Information card for entry 7023015

Structure parameters

• Formula: C14 H14 Fe N6 P2
• Calculated formula: C14 H14 Fe N6 P2
• SMILES: [Fe]12345678([c]9(n%10pc(nn%10)C)[cH]1[cH]2[cH]3[cH]49)[c]1(n2pc(nn2)C)[cH]5[cH]6[cH]7[cH]81
• Title of publication: The facile assembly of bis-, tris- and poly(triazaphosphole) systems using "click" chemistry.
• Authors of publication: Choong, Sam L.; Nafady, Ayman; Stasch, Andreas; Bond, Alan M.; Jones, Cameron
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 21
• Pages of publication: 7775 - 7780
• a: 9.184 ± 0.0018 Å
• b: 13.517 ± 0.003 Å
• c: 12.433 ± 0.003 Å
• α: 90°
• β: 91.27 ± 0.03°
• γ: 90°
• Cell volume: 1543.1 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.0545
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No