Crystallography Open Database

Information card for entry 4339651

Preview

Coordinates	4339651.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H72 Mo N O2 P Si2
Calculated formula	C31 H72 Mo N O2 P Si2
SMILES	[Mo]([P](C)(C)C)(O[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(O[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)=NC(C)(C)C
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	9.3696 ± 0.0005 Å
b	17.913 ± 0.001 Å
c	23.8114 ± 0.0013 Å
α	90°
β	99.459 ± 0.001°
γ	90°
Cell volume	3942.1 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0685
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1237
Weighted residual factors for all reflections included in the refinement	0.1307
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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
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.	4339651.cif
117448	2014-06-15	cif/ Adding structures of 4339651 via cif-deposit CGI script.	4339651.cif