Crystallography Open Database

Information card for entry 4302826

Preview

Coordinates	4302826.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[PhC(H)NNMo(N[t-Bu]Ar)3][AlCl4]
Formula	C43 H60 Al Cl4 Mo N5
Calculated formula	C43 H60 Al Cl4 Mo N5
SMILES	[Mo](=N\N=C\c1ccccc1)(N(c1cc(C)cc(C)c1)C(C)(C)C)(N(c1cc(C)cc(C)c1)C(C)(C)C)N(c1cc(C)cc(C)c1)C(C)(C)C.[Al](Cl)(Cl)(Cl)[Cl-]
Title of publication	Synthesis and Reversible Reductive Coupling of Cationic, Dinitrogen-Derived Diazoalkane Complexes
Authors of publication	John J. Curley; Tetsuro Murahashi; Christopher C. Cummins
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	7181 - 7193
a	22.9306 ± 0.0014 Å
b	16.7543 ± 0.001 Å
c	12.3428 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	4741.9 ± 0.5 Å³
Cell temperature	373 ± 2 K
Ambient diffraction temperature	373 ± 2 K
Number of distinct elements	6
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	0.0387
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0756
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
179066 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/28.	4302826.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302826.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302826.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4302826.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4302826.cif