Crystallography Open Database

Information card for entry 4072395

Preview

Coordinates	4072395.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H52 Mo N3 P
Calculated formula	C38 H52 Mo N3 P
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	11.3552 ± 0.0004 Å
b	11.7692 ± 0.0003 Å
c	26.8328 ± 0.0009 Å
α	91.991 ± 0.001°
β	100.045 ± 0.001°
γ	94.946 ± 0.001°
Cell volume	3513.33 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0466
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0723
Weighted residual factors for all reflections included in the refinement	0.0785
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
178612 (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 4/07/23.	4072395.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4072395.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072395.cif
44401	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4072395 via cif-deposit CGI script.	4072395.cif