Crystallography Open Database

Information card for entry 4070692

Preview

Coordinates	4070692.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H57 B F4 Mo N8
Calculated formula	C31 H51 B F4 Mo N6
Title of publication	Synthesis and Reactivity of 16-Electron Cycloheptatrienyl-Molybdenum(0) Complexes with Bis(imidazolin-2-imine) Ligands
Authors of publication	Petrovic, Dejan; Hrib, Cristian G.; Randoll, Sören; Jones, Peter G.; Tamm, Matthias
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	4
Pages of publication	778
a	10.8124 ± 0.001 Å
b	31.337 ± 0.003 Å
c	12.0187 ± 0.0012 Å
α	90°
β	107.634 ± 0.003°
γ	90°
Cell volume	3880.9 ± 0.6 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 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	0.0753
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1479
Weighted residual factors for all reflections included in the refinement	0.1567
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
178595 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/06.	4070692.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070692.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070692.cif
42647	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070692, 4070693, 4070694, 4070695, 4070696, 4070697 via cif-deposit CGI script.	4070692.cif