Crystallography Open Database

Information card for entry 4324303

Preview

Coordinates	4324303.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 Fe N10 S2
Calculated formula	C30 H28 Fe N10 S2
Title of publication	Temperature-Dependent in Situ Ligand Cyclization via C=C Coupling and Formation of a Spin-Crossover Iron(II) Coordination Polymer
Authors of publication	Feng-Lei Yang; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	911 - 917
a	19.5642 ± 0.0009 Å
b	9.563 ± 0.0005 Å
c	16.0572 ± 0.0008 Å
α	90°
β	96.356 ± 0.004°
γ	90°
Cell volume	2985.7 ± 0.3 Å³
Cell temperature	105 ± 2 K
Ambient diffraction temperature	105 ± 2 K
Number of distinct elements	5
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	0.0542
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0848
Weighted residual factors for all reflections included in the refinement	0.0885
Goodness-of-fit parameter for all reflections included in the refinement	0.948
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
179346 (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 4/32/43.	4324303.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324303.cif
41008	2012-03-09	../uploads/cif-deposit/cod/cif Adding structures of 4324303 via cif-deposit CGI script.	4324303.cif