Crystallography Open Database

Information card for entry 4117909

Preview

Coordinates	4117909.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H16 F6 O5 Ru
Calculated formula	C14 H14 F6 O5 Ru
Title of publication	Highly Selective Intramolecular Carbene Insertion into Primary C-H Bond of α-Diazoacetamides Mediated by a (p-Cymene)ruthenium(II) Carboxylate Complex
Authors of publication	Vanessa Kar-Yan Lo; Zhen Guo; Matthew Kwok-Wai Choi; Wing-Yiu Yu; Jie-Sheng Huang; Chi-Ming Che
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	7588 - 7591
a	9.466 ± 0.0019 Å
b	19.36 ± 0.004 Å
c	10.995 ± 0.002 Å
α	90°
β	110.29 ± 0.03°
γ	90°
Cell volume	1889.9 ± 0.7 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 2 K
Number of distinct elements	5
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	0.0659
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1486
Weighted residual factors for all reflections included in the refinement	0.1563
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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