Crystallography Open Database

Information card for entry 4340855

Preview

Coordinates	4340855.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H46 Mo N3 O1.5 P2
Calculated formula	C42 H46 Mo N3 O1.5 P2
Title of publication	Preparation and Hydrosilylation Activity of a Molybdenum Carbonyl Complex That Features a Pentadentate Bis(imino)pyridine Ligand.
Authors of publication	Pal, Raja; Groy, Thomas L.; Bowman, Amanda C.; Trovitch, Ryan J.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	17
Pages of publication	9357 - 9365
a	11.4934 ± 0.0009 Å
b	21.9925 ± 0.0016 Å
c	14.9835 ± 0.0011 Å
α	90°
β	101.363 ± 0.001°
γ	90°
Cell volume	3713.1 ± 0.5 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
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	0.1003
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1092
Weighted residual factors for all reflections included in the refinement	0.1274
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4340855.cif
122936	2014-09-06	cif/ Updating files of 4340855, 4340856 Original log message: Adding full bibliography for 4340855--4340856.cif.	4340855.cif
122298	2014-08-21	cif/ Adding structures of 4340855 via cif-deposit CGI script.	4340855.cif