Crystallography Open Database

Information card for entry 4341258

Preview

Coordinates	4341258.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C127 H106 Fe8 K11 N8 O88.4
Calculated formula	C127 H106 Fe8 K11 N8 O88.4
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	11.4695 ± 0.0005 Å
b	16.8686 ± 0.0008 Å
c	22.9044 ± 0.0016 Å
α	95.884 ± 0.007°
β	103.814 ± 0.007°
γ	96.178 ± 0.007°
Cell volume	4240.4 ± 0.4 Å³
Cell temperature	98 ± 2 K
Ambient diffraction temperature	98 ± 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	0.0793
Residual factor for significantly intense reflections	0.0668
Weighted residual factors for significantly intense reflections	0.1481
Weighted residual factors for all reflections included in the refinement	0.154
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4341258.cif
126906	2014-11-12	cif/ Updating files of 4341258, 4341259 Original log message: Adding full bibliography for 4341258--4341259.cif.	4341258.cif
125232	2014-10-10	cif/ Adding structures of 4341258 via cif-deposit CGI script.	4341258.cif