Information card for entry 7016597

Structure parameters

• Formula: C73 H62 As3 B F2 Fe N4
• Calculated formula: C73 H62.001 As3 B F1.999 Fe N4
• 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: 15.65 ± 0.0003 Å
• b: 14.7771 ± 0.0004 Å
• c: 27.3245 ± 0.0005 Å
• α: 90°
• β: 102.417 ± 0.002°
• γ: 90°
• Cell volume: 6171.3 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1251
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.2585
• Weighted residual factors for all reflections included in the refinement: 0.3029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No