Crystallography Open Database

Information card for entry 7040767

Preview

Coordinates	7040767.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H28 Al B Cl6 N2
Calculated formula	C22 H28 Al B Cl6 N2
SMILES	Cl[Al](Cl)(Cl)[Cl-].Cl[B]1(Cl)[N](=CC=[N]1c1c(CC)cccc1CC)c1c(CC)cccc1CC
Title of publication	Synthesis and reactivity of N,N'-1,4-diazabutadiene derived borocations.
Authors of publication	Lawson, James R.; Wilkins, Lewis C.; André, Manon; Richards, Emma C.; Ali, Mohammed N.; Platts, James A.; Melen, Rebecca L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	41
Pages of publication	16177 - 16181
a	21.5021 ± 0.0005 Å
b	12.4712 ± 0.0003 Å
c	22.7768 ± 0.0007 Å
α	90°
β	99.399 ± 0.003°
γ	90°
Cell volume	6025.8 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0557
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1119
Weighted residual factors for all reflections included in the refinement	0.1166
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
188153 (current)	2016-11-08	cif/ Updating files of 7040765, 7040766, 7040767 Original log message: Adding full bibliography for 7040765--7040767.cif.	7040767.cif
186833	2016-09-29	cif/ Adding structures of 7040765, 7040766, 7040767 via cif-deposit CGI script.	7040767.cif