Crystallography Open Database

Information card for entry 4068575

Preview

Coordinates	4068575.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H52 Al3 N3
Calculated formula	C29 H52 Al3 N3
SMILES	[AlH2]1[N]2(c3c(cccc3C(C)C)C(C)C)[AlH2][N]1(C[AlH]([N](C)(C)C)C2)c1c(cccc1C(C)C)C(C)C
Title of publication	Synthesis of Fused Aminocarbaaluminum Hydrides by the Hydroalumination of Bulky Isocyanides⊥
Authors of publication	Pi, Chengfu; Wan, Li; Wu, Haoyu; Gu, Yingying; Zheng, Wenjun; Weng, Linhong; Chen, Zhenxia; Wu, Limin
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	4
Pages of publication	1263
a	9.718 ± 0.003 Å
b	26.437 ± 0.009 Å
c	13.197 ± 0.005 Å
α	90°
β	94.573 ± 0.005°
γ	90°
Cell volume	3380 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0685
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.1145
Weighted residual factors for all reflections included in the refinement	0.125
Goodness-of-fit parameter for all reflections included in the refinement	0.961
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
178575 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/85.	4068575.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068575.cif
39884	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068575 via cif-deposit CGI script.	4068575.cif