Crystallography Open Database

Information card for entry 7208538

7208537 << 7208538 >> 7208539

Preview

Coordinates	7208538.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H32 Fe N6 O6 S2
Calculated formula	C29 H30 Fe N6 O6 S2
Title of publication	Two novel high-dimensional iron(ii) coordination polymers modeled by semi-rigid tetrapyridines
Authors of publication	Yu, Fan; Li, Bao
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	18
Pages of publication	6049
a	16.5531 ± 0.0009 Å
b	11.7181 ± 0.0007 Å
c	17.4935 ± 0.0008 Å
α	90°
β	103.372 ± 0.005°
γ	90°
Cell volume	3301.2 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
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	0.0396
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0816
Weighted residual factors for all reflections included in the refinement	0.0843
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
180416 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/85.	7208538.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208538.cif
66485	2012-09-11	cif/ Adding structures of 7208537, 7208538 via cif-deposit CGI script.	7208538.cif