Crystallography Open Database

Information card for entry 7114680

Preview

Coordinates	7114680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H37 Mo N5 Si2
Calculated formula	C28 H37 Mo N5 Si2
SMILES	[Mo]1(=Nc2ccccc2)(N(c2c(N1[Si](C)(C)C)cccc2)[Si](C)(C)C)([n]1ccccc1)[n]1ccccc1
Title of publication	Unusual molybdenum mediated C‒N bond activation
Authors of publication	Cameron, Thomas M.; Abboud, Khalil A.; Boncella, James M.
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	13
Pages of publication	1224
a	15.5947 ± 0.0008 Å
b	10.317 ± 0.0005 Å
c	18.4572 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2969.6 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0247
Residual factor for significantly intense reflections	0.0218
Weighted residual factors for significantly intense reflections	0.0517
Weighted residual factors for all reflections included in the refinement	0.053
Goodness-of-fit parameter for all reflections included in the refinement	0.994
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
180260 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/46.	7114680.cif
118280	2014-06-29	cif/ Adding structures of 7114680, 7114681 via cif-deposit CGI script.	7114680.cif