Crystallography Open Database

Information card for entry 7013275

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Coordinates	7013275.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H36 Cl3 F6 N2 P3 Ru
Calculated formula	C45 H36 Cl3 F6 N2 P3 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	10.0332 ± 0.0004 Å
b	20.3162 ± 0.0009 Å
c	20.6003 ± 0.0009 Å
α	90°
β	101.213 ± 0.002°
γ	90°
Cell volume	4118.9 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
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	0.1195
Residual factor for significantly intense reflections	0.0793
Weighted residual factors for significantly intense reflections	0.243
Weighted residual factors for all reflections included in the refinement	0.2672
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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