Crystallography Open Database

Information card for entry 4068469

Preview

Coordinates	4068469.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H49 N5 Si3 Zr
Calculated formula	C18.97 H48.9 N4.99 Si3 Zr
Title of publication	General Preparation of (N3N)ZrX (N3N = N(CH2CH2NSiMe3)33−) Complexes from a Hydride Surrogate
Authors of publication	Roering, Andrew J.; Maddox, Annalese F.; Elrod, L. Taylor; Chan, Stephanie M.; Ghebreab, Michael B.; Donovan, Kyle L.; Davidson, Jillian J.; Hughes, Russell P.; Shalumova, Tamila; MacMillan, Samantha N.; Tanski, Joseph M.; Waterman, Rory
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	2
Pages of publication	573
a	11.9522 ± 0.0006 Å
b	11.9522 ± 0.0006 Å
c	11.6463 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	1440.84 ± 0.12 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	5
Space group number	159
Hermann-Mauguin space group symbol	P 3 1 c
Hall space group symbol	P 3 -2c
Residual factor for all reflections	0.015
Residual factor for significantly intense reflections	0.0144
Weighted residual factors for significantly intense reflections	0.0381
Weighted residual factors for all reflections included in the refinement	0.0386
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
178574 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/84.	4068469.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068469.cif
39779	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068467, 4068468, 4068469, 4068470, 4068471 via cif-deposit CGI script.	4068469.cif