Crystallography Open Database

Information card for entry 4332636

Preview

Coordinates	4332636.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H90 Cl4 Cu4 N18 O20
Calculated formula	C80 H90 Cl4 Cu4 N18 O20
Title of publication	Reactivity Study of a Hydroperoxodicopper(II) Complex: Hydroxylation, Dehydrogenation, and Ligand Cross-Link Reactions
Authors of publication	Li, Lei; Sarjeant, Amy A. Narducci; Karlin, Kenneth D.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	18
Pages of publication	7160 - 7172
a	11.9993 ± 0.001 Å
b	13.408 ± 0.0011 Å
c	16.1375 ± 0.0017 Å
α	106.197 ± 0.008°
β	109.379 ± 0.009°
γ	100.108 ± 0.007°
Cell volume	2246.7 ± 0.4 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 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	0.1068
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1248
Weighted residual factors for all reflections included in the refinement	0.1401
Goodness-of-fit parameter for all reflections included in the refinement	0.91
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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