Crystallography Open Database

Information card for entry 7013273

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Coordinates	7013273.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H66 Cl4 Co2 F6 N O4 P5 Ru
Calculated formula	C81 H64 Cl4 Co2 F6 N O4 P5 Ru
Title of publication	Cyanoacetylenes and cyanoacetylides: versatile ligands in organometallic chemistry
Authors of publication	Richard L. Cordiner; Deborah Corcoran; Dmitri S. Yufit; Andrés E. Goeta; Judith A. K. Howard; Paul J. Low
Journal of publication	Dalton Trans.
Year of publication	2003
Journal issue	18
Pages of publication	3541 - 3549
a	11.7464 ± 0.0007 Å
b	17.3929 ± 0.001 Å
c	21.8925 ± 0.0013 Å
α	71.121 ± 0.003°
β	76.244 ± 0.002°
γ	73.405 ± 0.002°
Cell volume	4003.4 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0706
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.136
Weighted residual factors for all reflections included in the refinement	0.1486
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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