Crystallography Open Database

Information card for entry 7211072

Preview

Coordinates	7211072.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H78 Cl2 Fe N10 O18 S2
Calculated formula	C50 H78 Cl2 Fe N10 O18 S2
Title of publication	Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties
Authors of publication	Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	45
Pages of publication	9655
a	14.231 ± 0.003 Å
b	16.882 ± 0.003 Å
c	26.121 ± 0.005 Å
α	90°
β	98.73 ± 0.03°
γ	90°
Cell volume	6203 ± 2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1
Residual factor for significantly intense reflections	0.0825
Weighted residual factors for significantly intense reflections	0.2426
Weighted residual factors for all reflections included in the refinement	0.2592
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.710698 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180441 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/10.	7211072.cif
90199	2013-11-17	cif/ Adding structures of 7211071, 7211072, 7211073, 7211074, 7211075, 7211076, 7211077, 7211078 via cif-deposit CGI script.	7211072.cif