Crystallography Open Database

Information card for entry 4316883

Preview

Coordinates	4316883.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C152 H41 Fe15 In32 N48 O12 S68
Calculated formula	C130 Fe15 In32 N44 O6 S68
Title of publication	Transition Metal Complexes as Linkages for Assembly of Supertetrahedral T4 Clusters
Authors of publication	Yu-Hong Wang; Ming-Hui Zhang; Yun-Meng Yan; Guo-Qing Bian; Qin-Yu Zhu; Jie Dai
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	9731 - 9733
a	22.9573 ± 0.0012 Å
b	26.3107 ± 0.0013 Å
c	27.4113 ± 0.0015 Å
α	90°
β	99.803 ± 0.002°
γ	90°
Cell volume	16315.3 ± 1.5 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
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	0.1366
Residual factor for significantly intense reflections	0.08
Weighted residual factors for significantly intense reflections	0.1421
Weighted residual factors for all reflections included in the refinement	0.1663
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179248 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/68.	4316883.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316883.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316883.cif
10395	2011-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4316883 via cif-deposit CGI script.	4316883.cif