Crystallography Open Database

Information card for entry 4107339

Preview

Coordinates	4107339.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H41 Br0 Mo N3 O3
Calculated formula	C31 H41 Br0.04 Mo N3 O3
Title of publication	Synthesis, Characterization, and Reactivity of a d2, Mo(IV) Complex Supported by a New OCO-Trianionic Pincer Ligand
Authors of publication	Soumya Sarkar; Adam R. Carlson; Melanie K. Veige; Joseph M. Falkowski; Khalil A. Abboud; Adam S. Veige
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	1116 - 1117
a	11.3721 ± 0.0009 Å
b	18.4744 ± 0.0014 Å
c	14.49 ± 0.0011 Å
α	90°
β	102 ± 0.002°
γ	90°
Cell volume	2977.7 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0877
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1028
Weighted residual factors for all reflections included in the refinement	0.1136
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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.	4107339.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107339.cif
55004	2012-05-02	cif/ Adding structures of 4107339 via cif-deposit CGI script.	4107339.cif