Crystallography Open Database

Information card for entry 4081849

Preview

Coordinates	4081849.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H14 B12 Cl11 N
Calculated formula	C10 H14 B12 Cl11 N
Title of publication	Electrophilic C‒H Borylation and Related Reactions of B‒H Boron Cations
Authors of publication	Prokofjevs, Aleksandrs; Jermaks, Janis; Borovika, Alina; Kampf, Jeff W.; Vedejs, Edwin
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	22
Pages of publication	6701
a	14.1671 ± 0.0003 Å
b	20.0121 ± 0.0005 Å
c	9.5338 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2702.96 ± 0.11 Å³
Cell temperature	85 ± 2 K
Ambient diffraction temperature	85 ± 2 K
Number of distinct elements	5
Space group number	55
Hermann-Mauguin space group symbol	P b a m
Hall space group symbol	-P 2 2ab
Residual factor for all reflections	0.057
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0923
Weighted residual factors for all reflections included in the refinement	0.1005
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
178707 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/18.	4081849.cif
91782	2013-12-13	cif/ Adding structures of 4081849, 4081850, 4081851 via cif-deposit CGI script.	4081849.cif