Crystallography Open Database

Information card for entry 7006536

Preview

Coordinates	7006536.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Nitrosyl-tris(trimethylphosphine)-N-benzylidene-1-naphthylamine- molybdenum
Formula	C26 H41 Mo N2 O P3
Calculated formula	C26 H41 Mo N2 O P3
SMILES	[Mo]1([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)(N=O)[NH](Cc2c1ccc1ccccc21)c1ccccc1
Title of publication	Hydride transfer reactivity of tetrakis(trimethylphosphine)(hydrido)(nitrosyl)molybdenum(0).
Authors of publication	Zhao, Yin; Schmalle, Helmut W.; Fox, Thomas; Blacque, Olivier; Berke, Heinz
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	1
Pages of publication	73 - 85
a	13.4047 ± 0.0009 Å
b	14.337 ± 0.0013 Å
c	30.111 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5786.8 ± 0.8 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.041
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0759
Weighted residual factors for all reflections included in the refinement	0.078
Goodness-of-fit parameter for all reflections included in the refinement	0.876
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
179769 (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 7/00/65.	7006536.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006536.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006536.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7006536.cif