Crystallography Open Database

Information card for entry 4324304

Preview

Coordinates	4324304.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 Mn N10 S2
Calculated formula	C30 H28 Mn 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	17.3303 ± 0.0013 Å
b	9.5903 ± 0.0007 Å
c	18.8701 ± 0.0017 Å
α	90°
β	100.299 ± 0.008°
γ	90°
Cell volume	3085.7 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0911
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0897
Weighted residual factors for all reflections included in the refinement	0.116
Goodness-of-fit parameter for all reflections included in the refinement	0.854
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.	4324304.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324304.cif
41009	2012-03-09	../uploads/cif-deposit/cod/cif Adding structures of 4324304 via cif-deposit CGI script.	4324304.cif