Information card for entry 7005005

Structure parameters

• Formula: C12 H32 Cl2 Fe N2 O7 P4
• Calculated formula: C12 H32 Cl2 Fe N2 O7 P4
• SMILES: [Fe]123([P](CO)(CO)CN4C[P]1(CO)CN(C[P]2(CO)C4)C[P]3(CO)CO)(Cl)Cl.O
• Title of publication: Substitution and derivatization reactions of a water soluble iron(II) complex containing a self-assembled tetradentate phosphine ligand.
• Authors of publication: Burrows, Andrew D.; Dodds, Deborah; Kirk, Andrew S.; Lowe, John P.; Mahon, Mary F.; Warren, John E.; Whittlesey, Michael K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 5
• Pages of publication: 570 - 580
• a: 8.002 ± 0.0001 Å
• b: 17.335 ± 0.0002 Å
• c: 15.644 ± 0.0002 Å
• α: 90°
• β: 101.004 ± 0.001°
• γ: 90°
• Cell volume: 2130.15 ± 0.05 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No