Crystallography Open Database

Information card for entry 4068471

Preview

Coordinates	4068471.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H51 N4 P Si3 Zr
Calculated formula	C21 H51 N4 P 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	16.8829 ± 0.0009 Å
b	17.5894 ± 0.001 Å
c	20.3466 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	6042.1 ± 0.6 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0603
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0649
Weighted residual factors for all reflections included in the refinement	0.0746
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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.	4068471.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068471.cif
39779	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068467, 4068468, 4068469, 4068470, 4068471 via cif-deposit CGI script.	4068471.cif