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Information card for entry 4106893
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Coordinates | 4106893.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [Ca(LDipp)Fp(THF)2]2 |
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Formula | C88 H122 Ca2 Fe2 N4 O8 |
Calculated formula | C88 H122 Ca2 Fe2 N4 O8 |
Title of publication | Heterobimetallic Complexes Containing Ca-Fe or Yb-Fe Bonds: Synthesis and Molecular and Electronic Structures of [M{CpFe(CO)2}2(THF)3]2 (M = Ca or Yb) |
Authors of publication | Matthew P. Blake; Nikolas Kaltsoyannis; Philip Mountford |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 15358 - 15361 |
a | 12.9009 ± 0.0001 Å |
b | 21.4323 ± 0.0002 Å |
c | 16.2355 ± 0.0001 Å |
α | 90° |
β | 109.763 ± 0.0004° |
γ | 90° |
Cell volume | 4224.64 ± 0.06 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.049 |
Residual factor for significantly intense reflections | 0.0375 |
Weighted residual factors for all reflections | 0.0436 |
Weighted residual factors for significantly intense reflections | 0.0372 |
Weighted residual factors for all reflections included in the refinement | 0.0363 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0939 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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