Crystallography Open Database

Information card for entry 4111775

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Coordinates	4111775.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53.29 H52.71 N2 O1.36 P2 Ru
Calculated formula	C53.29 H52.71 N2 O1.355 P2 Ru
Title of publication	Exceptionally Facile CO Addition to a Saturated Ruthenium Complex
Authors of publication	Christine Bibal; Yegor D. Smurnyy; Maren Pink; Kenneth G. Caulton
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	8944 - 8945
a	14.1027 ± 0.0013 Å
b	15.1314 ± 0.0014 Å
c	20.8888 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	4457.5 ± 0.7 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0339
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0717
Weighted residual factors for all reflections included in the refinement	0.0748
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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