Information card for entry 7204704

Structure parameters

• Formula: C38 H32 Fe Hg I4 N6 O2 S
• Calculated formula: C38 H30 Fe Hg I4 N6 O2 S
• Title of publication: Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?
• Authors of publication: Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian
• Journal of publication: CrystEngComm
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 49
• Pages of publication: 285
• a: 11.442 ± 0.011 Å
• b: 12.816 ± 0.007 Å
• c: 14.937 ± 0.009 Å
• α: 82.22 ± 0.04°
• β: 81.78 ± 0.04°
• γ: 82.97 ± 0.04°
• Cell volume: 2136 ± 3 ų
• Cell temperature: 294 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 significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.67
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No