Crystallography Open Database

Information card for entry 4310758

Preview

Coordinates	4310758.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bromo(2-pyridine formamide thiosemicarbazone-N,N)tricarbonylrhenium(I)
Formula	C18 H33 Br N5 O7 Re S5
Calculated formula	C18 H33 Br N5 O7 Re S5
Title of publication	Tricarbonylrhenium(I) Complexes with Thiosemicarbazone Derivatives of 2-Acetylpyridine and 2-Pyridine Formamide Showing Two Unusual Coordination Modes of Tridentate Thiosemicarbazone Ligands
Authors of publication	Isabel García Santos; Ulrich Abram; Roger Alberto; Ezequiel Vázquez López; Agustín Sánchez
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	1834 - 1836
a	18.067 Å
b	9.479 Å
c	20.29 Å
α	90°
β	111°
γ	90°
Cell volume	3244.01 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.175
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for significantly intense reflections	0.1154
Weighted residual factors for all reflections included in the refinement	0.1429
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179146 (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 4/31/07.	4310758.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310758.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310758.cif
2247	2010-11-09	../uploads/cif-deposit/cod/cif Adding structures of 4310758 via cif-deposit CGI script.	4310758.cif