Crystallography Open Database

Information card for entry 4348793

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Structure parameters

Formula	C28 H72 B2 F8 N4 P4 Re6 Se8
Calculated formula	C28 H72 B2 F8 N4 P4 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	10.7462 ± 0.0008 Å
b	20.1379 ± 0.0016 Å
c	12.7725 ± 0.0008 Å
α	90°
β	96.037 ± 0.003°
γ	90°
Cell volume	2748.7 ± 0.3 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0272
Residual factor for significantly intense reflections	0.0231
Weighted residual factors for significantly intense reflections	0.0476
Weighted residual factors for all reflections included in the refinement	0.0486
Goodness-of-fit parameter for all reflections included in the refinement	1.17
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.	4348793.cif
233351	2019-11-23	cif/ Adding structures of 4348793 via cif-deposit CGI script.	4348793.cif