Crystallography Open Database

Information card for entry 7034074

Preview

Coordinates	7034074.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H28 B Cl N2 O
Calculated formula	C20 H28 B Cl N2 O
Title of publication	Intramolecular N-coordination in ketiminoboranes.
Authors of publication	Bacon, Catherine E.; Mansour, Liz; Hayward, John J.; Rawson, Jeremy M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	12
Pages of publication	5284 - 5287
a	9.215 ± 0.0002 Å
b	13.4773 ± 0.0003 Å
c	17.1221 ± 0.0004 Å
α	90°
β	97.697 ± 0.002°
γ	90°
Cell volume	2107.29 ± 0.08 Å³
Cell temperature	240 ± 2 K
Ambient diffraction temperature	240 ± 2 K
Number of distinct elements	6
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	0.1606
Residual factor for significantly intense reflections	0.0928
Weighted residual factors for significantly intense reflections	0.1594
Weighted residual factors for all reflections included in the refinement	0.1786
Goodness-of-fit parameter for all reflections included in the refinement	1.276
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180046 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/40.	7034074.cif
134997	2015-04-06	cif/ Updating files of 7034074, 7034075, 7034076 Original log message: Adding full bibliography for 7034074--7034076.cif.	7034074.cif
131910	2015-02-17	cif/ Adding structures of 7034074, 7034075, 7034076 via cif-deposit CGI script.	7034074.cif