Crystallography Open Database

Information card for entry 4329735

Preview

Coordinates	4329735.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H82 B Cl2 F4 N4 P5 Re6 Se8
Calculated formula	C37 H80 B F4 N4 P5 Re6 Se8
Title of publication	Preparation of a Family of Hexanuclear Rhenium Cluster Complexes Containing 5-(Phenyl)tetrazol-2-yl Ligands and Alkylation of 5-Substituted Tetrazolate Ligands
Authors of publication	Jessica L. Durham; Joan N. Tirado; Stanley A. Knott; Meghan K. Oh; Robert McDonald; Lisa F. Szczepura
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	7825 - 7836
a	11.8298 ± 0.0007 Å
b	15.2084 ± 0.0008 Å
c	18.4824 ± 0.001 Å
α	88.1099 ± 0.001°
β	81.9099 ± 0.0009°
γ	81.7606 ± 0.001°
Cell volume	3257.9 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0904
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1106
Weighted residual factors for all reflections included in the refinement	0.1263
Goodness-of-fit parameter for all reflections included in the refinement	0.892
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
179400 (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 4/32/97.	4329735.cif
78972	2013-04-03	cif/ Adding structures of 4329735 via cif-deposit CGI script.	4329735.cif