Information card for entry 7016596

Structure parameters

• Formula: C73 H62 B F2 Fe N4 P3
• Calculated formula: C73 H61.99 B F2.01 Fe N4 P3
• Title of publication: Iron(ii) template synthesis of benzannulated triphospha- and triarsamacrocycles.
• Authors of publication: Albers, Thomas; Baker Neé Johnstone, Julia; Coles, Simon J.; Edwards, Peter G.; Kariuki, Benson; Newman, Paul D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 37
• Pages of publication: 9525 - 9532
• a: 15.6204 ± 0.0003 Å
• b: 14.705 ± 0.0003 Å
• c: 27.088 ± 0.0006 Å
• α: 90°
• β: 102.69 ± 0.001°
• γ: 90°
• Cell volume: 6070.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.1707
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.1946
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No