Crystallography Open Database

Information card for entry 4123225

Preview

Coordinates	4123225.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	5
Formula	C31 H54 N4 Si4 Y
Calculated formula	C31 H54 N4 Si4 Y
SMILES	[Y](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)(N(Cc1ccccc1)Cc1ccccc1)[n]1ccccc1
Title of publication	Aminomethylation Reaction of ortho-Pyridyl C-H Bonds Catalyzed by Group 3 Metal Triamido Complexes.
Authors of publication	Nagae, Haruki; Shibata, Yu; Tsurugi, Hayato; Mashima, Kazushi
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	2
Pages of publication	640 - 643
a	30.617 ± 0.008 Å
b	17.608 ± 0.005 Å
c	21.674 ± 0.006 Å
α	90°
β	100.565 ± 0.003°
γ	90°
Cell volume	11486 ± 5 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
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	0.1331
Residual factor for significantly intense reflections	0.0767
Weighted residual factors for significantly intense reflections	0.1225
Weighted residual factors for all reflections included in the refinement	0.1451
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179034 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/32.	4123225.cif
130650	2015-02-04	cif/ Updating files of 4123224, 4123225, 4123226 Original log message: Adding full bibliography for 4123224--4123226.cif.	4123225.cif
129815	2015-01-17	cif/ Adding structures of 4123224, 4123225, 4123226 via cif-deposit CGI script.	4123225.cif