Crystallography Open Database

Information card for entry 4107386

Preview

Coordinates	4107386.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	iqmop3
Formula	C18 H34 Mo N P3
Calculated formula	C18 H34 Mo N P3
SMILES	[Mo]12345([n]6[cH]1[c]15cccc[c]41[cH]3[cH]26)([P](C)(C)C)([P](C)(C)C)[P](C)(C)C
Title of publication	New Modes for Coordination of Aromatic Heterocyclic Nitrogen Compounds to Molybdenum: Catalytic Hydrogenation of Quinoline, Isoquinoline, and Quinoxaline by Mo(PMe3)4H4
Authors of publication	Guang Zhu; Keliang Pang; Gerard Parkin
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	1564 - 1565
a	14.1285 ± 0.0014 Å
b	12.2475 ± 0.0012 Å
c	12.9005 ± 0.0013 Å
α	90°
β	94.425 ± 0.002°
γ	90°
Cell volume	2225.6 ± 0.4 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0602
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.1498
Weighted residual factors for all reflections included in the refinement	0.1623
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
178819 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/73.	4107386.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107386.cif
55051	2012-05-02	cif/ Adding structures of 4107386 via cif-deposit CGI script.	4107386.cif