Crystallography Open Database

Information card for entry 4348794

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Structure parameters

Formula	C32 H81 B2 F8 N2 P5 Re6 Se8
Calculated formula	C32 H81 B2 F8 N2 P5 Re6 Se8
Title of publication	Amidine Production by the Addition of NH<sub>3</sub> to Nitrile(s) Bound to and Activated by the Lewis Acidic [Re<sub>6</sub>(μ<sub>3</sub>-Se)<sub>8</sub>]<sup>2+</sup> Cluster Core.
Authors of publication	Corbin, William C.; Nichol, Gary S.; Zheng, Zhiping
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	19
Pages of publication	9505 - 9508
a	13.8033 ± 0.0008 Å
b	20.8117 ± 0.0012 Å
c	21.2736 ± 0.0011 Å
α	90°
β	104.897 ± 0.002°
γ	90°
Cell volume	5905.9 ± 0.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	8
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	0.0599
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.0872
Weighted residual factors for all reflections included in the refinement	0.0953
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
301840 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure.	4348794.cif
233352	2019-11-23	cif/ Adding structures of 4348794 via cif-deposit CGI script.	4348794.cif