Crystallography Open Database

Information card for entry 7241711

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Coordinates	7241711.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H44 Br8 Fe3 N26
Calculated formula	C58 H43 Br8 Fe3 N26
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	19.931 ± 0.002 Å
b	12.6943 ± 0.0014 Å
c	30.341 ± 0.003 Å
α	90°
β	93.819 ± 0.008°
γ	90°
Cell volume	7659.5 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2114
Residual factor for significantly intense reflections	0.1075
Weighted residual factors for significantly intense reflections	0.2808
Weighted residual factors for all reflections included in the refinement	0.3679
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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