Crystallography Open Database

Information card for entry 4102508

Preview

Coordinates	4102508.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ToMZnH
Chemical name	tris(4,4-dimethyl-2-oxazolinyl)phenylborato hydridozinc
Formula	C21 H30 B N3 O3 Zn
Calculated formula	C21 H30 B N3 O3 Zn
SMILES	[ZnH]12[N]3C(C)(C)COC=3[B](C3=[N]1C(C)(C)CO3)(C1=[N]2C(C)(C)CO1)c1ccccc1
Title of publication	Conversion of a Zinc Disilazide to a Zinc Hydride Mediated by LiCl
Authors of publication	Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	7582 - 7583
a	10.6937 ± 0.0005 Å
b	13.4024 ± 0.0006 Å
c	15.9975 ± 0.0008 Å
α	90°
β	99.784 ± 0.001°
γ	90°
Cell volume	2259.43 ± 0.18 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
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	0.0329
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0688
Weighted residual factors for all reflections included in the refinement	0.0722
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
178771 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/25.	4102508.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102508.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102508.cif
25389	2011-09-11	../uploads/cif-deposit/cod/cif Adding structures of 4102508 via cif-deposit CGI script.	4102508.cif