Crystallography Open Database

Information card for entry 4329737

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Structure parameters

Formula	C37 H81 B F4 N5 P5 Re6 Se8
Calculated formula	C37 H81 B F4 N5 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	25.2743 ± 0.0017 Å
b	19.7358 ± 0.0014 Å
c	12.2496 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	6110.2 ± 0.7 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	8
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0345
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0492
Weighted residual factors for all reflections included in the refinement	0.0519
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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