Crystallography Open Database

Information card for entry 4071416

Preview

Coordinates	4071416.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H37 Mo N O
Calculated formula	C23 H37 Mo N O
Title of publication	Reactivity of Cp*Mo(NO)(CHCMe3) with Olefins and Dienes: C−H Activation Reactions of Molybdenacyclobutanes
Authors of publication	Graham, Peter M.; Buschhaus, Miriam S. A.; Pamplin, Craig B.; Legzdins, Peter
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	12
Pages of publication	2840
a	8.8589 ± 0.001 Å
b	17.727 ± 0.002 Å
c	27.619 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4337.3 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1154
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.1167
Weighted residual factors for all reflections included in the refinement	0.1274
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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
178603 (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 4/07/14.	4071416.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071416.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071416.cif
43828	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071416 via cif-deposit CGI script.	4071416.cif