Crystallography Open Database

Information card for entry 7001731

Preview

Coordinates	7001731.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H51 Al3 N3 Sm
Calculated formula	C23 H51 Al3 N3 Sm
SMILES	[Sm]12345([CH3][Al](C)(C)[CH2]5[Al](C)(C)[CH2]1[Al](C)(C)[CH3]2)[N]1(C[N]3(C[N]4(C1)C)C)C.c1(ccccc1)C
Title of publication	Neutral ligand induced methane elimination from rare-earth metal tetramethylaluminates up to the six-coordinate carbide state
Authors of publication	Venugopal, Ajay; Kamps, Ina; Bojer, Daniel; Berger, Raphael J. F.; Mix, Andreas; Willner, Alexander; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	29
Pages of publication	5755
a	35.417 ± 0.004 Å
b	17.3343 ± 0.0019 Å
c	10.1016 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	6201.7 ± 1.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0612
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1156
Weighted residual factors for all reflections included in the refinement	0.1187
Goodness-of-fit parameter for all reflections included in the refinement	1.149
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
179715 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/17.	7001731.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001731.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001731.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001731.cif