Crystallography Open Database

Information card for entry 4348792

Preview

Coordinates	4348792.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29.5 H75 B2 Cl3 F8 N4 P4 Re6 Se8
Calculated formula	C29.5 H75 B2 Cl3 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	12.2832 ± 0.0005 Å
b	17.9598 ± 0.0008 Å
c	27.4523 ± 0.0012 Å
α	90°
β	92.5739 ± 0.0017°
γ	90°
Cell volume	6050 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0484
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0795
Weighted residual factors for all reflections included in the refinement	0.084
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
233350 (current)	2019-11-23	cif/ Adding structures of 4348792 via cif-deposit CGI script.	4348792.cif