Information card for entry 4079198

Structure parameters

• Formula: C15 H20 Fe N3 P
• Calculated formula: C15 H20 Fe N3 P
• SMILES: [Fe]12345678([c]9%10P(N(C)C)C(=N[c]19[cH]2[cH]3[cH]4%10)N(C)C)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: First Annelated Azaphosphole-Ferrocenes: Synthetic Pathways and Structures
• Authors of publication: Marchenko, Anatolyi; Hurieva, Anastasiya; Koidan, Heorgii; Rampazzi, Vincent; Cattey, Hélène; Pirio, Nadine; Kostyuk, Aleksandr N.; Hierso, Jean-Cyrille
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 17
• Pages of publication: 5986
• a: 20.1608 ± 0.0005 Å
• b: 11.2594 ± 0.0004 Å
• c: 13.2055 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2997.63 ± 0.16 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0252
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No