Crystallography Open Database

Information card for entry 4310785

Preview

Coordinates	4310785.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H158 Cl Fe8 N16 O43
Calculated formula	C104 H48 Cl Fe8 N16 O43
Title of publication	Synthesis, Structure, and Magnetism of a Ferric 24-Azametallacrown-8 Complex
Authors of publication	Shen Lin; Shi-Xiong Liu; Zhong Chen; Bi-Zhou Lin; Song Gao
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	2222 - 2224
a	20.006 ± 0.0003 Å
b	20.28 ± 0.0002 Å
c	20.6284 ± 0.0001 Å
α	77.836 ± 0.001°
β	66.136 ± 0.001°
γ	66.268 ± 0.001°
Cell volume	6995.18 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.2764
Residual factor for significantly intense reflections	0.0923
Weighted residual factors for significantly intense reflections	0.1963
Weighted residual factors for all reflections included in the refinement	0.2905
Goodness-of-fit parameter for all reflections included in the refinement	0.944
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
179146 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/07.	4310785.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310785.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310785.cif
2277	2010-11-10	../uploads/cif-deposit/cod/cif Adding structures of 4310785 via cif-deposit CGI script.	4310785.cif