Crystallography Open Database

Information card for entry 7050934

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Coordinates	7050934.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H24 Cl2 N2.5
Calculated formula	C22 H24 Cl2 N2.5
Title of publication	Studies of the reactivity of N-heterocyclic carbenes with halogen and halide sources
Authors of publication	Cole, Marcus L.; Jones, Cameron; Junk, Peter C.
Journal of publication	New Journal of Chemistry
Year of publication	2002
Journal volume	26
Journal issue	10
Pages of publication	1296
a	10.242 ± 0.004 Å
b	17.141 ± 0.006 Å
c	16.496 ± 0.006 Å
α	90°
β	100.767 ± 0.008°
γ	90°
Cell volume	2845 ± 1.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1278
Residual factor for significantly intense reflections	0.0759
Weighted residual factors for significantly intense reflections	0.1946
Weighted residual factors for all reflections included in the refinement	0.2256
Goodness-of-fit parameter for all reflections included in the refinement	0.956
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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