Crystallography Open Database

Information card for entry 7117208

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Coordinates	7117208.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63.5 H57 Cl5 P4 Ru
Calculated formula	C63.5 H57 Cl5 P4 Ru
Title of publication	Rapid Markovnikov addition of HCl to a pendant alkyne: evidence for a quinoidal cumulene
Authors of publication	Samantha G. Eaves; Sam J. Hart; Adrian C. Whitwood; Dmitry S. Yufit; Paul J. Low; Jason M. Lynam
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	9362
a	11.3506 ± 0.0003 Å
b	12.3819 ± 0.0003 Å
c	21.4222 ± 0.0005 Å
α	80.7264 ± 0.0018°
β	74.684 ± 0.002°
γ	83.7147 ± 0.0019°
Cell volume	2858.75 ± 0.13 Å³
Cell temperature	110.05 ± 0.1 K
Ambient diffraction temperature	110.05 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0944
Weighted residual factors for all reflections included in the refinement	0.1011
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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