Crystallography Open Database

Information card for entry 7128491

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Coordinates	7128491.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H44 Cl N3 O4 Ru
Calculated formula	C33 H44 Cl N3 O4 Ru
Title of publication	Uncommon carbene-to-azole ligand rearrangement of N-heterocyclic carbenes in a ruthenium system.
Authors of publication	Zhang, Bo; Duan, Yu'ai; Zhang, Xin; Guo, Shuai
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	56
Pages of publication	6879 - 6882
a	9.2936 ± 0.0002 Å
b	13.2026 ± 0.0003 Å
c	15.1517 ± 0.0003 Å
α	70.654 ± 0.002°
β	83.062 ± 0.002°
γ	74.253 ± 0.002°
Cell volume	1687.32 ± 0.07 Å³
Cell temperature	294.7 ± 0.4 K
Ambient diffraction temperature	294.7 ± 0.4 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0396
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0837
Weighted residual factors for all reflections included in the refinement	0.0869
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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