Crystallography Open Database

Information card for entry 8106729

Preview

Coordinates	8106729.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H17 Cl N2 O10 Sn
Calculated formula	C10 H17 Cl N2 O10 Sn
SMILES	[Sn]12345(Cl)OC(=O)C[N]4(CC(=O)O1)CC[N]5(CC(=O)O2)CC(=O)O3.O.[OH3+]
Title of publication	The crystal structure of oxonium chlorido-ethylenediaminetetraactetotin(IV) hydrate, C10H17ClN2O10Sn
Authors of publication	Fu, Zhihai; Chen, Bo; He, Aidang; Lv, Xia; Wei, Xin; Feng, Xiaojie; Huang, Chao; Xia, ChuanQin; Jin, Yongdong
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	6
Pages of publication	941 - 942
a	6.6666 ± 0.0003 Å
b	6.6892 ± 0.0004 Å
c	8.8779 ± 0.0006 Å
α	101.34 ± 0.005°
β	99.624 ± 0.005°
γ	91.279 ± 0.004°
Cell volume	382.09 ± 0.04 Å³
Cell temperature	294.28 ± 0.15 K
Ambient diffraction temperature	294.28 ± 0.15 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0318
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0725
Weighted residual factors for all reflections included in the refinement	0.0726
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation probe	x-ray
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
280830 (current)	2023-02-08	cif/ Adding structures of 8106729 via cif-deposit CGI script.	8106729.cif