Crystallography Open Database

Information card for entry 7234218

Preview

Coordinates	7234218.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(4-Cyanopyridine)-(h6-p-cymene)-dichloro-ruthenium(ii) 1,4-diiodo-tetrafluorobenzene
Formula	C22 H18 Cl2 F4 I2 N2 Ru
Calculated formula	C22 H18 Cl2 F4 I2 N2 Ru
Title of publication	The Energy Frameworks of Aufbau Synthon Modules in 4-Cyanopyridine Co-crystals.
Authors of publication	Torubaev, Yury; Skabitskiy, Ivan V.
Journal of publication	CrystEngComm
Year of publication	2019
a	25.095 ± 0.002 Å
b	11.2129 ± 0.0011 Å
c	9.1348 ± 0.0008 Å
α	90°
β	95.251 ± 0.002°
γ	90°
Cell volume	2559.6 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.031
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0451
Weighted residual factors for all reflections included in the refinement	0.0469
Goodness-of-fit parameter for all reflections included in the refinement	0.957
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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