Crystallography Open Database

Information card for entry 7700726

Preview

Coordinates	7700726.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H57.94 Cu2 N4 Na4 O36.97
Calculated formula	C20 H57.9452 Cu2 N4 Na4 O36.9726
Title of publication	Formation of N-oxido copper ethylenediaminetetraacetate and propanediaminetetraacetate and their selective degradation to iminodiacetate and propanediaminediacetate.
Authors of publication	Yang, Yu-Chen; Wu, Rui; Yang, Min; Chen, Xi; Weng, Wei-Zheng; Zhou, Zhao-Hui
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	35
Pages of publication	13388 - 13395
a	7.8006 ± 0.0017 Å
b	12.011 ± 0.003 Å
c	13.142 ± 0.002 Å
α	66.43 ± 0.019°
β	80.613 ± 0.016°
γ	81.048 ± 0.019°
Cell volume	1107.9 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0831
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1071
Weighted residual factors for all reflections included in the refinement	0.1216
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224491 (current)	2019-11-08	cif/ Updating files of 7700725, 7700726, 7700727, 7700728, 7700729 Original log message: Adding full bibliography for 7700725--7700729.cif.	7700726.cif
217411	2019-08-06	cif/ Adding structures of 7700725, 7700726, 7700727, 7700728, 7700729 via cif-deposit CGI script.	7700726.cif