Crystallography Open Database

Information card for entry 1576812

Preview

Coordinates	1576812.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H15 Cl4 N2 O2 Ru
Calculated formula	C10 H15 Cl4 N2 O2 Ru
Title of publication	Unraveling the coordination isomerism by ligand hyperfine NMR shifts.
Authors of publication	Cidlinská, Dora; Chyba, Jan; Munzarová, Markéta; Yurenko, Yevgen; Novotný, Jan; Marek, Radek
Journal of publication	Chemical science
Year of publication	2026
Journal volume	17
Journal issue	18
Pages of publication	9042 - 9048
a	7.70943 ± 0.00012 Å
b	8.63316 ± 0.00011 Å
c	25.6307 ± 0.0002 Å
α	86.5353 ± 0.0009°
β	86.7221 ± 0.001°
γ	81.2162 ± 0.0012°
Cell volume	1680.82 ± 0.04 Å³
Cell temperature	119.98 ± 0.1 K
Ambient diffraction temperature	119.98 ± 0.1 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	0.0369
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0965
Weighted residual factors for all reflections included in the refinement	0.0977
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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