Crystallography Open Database

Information card for entry 7700729

Preview

Coordinates	7700729.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H106 Cl2 Cu4 N8 Na10 O65
Calculated formula	C44 H106 Cl2 Cu4 N8 Na10 O64.9998
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	12.9325 ± 0.0011 Å
b	13.1643 ± 0.0012 Å
c	15.1474 ± 0.0014 Å
α	75.231 ± 0.008°
β	65.229 ± 0.009°
γ	77.057 ± 0.008°
Cell volume	2243.9 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1413
Residual factor for significantly intense reflections	0.0815
Weighted residual factors for significantly intense reflections	0.2102
Weighted residual factors for all reflections included in the refinement	0.2655
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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.	7700729.cif
217411	2019-08-06	cif/ Adding structures of 7700725, 7700726, 7700727, 7700728, 7700729 via cif-deposit CGI script.	7700729.cif