Crystallography Open Database

Information card for entry 7052409

Preview

Coordinates	7052409.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14.5 H34 Mo N O4 P3
Calculated formula	C14.5 H30 Mo N O4 P3
Title of publication	Novel carbon dioxide and carbonyl carbonate complexes of molybdenum. The X-ray structures of trans-[Mo(CO2)2{HN(CH2CH2PMe2)2}(PMe3)] and [Mo3(µ2-CO3)(µ2-O)2(O)2(CO)2(H2O)(PMe3)6]·H2O
Authors of publication	Leopoldo Contreras; Margarita Paneque; Murielle Sellin; Ernesto Carmona; Pedro J. Pérez; Enrique Gutiérrez-Puebla; Angeles Monge; Caridad Ruiz
Journal of publication	New Journal of Chemistry
Year of publication	2005
Journal volume	29
Journal issue	1
Pages of publication	109
a	19.947 ± 0.005 Å
b	11.67 ± 0.002 Å
c	20.004 ± 0.007 Å
α	90°
β	101.878 ± 0.01°
γ	90°
Cell volume	4557 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2355
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for significantly intense reflections	0.1734
Weighted residual factors for all reflections included in the refinement	0.2384
Goodness-of-fit parameter for all reflections included in the refinement	0.911
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7052409.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052409.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052409.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7052409.cif