Information card for entry 4316273

Structure parameters

• Formula: C48 H50 B Cl Fe N4
• Calculated formula: C48 H50 B Cl Fe N4
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.c12ccccc1[N](C)(C)[Fe]13(Cl)[N]2(c2ccccc2[N]3(C)C)c2ccccc2[N]1(C)C
• Title of publication: Transition Metal Complexes Supported by a Neutral Tetraamine Ligand Containing N,N-dimethylaniline Units
• Authors of publication: Lei Chu; Kenneth I. Hardcastle; Cora E. MacBeth
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7521 - 7529
• a: 10.066 ± 0.011 Å
• b: 11.957 ± 0.013 Å
• c: 17.111 ± 0.018 Å
• α: 90°
• β: 99.318 ± 0.018°
• γ: 90°
• Cell volume: 2032 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1963
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No