Crystallography Open Database

Information card for entry 7040766

Preview

Coordinates	7040766.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H41 Al B Cl5 N2
Calculated formula	C32 H41 Al B Cl5 N2
SMILES	Cl[Al](Cl)(Cl)[Cl-].ClC1=[N](c2c(C(C)C)cccc2C(C)C)B(N(c2c(cccc2C(C)C)C(C)C)C1)c1ccccc1
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	18.9942 ± 0.0004 Å
b	18.2174 ± 0.0004 Å
c	10.5733 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3658.63 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0418
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0811
Weighted residual factors for all reflections included in the refinement	0.0843
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
188153 (current)	2016-11-08	cif/ Updating files of 7040765, 7040766, 7040767 Original log message: Adding full bibliography for 7040765--7040767.cif.	7040766.cif
186833	2016-09-29	cif/ Adding structures of 7040765, 7040766, 7040767 via cif-deposit CGI script.	7040766.cif