Crystallography Open Database

Information card for entry 4074058

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Structure parameters

Formula	C38 H60 Mo N2 O Si
Calculated formula	C38 H60 Mo N2 O Si
SMILES	[Mo](=CC(C)(C)c1ccccc1)(=Nc1c(C(C)C)cccc1C(C)C)(n1cccc1)O[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C
Title of publication	Synthesis of Molybdenum Imido Alkylidene Complexes That Contain Siloxides
Authors of publication	Wampler, Keith M.; Schrock, Richard R.; Hock, Adam S.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	26
Pages of publication	6674
a	12.038 ± 0.002 Å
b	12.567 ± 0.003 Å
c	12.897 ± 0.003 Å
α	81.45 ± 0.03°
β	86.62 ± 0.03°
γ	87.79 ± 0.03°
Cell volume	1925.2 ± 0.7 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0418
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0955
Weighted residual factors for all reflections included in the refinement	0.1021
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
201982 (current)	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4074058.cif
178629	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 4/07/40.	4074058.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074058.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4074058.cif
46706	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4074057, 4074058 via cif-deposit CGI script.	4074058.cif