Crystallography Open Database

Information card for entry 4326660

Preview

Coordinates	4326660.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 B2 F8 Fe2 N4 S2
Calculated formula	C30 H30 B2 F8 Fe2 N4 S2
Title of publication	Self-Assembly and Redox Modulation of the Cavity Size of an Unusual Rectangular Iron Thiolate Aryldiisocyanide Metallocyclophane
Authors of publication	Pei-Chin Lin; Hsing-Yin Chen; Po-Yu Chen; Ming-Hsi Chiang; Michael Y. Chiang; Ting-Shen Kuo; Sodio C. N. Hsu
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	10825 - 10834
a	16.545 ± 0.004 Å
b	10.091 ± 0.003 Å
c	23.515 ± 0.006 Å
α	90°
β	94.328 ± 0.004°
γ	90°
Cell volume	3914.8 ± 1.8 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0876
Residual factor for significantly intense reflections	0.0665
Weighted residual factors for significantly intense reflections	0.1998
Weighted residual factors for all reflections included in the refinement	0.2127
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
179369 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/66.	4326660.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326660.cif
49434	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4326660 via cif-deposit CGI script.	4326660.cif