Information card for entry 4330453

Structure parameters

• Formula: C55.5 H57 B Cl2 Fe N6 O S
• Calculated formula: C55.5 H57 B Cl2 Fe N6 O S
• Title of publication: Synthesis of a FeIISH Complex Stabilized by an Intramolecular N-H...S Hydrogen Bond, Which Acts as a H2S Donor
• Authors of publication: Erwan Galardon; Thomas Roger; Patrick Deschamps; Pascal Roussel; Alain Tomas; Isabelle Artaud
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10068 - 10070
• a: 11.567 ± 0.0003 Å
• b: 13.1673 ± 0.0003 Å
• c: 17.9318 ± 0.0004 Å
• α: 91.589 ± 0.001°
• β: 104.031 ± 0.001°
• γ: 109.794 ± 0.001°
• Cell volume: 2474.98 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No