Crystallography Open Database

Information card for entry 7241707

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Coordinates	7241707.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H20 Fe I2 N8 O2
Calculated formula	C18 H20 Fe I2 N8 O2
Title of publication	The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines
Authors of publication	Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir
Journal of publication	CrystEngComm
Year of publication	2020
Journal volume	22
Journal issue	46
Pages of publication	8142 - 8150
a	8.8231 ± 0.0004 Å
b	11.0729 ± 0.0003 Å
c	13.2703 ± 0.0007 Å
α	90°
β	106.027 ± 0.005°
γ	90°
Cell volume	1246.08 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.047
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0637
Weighted residual factors for all reflections included in the refinement	0.0661
Goodness-of-fit parameter for all reflections included in the refinement	0.872
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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