Crystallography Open Database

Information card for entry 4107448

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Coordinates	4107448.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H36 B Co F4 Si
Calculated formula	C26 H36 B Co F4 Si
Title of publication	Cobalt-Mediated η5-Pentadienyl/Alkyne [5 + 2] Cycloaddition. Synthesis and Characterization of Unbridged η2,η3-Coordinated Cycloheptadienyl Complexes
Authors of publication	Ross D. Witherell; Kai E. O. Ylijoki; Jeffrey M. Stryker
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	2176 - 2177
a	9.8585 ± 0.001 Å
b	11.2388 ± 0.0011 Å
c	23.172 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2567.4 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0322
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0876
Weighted residual factors for all reflections included in the refinement	0.0884
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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