Crystallography Open Database

Information card for entry 4112038

4112037 << 4112038 >> 4112039

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Coordinates	4112038.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H59 B Cl4 O4 Ru
Calculated formula	C51 H59 B Cl4 O4 Ru
Title of publication	Unprecedented Coordination Modes and Demetalation Pathways for Unbridged Polyenyl Ligands. Ruthenium η1,η4-Cycloheptadienyl Complexes from Allyl/Alkyne Cycloaddition
Authors of publication	Christina M. Older; Robert McDonald; Jeffrey M. Stryker
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	14202 - 14203
a	11.779 ± 0.002 Å
b	19.272 ± 0.006 Å
c	21.152 ± 0.007 Å
α	90°
β	92.46 ± 0.02°
γ	90°
Cell volume	4797 ± 2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 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	0.1983
Residual factor for significantly intense reflections	0.0975
Weighted residual factors for significantly intense reflections	0.2685
Weighted residual factors for all reflections included in the refinement	0.2227
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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