title of publication: Synthesis and crystal structure of <i>fac</i>-[3-bromo-6-(1<i>H</i>-pyrazol-1-yl-κ<i>N</i> ²)pyridazine-κ<i>N</i> ¹]tri-carbonyl-chlorido-rhenium di-methyl-formamide monosolvate.
• Authors of publication: D; o; n; o; s; o; ,; ; D; u; v; a; l; |; ; B; i; g; e; t; ,; ; N; i; c; o; l; &; #; x; e; 1; s |; P i z a r r o ,; N a n c y |; V e g a ,; A n d r & '#' x e 9; s
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2026
• Journal volume: 82
• Journal issue: Pt 7
• Pages of publication: 845 - 848
• a: 7.2454 ± 0.0017 Å
• b: 11.136 ± 0.003 Å
• c: 11.426 ± 0.003 Å
• α: 90.941 ± 0.006°
• β: 93.728 ± 0.006°
• γ: 102.141 ± 0.006°
• Cell volume: 898.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0259
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No