Crystallography Open Database

Information card for entry 7111173

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Coordinates	7111173.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H31 Cl4 Cu N5 O8
Calculated formula	C31.004 H31.006 Cl4 Cu N5 O8
Title of publication	Structural studies on dicopper(ii) compounds with catechol oxidase activity
Authors of publication	Börzel, Heidi; Comba, Peter; Pritzkow, Hans
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	1
Pages of publication	97
a	16.5741 ± 0.0009 Å
b	13.5311 ± 0.0007 Å
c	16.0711 ± 0.0008 Å
α	90°
β	110.439 ± 0.001°
γ	90°
Cell volume	3377.3 ± 0.3 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	0.0644
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.1057
Weighted residual factors for all reflections included in the refinement	0.1176
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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