Crystallography Open Database

Information card for entry 4113436

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Coordinates	4113436.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H7 Cl Cu N O
Calculated formula	C8 H7 Cl Cu N O
Title of publication	Novel Cu(I) Dinuclear Complexes Containing μ2-η2,η2-Type Benzoquinone Ligand
Authors of publication	Shigeyuki Masaoka; George Akiyama; Satoshi Horike; Susumu Kitagawa; Tomohiko Ida; Kazunaka Endo
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	1152 - 1153
a	10.474 ± 0.007 Å
b	6.166 ± 0.004 Å
c	13.777 ± 0.009 Å
α	90°
β	110.312 ± 0.008°
γ	90°
Cell volume	834.4 ± 1 Å³
Cell 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 significantly intense reflections	0.029
Weighted residual factors for all reflections included in the refinement	0.0395
Goodness-of-fit parameter for all reflections included in the refinement	1.381
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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