Crystallography Open Database

Information card for entry 4115627

Preview

Coordinates	4115627.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H13 Cl Mo N2 O2
Calculated formula	C15.556 H14.668 Cl0.444 Mo N2 O2
Title of publication	Reactivity of [MoX(η3-allyl)(CO)2(N-N)] Complexes with Simple, Nonstabilized Carbanions
Authors of publication	Julio Pérez; Lucía Riera; Víctor Riera; Santiago García-Granda; Esther García-Rodríguez
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	7469 - 7470
a	8.379 ± 0.004 Å
b	13.572 ± 0.006 Å
c	13.958 ± 0.005 Å
α	90°
β	102.78 ± 0.04°
γ	90°
Cell volume	1548 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1063
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1008
Weighted residual factors for all reflections included in the refinement	0.1234
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
178927 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/56.	4115627.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115627.cif
69229	2012-12-04	cif/ Adding structures of 4115627 via cif-deposit CGI script.	4115627.cif