Crystallography Open Database

Information card for entry 4072390

Preview

Coordinates	4072390.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40.5 H58 Mo N4
Calculated formula	C40.5 H58 Mo N4
Title of publication	Syntheses and Structures of Molybdenum Imido Alkylidene Pyrrolide and Indolide Complexes
Authors of publication	Marinescu, Smaranda C.; Singh, Rojendra; Hock, Adam S.; Wampler, Keith M.; Schrock, Richard R.; Müller, Peter
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	24
Pages of publication	6570
a	9.468 ± 0.003 Å
b	10.102 ± 0.003 Å
c	20.072 ± 0.006 Å
α	92.682 ± 0.005°
β	102.986 ± 0.005°
γ	97.859 ± 0.005°
Cell volume	1847.1 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0612
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.0965
Weighted residual factors for all reflections included in the refinement	0.1029
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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.	4072390.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4072390.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072390.cif
44396	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4072390 via cif-deposit CGI script.	4072390.cif