Crystallography Open Database

Information card for entry 7709315

Preview

Coordinates	7709315.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 B4 Br2 F6 N8 O
Calculated formula	C22 H18 B4 Br2 F6 N8 O
Title of publication	Nucleophilic addition reactions to nitrilium derivatives [B<sub>12</sub>H<sub>11</sub>NCCH<sub>3</sub>]<sup>-</sup> and [B<sub>12</sub>H<sub>11</sub>NCCH<sub>2</sub>CH<sub>3</sub>]<sup>-</sup>. Synthesis and structures of <i>closo</i>-dodecaborate-based iminols, amides and amidines.
Authors of publication	Laskova, Julia; Ananiev, Ivan; Kosenko, Irina; Serdyukov, Alexander; Stogniy, Marina; Sivaev, Igor; Grin, Mikhail; Semioshkin, Andrey; Bregadze, Vladimir I.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	8
Pages of publication	3051 - 3059
a	12.673 ± 0.001 Å
b	24.2903 ± 0.0019 Å
c	8.7967 ± 0.0008 Å
α	90°
β	107.285 ± 0.005°
γ	90°
Cell volume	2585.6 ± 0.4 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0471
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0849
Weighted residual factors for all reflections included in the refinement	0.0902
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
273363 (current)	2022-03-05	cif/ Updating files of 7709314, 7709315, 7709316, 7709317 Original log message: Adding full bibliography for 7709314--7709317.cif.	7709315.cif
272116	2022-01-19	cif/ Adding structures of 7709314, 7709315, 7709316, 7709317 via cif-deposit CGI script.	7709315.cif