Crystallography Open Database

Information card for entry 7230828

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Coordinates	7230828.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H16 Cl2 Co F8 I2 N4
Calculated formula	C28 H16 Cl2 Co F8 I2 N4
Title of publication	Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif
Authors of publication	Lisac, Katarina; Cinčić, Dominik
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	39
Pages of publication	5955
a	13.7036 ± 0.0012 Å
b	15.5273 ± 0.001 Å
c	15.8979 ± 0.0011 Å
α	90°
β	111.746 ± 0.009°
γ	90°
Cell volume	3142 ± 0.5 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0713
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.1486
Weighted residual factors for all reflections included in the refinement	0.1582
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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