Crystallography Open Database

Information card for entry 4072181

Preview

Coordinates	4072181.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38.5 H66 Mo N2
Calculated formula	C38.5 H66 Mo N2
Title of publication	Synthesis, Properties, and Structure of Tethered Molybdenum Alkylidenes
Authors of publication	Lokare, Kapil S.; Staples, Richard J.; Odom, Aaron L.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	19
Pages of publication	5130
a	9.82 ± 0.003 Å
b	14.543 ± 0.004 Å
c	15.017 ± 0.004 Å
α	94.018 ± 0.005°
β	105.146 ± 0.005°
γ	107.555 ± 0.005°
Cell volume	1947.7 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0968
Residual factor for significantly intense reflections	0.0702
Weighted residual factors for significantly intense reflections	0.1806
Weighted residual factors for all reflections included in the refinement	0.2023
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation probe	x-ray
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4072181.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4072181.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072181.cif
44275	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4072179, 4072180, 4072181, 4072182 via cif-deposit CGI script.	4072181.cif