Crystallography Open Database

Information card for entry 7057756

Preview

Coordinates	7057756.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H26 B9 N O
Calculated formula	C9 H26 B9 N O
Title of publication	Nucleophilic addition reactions to the ethylnitrilium derivative of nido-carborane 10-EtCN-7,8-C2B9H11
Authors of publication	Stogniy, Marina Yu.; Erokhina, Svetlana A.; Suponitsky, Kyrill Yu.; Anisimov, Aleksei A.; Sivaev, Igor B.; Bregadze, Vladimir I.
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	22
Pages of publication	17958
a	12.9892 ± 0.0014 Å
b	10.2156 ± 0.0011 Å
c	12.6418 ± 0.0014 Å
α	90°
β	110.54 ± 0.002°
γ	90°
Cell volume	1570.8 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
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	0.0892
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.128
Weighted residual factors for all reflections included in the refinement	0.1511
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
230211 (current)	2019-11-17	cif/ Updating files of 7057756, 7057757, 7057758, 7057759 Original log message: Adding full bibliography for 7057756--7057759.cif.	7057756.cif
211211	2018-09-28	cif/ Adding structures of 7057756, 7057757, 7057758, 7057759 via cif-deposit CGI script.	7057756.cif