Crystallography Open Database

Information card for entry 4111615

Preview

Coordinates	4111615.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C129 H144 B2 Cu2 N14 O11
Calculated formula	C129 H106 B2 Cu2 N14 O11
Title of publication	Synthesis and Reactivity of a (μ-1,1-Hydroperoxo)(μ-hydroxo)dicopper(II) Complex: Ligand Hydroxylation by a Bridging Hydroperoxo Ligand
Authors of publication	Kyosuke Itoh; Hideki Hayashi; Hideki Furutachi; Takahiro Matsumoto; Shigenori Nagatomo; Takehiko Tosha; Shoichi Terada; Shuhei Fujinami; Masatatsu Suzuki; Teizo Kitagawa
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	5212 - 5223
a	14.023 ± 0.005 Å
b	15.81 ± 0.006 Å
c	17.194 ± 0.007 Å
α	104.038 ± 0.007°
β	101.808 ± 0.007°
γ	105.329 ± 0.008°
Cell volume	3416 ± 2 Å³
Cell temperature	123.2 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 significantly intense reflections	0.0883
Weighted residual factors for all reflections included in the refinement	0.1331
Goodness-of-fit parameter for all reflections included in the refinement	1.89
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4111615.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111615.cif
63216	2012-07-19	cif/ Adding structures of 4111615 via cif-deposit CGI script.	4111615.cif