Crystallography Open Database

Information card for entry 4107385

Preview

Coordinates	4107385.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H43 Mo N P4
Calculated formula	C21 H43 Mo N P4
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	12.4605 ± 0.0018 Å
b	16.177 ± 0.003 Å
c	27.824 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	5608.6 ± 1.5 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	5
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	0.1441
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.1434
Weighted residual factors for all reflections included in the refinement	0.1744
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4107385.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107385.cif
55050	2012-05-02	cif/ Adding structures of 4107385 via cif-deposit CGI script.	4107385.cif