Crystallography Open Database

Information card for entry 4316884

Preview

Coordinates	4316884.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C186 H52 Co19 In32 N58 O2 S76
Calculated formula	C154 Co17 In34 N54 O2 S76
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	18.4153 ± 0.0008 Å
b	24.1811 ± 0.0009 Å
c	27.0841 ± 0.0004 Å
α	64.189 ± 0.004°
β	73.679 ± 0.005°
γ	85.685 ± 0.007°
Cell volume	10404.4 ± 0.8 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1008
Residual factor for significantly intense reflections	0.0733
Weighted residual factors for significantly intense reflections	0.1289
Weighted residual factors for all reflections included in the refinement	0.1409
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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.	4316884.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316884.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316884.cif
10396	2011-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4316884 via cif-deposit CGI script.	4316884.cif