Crystallography Open Database

Information card for entry 4324230

Preview

Coordinates	4324230.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[({Re202(PhthBu2tu)2}O)2]
Formula	C108 H172 Cl0 N16 O18 Re4 S10
Calculated formula	C108 H172 N16 O18 Re4 S10
Title of publication	Bipodal Acylthiourea Ligands as Building Blocks for Bi-, Tetra-, and Polynuclear Oxorhenium(V) Complexes
Authors of publication	Hung Huy Nguyen; Pham Chien Thang; Axel Rodenstein; Reinhard Kirmse; Ulrich Abram
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	590 - 596
a	19.765 ± 0.002 Å
b	15.8113 ± 0.001 Å
c	23.642 ± 0.002 Å
α	90°
β	92.861 ± 0.01°
γ	90°
Cell volume	7379.2 ± 1.1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.2173
Residual factor for significantly intense reflections	0.1033
Weighted residual factors for significantly intense reflections	0.2286
Weighted residual factors for all reflections included in the refinement	0.2907
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
179345 (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 4/32/42.	4324230.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324230.cif
40935	2012-03-09	../uploads/cif-deposit/cod/cif Adding structures of 4324230 via cif-deposit CGI script.	4324230.cif