Information card for entry 7061101

Structure parameters

• Formula: C25 H31 Cl N3 P Se
• Calculated formula: C25 H31 Cl N3 P Se
• Title of publication: Coordination behaviour of a hybrid phosphinoguanidine ligand
• Authors of publication: Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 1060 - 1071
• a: 11.1802 ± 0.0002 Å
• b: 13.5729 ± 0.0002 Å
• c: 33.3512 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5060.97 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No