Crystallography Open Database

Information card for entry 7041415

Preview

Coordinates	7041415.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H74 Co4 K8 N8 O53
Calculated formula	C40 H74 Co4 K8 N8 O53
Title of publication	Unusual N-oxide formation in the peroxidation of cobalt(ii) ethylenediaminetetraacetates.
Authors of publication	Yang, Yu-Chen; Wu, Rui; Cai, Yan; Zhou, Zhao-Hui
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	4
Pages of publication	1290 - 1296
a	18.5061 ± 0.0005 Å
b	11.2747 ± 0.0003 Å
c	17.1975 ± 0.0004 Å
α	90°
β	98.944 ± 0.002°
γ	90°
Cell volume	3544.64 ± 0.16 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 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	0.0643
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1247
Weighted residual factors for all reflections included in the refinement	0.1382
Goodness-of-fit parameter for all reflections included in the refinement	0.88
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
191611 (current)	2017-02-04	cif/ Updating files of 7041415, 7041416, 7041417, 7041418 Original log message: Adding full bibliography for 7041415--7041418.cif.	7041415.cif
189093	2016-12-13	cif/ Adding structures of 7041415, 7041416, 7041417, 7041418 via cif-deposit CGI script.	7041415.cif