Crystallography Open Database

Information card for entry 4111997

4111996 << 4111997 >> 4111998

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Coordinates	4111997.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H38 Cl F3 N3 O9 Ru
Calculated formula	C19 H36 Cl F3 N3 O9 Ru
Title of publication	Alkene cis-Dihydroxylation by [(Me3tacn)(CF3CO2)RuVIO2]ClO4 (Me3tacn = 1,4,7-Trimethyl-1,4,7-triazacyclononane): Structural Characterization of [3 + 2] Cycloadducts and Kinetic Studies
Authors of publication	Wing-Ping Yip; Wing-Yiu Yu; Nianyong Zhu; Chi-Ming Che
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	14239 - 14249
a	17.884 ± 0.004 Å
b	10.427 ± 0.002 Å
c	14.204 ± 0.003 Å
α	90°
β	103.6 ± 0.03°
γ	90°
Cell volume	2574.4 ± 1 Å³
Cell temperature	253 ± 2 K
Ambient diffraction temperature	253 ± 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	0.0819
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1154
Weighted residual factors for all reflections included in the refinement	0.1331
Goodness-of-fit parameter for all reflections included in the refinement	0.935
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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