Crystallography Open Database

Information card for entry 7050681

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Coordinates	7050681.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H28 Cl Cu N4 O4
Calculated formula	C40 H28 Cl Cu N4 O4
Title of publication	Chemistry of the copper(I)‒water bond. Some new observations
Authors of publication	Naskar, Jnan P.; Chowdhury, Shubhamoy; Drew, Michael G. B.; Datta, Dipankar
Journal of publication	New Journal of Chemistry
Year of publication	2002
Journal volume	26
Journal issue	1
Pages of publication	170
a	11.052 ± 0.014 Å
b	11.696 ± 0.014 Å
c	14.049 ± 0.017 Å
α	78.445 ± 0.01°
β	74.361 ± 0.01°
γ	73.854 ± 0.01°
Cell volume	1664 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1829
Residual factor for significantly intense reflections	0.1162
Weighted residual factors for significantly intense reflections	0.3027
Weighted residual factors for all reflections included in the refinement	0.3402
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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