Crystallography Open Database

Information card for entry 4071533

Preview

Coordinates	4071533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H60 B Cl2 F30 Mo N O4
Calculated formula	C67.505 H73.012 B Cl F30 Mo N O4
Title of publication	Cationic Molybdenum Imido Alkylidene Complexes
Authors of publication	Jiang, Annie J.; Schrock, Richard R.; Müller, Peter
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	17
Pages of publication	4428
a	12.937 ± 0.0004 Å
b	12.9705 ± 0.0004 Å
c	22.1851 ± 0.0007 Å
α	89.343 ± 0.001°
β	75.477 ± 0.001°
γ	85.394 ± 0.001°
Cell volume	3591.91 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0625
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1489
Weighted residual factors for all reflections included in the refinement	0.1575
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
178604 (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 4/07/15.	4071533.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071533.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071533.cif
43896	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071529, 4071530, 4071531, 4071532, 4071533 via cif-deposit CGI script.	4071533.cif