Crystallography Open Database

Information card for entry 7046473

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Coordinates	7046473.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H56 Cl Cu N2 Se
Calculated formula	C69 H56 Cl Cu N2 Se
Title of publication	Coinage metal complexes of selenoureas derived from N-heterocyclic carbenes.
Authors of publication	Nahra, Fady; Van Hecke, Kristof; Kennedy, Alan R.; Nelson, David J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	31
Pages of publication	10671 - 10684
a	12.8581 ± 0.0007 Å
b	17.3981 ± 0.0009 Å
c	25.6343 ± 0.0015 Å
α	90°
β	103.042 ± 0.005°
γ	90°
Cell volume	5586.6 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0883
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.097
Weighted residual factors for all reflections included in the refinement	0.1157
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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