Crystallography Open Database

Information card for entry 4324231

Preview

Coordinates	4324231.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H54 Cl6 N8 O8 Re2 S4
Calculated formula	C41 H54 Cl6 N8 O8 Re2 S4
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	27.3356 ± 0.001 Å
b	8.2458 ± 0.001 Å
c	25.0206 ± 0.001 Å
α	90°
β	96.568 ± 0.01°
γ	90°
Cell volume	5602.7 ± 0.8 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.059
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1401
Weighted residual factors for all reflections included in the refinement	0.1582
Goodness-of-fit parameter for all reflections included in the refinement	0.929
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
288540 (current)	2023-12-24	Corrected misspelt variants of the '_computing_publication_material' data name in multiple entries.	4324231.cif
179345	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.	4324231.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324231.cif
40936	2012-03-09	../uploads/cif-deposit/cod/cif Adding structures of 4324231 via cif-deposit CGI script.	4324231.cif