Crystallography Open Database

Information card for entry 4066243

Preview

Coordinates	4066243.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H90 Mo N2 O
Calculated formula	C60 H90 Mo N2 O
Title of publication	Fundamental Studies of Molybdenum and Tungsten Methylidene and Metallacyclobutane Complexes†
Authors of publication	Schrock, Richard R.; Jiang, Annie J.; Marinescu, Smaranda C.; Simpson, Jeffrey H.; Müller, Peter
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	21
Pages of publication	5241
a	10.7278 ± 0.0009 Å
b	11.9117 ± 0.001 Å
c	22.0417 ± 0.0019 Å
α	102.155 ± 0.002°
β	93.941 ± 0.002°
γ	92.896 ± 0.001°
Cell volume	2740.9 ± 0.4 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	0.0708
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1163
Weighted residual factors for all reflections included in the refinement	0.1278
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
178554 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/62.	4066243.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066243.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066243.cif
33836	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066241, 4066242, 4066243 via cif-deposit CGI script.	4066243.cif