Crystallography Open Database

Information card for entry 7110713

Preview

Coordinates	7110713.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H15.5 Br2 Cl1.5 N2
Calculated formula	C23 H15.5 Br2 Cl1.5 N2
Title of publication	Clathrate formation between halogenated species
Authors of publication	Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	23
Pages of publication	2389
a	17.006 ± 0.009 Å
b	18.764 ± 0.004 Å
c	13.421 ± 0.007 Å
α	90°
β	92.05 ± 0.03°
γ	90°
Cell volume	4280 ± 3 Å³
Cell temperature	294 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 significantly intense reflections	0.059
Weighted residual factors for all reflections included in the refinement	0.069
Goodness-of-fit parameter for all reflections included in the refinement	2.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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