Crystallography Open Database

Information card for entry 4108889

Preview

Coordinates	4108889.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Fe(III) 1,2-HOPO Complex
Formula	C25 H26 Cl2 Fe N7 O9
Calculated formula	C25 H22 Cl2 Fe N7 O9
Title of publication	The Role of Electrostatics in Siderophore Recognition by the Immunoprotein Siderocalin1
Authors of publication	Trisha M. Hoette; Rebecca J. Abergel; Jide Xu; Roland K. Strong; Kenneth N. Raymond
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	17584 - 17592
a	12.06 ± 0.002 Å
b	18.281 ± 0.004 Å
c	13.41 ± 0.003 Å
α	90°
β	108.09 ± 0.03°
γ	90°
Cell volume	2810.3 ± 1.1 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0576
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1146
Weighted residual factors for all reflections included in the refinement	0.1194
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
178834 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/88.	4108889.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108889.cif
57315	2012-05-18	cif/ Adding structures of 4108889 via cif-deposit CGI script.	4108889.cif