Information card for entry 4338672

Structure parameters

• Formula: C18 H40 Cl2 Fe N2 P2
• Calculated formula: C18 H40 Cl2 Fe N2 P2
• Title of publication: Flexible Binding of PNP Pincer Ligands to Monomeric Iron Complexes.
• Authors of publication: Fillman, Kathlyn L.; Bielinski, Elizabeth A.; Schmeier, Timothy J.; Nesvet, Jared C.; Woodruff, Tessa M.; Pan, Cassie J.; Takase, Michael K.; Hazari, Nilay; Neidig, Michael L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 6066 - 6072
• a: 11.8314 ± 0.0012 Å
• b: 13.5236 ± 0.0014 Å
• c: 31.565 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5050.5 ± 0.9 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0907
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No