Crystallography Open Database

Information card for entry 4341259

Preview

Coordinates	4341259.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H49 Fe4 K3 N4 O30
Calculated formula	C50 H49 Fe4 K3 N4 O30
Title of publication	Synthesis, Characterization, and Spectroscopic Investigation of New Iron(III) and Copper(II) Complexes of a Carboxylate Rich Ligand and Their Interaction with Carbohydrates in Aqueous Solution.
Authors of publication	Stewart, Christopher D.; Arman, Hadi; Bawazir, Huda; Musie, Ghezai T.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	20
Pages of publication	10974 - 10988
a	11.2843 ± 0.0008 Å
b	25.6605 ± 0.0018 Å
c	11.7228 ± 0.0008 Å
α	90°
β	118.009 ± 0.009°
γ	90°
Cell volume	2996.9 ± 0.4 Å³
Cell temperature	98 ± 2 K
Ambient diffraction temperature	98 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0771
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.133
Weighted residual factors for all reflections included in the refinement	0.1413
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
179515 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/12.	4341259.cif
126906	2014-11-12	cif/ Updating files of 4341258, 4341259 Original log message: Adding full bibliography for 4341258--4341259.cif.	4341259.cif
125233	2014-10-10	cif/ Adding structures of 4341259 via cif-deposit CGI script.	4341259.cif