Crystallography Open Database

Information card for entry 4315941

Preview

Coordinates	4315941.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C132 H165 Fe8 S12
Calculated formula	C132 H124 Fe8 S12
Title of publication	Synthesis of Coordinatively Unsaturated Mesityliron Thiolate Complexes and Their Reactions with Elemental Sulfur
Authors of publication	Takayoshi Hashimoto; Yasuhiro Ohki; Kazuyuki Tatsumi
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	6102 - 6109
a	24.8871 ± 0.0008 Å
b	24.8871 ± 0.0008 Å
c	21.4512 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	13286.2 ± 0.8 Å³
Cell temperature	173.1 K
Ambient diffraction temperature	173.1 K
Number of distinct elements	4
Space group number	136
Hermann-Mauguin space group symbol	P 42/m n m
Hall space group symbol	-P 4n 2n
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for all reflections included in the refinement	0.1217
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4315941.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4315941.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4315941.cif
9108	2011-02-09	../uploads/cif-deposit/cod/cif Adding structures of 4315941 via cif-deposit CGI script.	4315941.cif