Crystallography Open Database

Information card for entry 4329736

Preview

Coordinates	4329736.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H85 B2 F8 N2 O P5 Re6 Se8
Calculated formula	C41 H85 B2 F8 N2 O 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	12.234 ± 0.001 Å
b	19.9378 ± 0.0017 Å
c	27.756 ± 0.002 Å
α	90°
β	91.6087 ± 0.0013°
γ	90°
Cell volume	6767.5 ± 0.9 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	9
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	0.0551
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0769
Weighted residual factors for all reflections included in the refinement	0.0839
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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.	4329736.cif
78973	2013-04-03	cif/ Adding structures of 4329736 via cif-deposit CGI script.	4329736.cif