Crystallography Open Database

Information card for entry 7036478

Preview

Coordinates	7036478.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H98 Al2 N4 Si
Calculated formula	C71 H98 Al2 N4 Si
SMILES	[Al]1([N](=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(C(C)C)cccc1C(C)C)(C(=C(\[Al]1([N](=C(N1c1c(C(C)C)cccc1C(C)C)C)c1c(cccc1C(C)C)C(C)C)C)c1ccc([Si](C)(C)C)cc1)\c1ccccc1)C
Title of publication	Addition of in situ reduced amidinato-methylaluminium chloride to acetylenes.
Authors of publication	Chlupatý, T; Turek, J.; De Proft, F.; Růžičková, Z; Růžička, A
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	40
Pages of publication	17462 - 17466
a	10.623 ± 0.0008 Å
b	15.659 ± 0.0008 Å
c	22.1571 ± 0.0011 Å
α	98.155 ± 0.004°
β	99.819 ± 0.005°
γ	107.948 ± 0.005°
Cell volume	3379.9 ± 0.4 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1214
Residual factor for significantly intense reflections	0.0676
Weighted residual factors for significantly intense reflections	0.1197
Weighted residual factors for all reflections included in the refinement	0.1463
Goodness-of-fit parameter for all reflections included in the refinement	1.162
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
161909 (current)	2015-10-09	cif/ Updating files of 7036477, 7036478, 7036479 Original log message: Adding full bibliography for 7036477--7036479.cif.	7036478.cif
155863	2015-09-11	cif/ Adding structures of 7036477, 7036478, 7036479 via cif-deposit CGI script.	7036478.cif