Crystallography Open Database

Information card for entry 4309120

Preview

Coordinates	4309120.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H13 Cd N O9
Calculated formula	C6 H13 Cd N O9
Title of publication	pH-Specific Aqueous Synthetic Chemistry in the Binary Cadmium(II)-Citrate System. Gaining Insight into Cadmium(II)-Citrate Speciation with Relevance to Cadmium Toxicity
Authors of publication	E. T. Kefalas; M. Dakanali; P. Panagiotidis; C. P. Raptopoulou; A. Terzis; T. Mavromoustakos; I. Kyrikou; N. Karligiano; A. Bino; A. Salifoglou
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	4818 - 4828
a	9.686 ± 0.004 Å
b	8.484 ± 0.004 Å
c	7.035 ± 0.003 Å
α	90°
β	110.28 ± 0.01°
γ	90°
Cell volume	542.3 ± 0.4 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0264
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0665
Weighted residual factors for all reflections included in the refinement	0.0666
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
179129 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/91.	4309120.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309120.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309120.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309120.cif