Information card for entry 7001968

Structure parameters

• Formula: C53 H67 Fe N7 Si2
• Calculated formula: C53 H67 Fe N7 Si2
• SMILES: c1(c(cccc1C(C)C)C(C)C)N1C2N(C=C1)c1[n]3[Fe]=2([N]#N)([SiH2]c2c(cc(cc2C)C)C)(=C2N(c4c(cccc4C(C)C)C(C)C)C=CN2c3ccc1)[SiH2]c1c(cc(cc1C)C)C
• Title of publication: Reactions of ‘pincer’ pyridine dicarbene complexes of Fe(0) with silanes
• Authors of publication: Pugh, David; Wells, Neil J.; Evans, David J.; Danopoulos, Andreas A.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 7189
• a: 19.556 ± 0.005 Å
• b: 17.102 ± 0.005 Å
• c: 15.405 ± 0.004 Å
• α: 90°
• β: 107.316 ± 0.003°
• γ: 90°
• Cell volume: 4919 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1131
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1901
• Weighted residual factors for all reflections included in the refinement: 0.2172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.7977 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No