Crystallography Open Database

Information card for entry 4339650

Preview

Coordinates	4339650.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H63 Cl Mo N O2 Si2
Calculated formula	C28 H63 Cl Mo N O2 Si2
Title of publication	Synthesis and reactivity of [(silox)2Mo=NR]2Hg (R=tBu, tAmyl; silox=OSitBu3): unusual thermal stability and ready nucleophilic cleavage rationalized by electronic factors.
Authors of publication	Rosenfeld, Devon C.; Wolczanski, Peter T.; Barakat, Khaldoon A.; Buda, Corneliu; Cundari, Thomas R.; Schroeder, Frank C.; Lobkovsky, Emil B.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	23
Pages of publication	9715 - 9735
a	8.6651 ± 0.0007 Å
b	12.4896 ± 0.0009 Å
c	17.2926 ± 0.0013 Å
α	98.231 ± 0.002°
β	99.95 ± 0.002°
γ	97.4 ± 0.002°
Cell volume	1801.6 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0931
Weighted residual factors for all reflections included in the refinement	0.0993
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
179499 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/96.	4339650.cif
117447	2014-06-15	cif/ Adding structures of 4339650 via cif-deposit CGI script.	4339650.cif