Crystallography Open Database

Information card for entry 4068788

Preview

Coordinates	4068788.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H56 B2 Ca N8 O
Calculated formula	C32 H56 B2 Ca N8 O
Title of publication	Bis(imidazolin-2-ylidene-1-yl)borate Complexes of the Heavier Alkaline Earths: Synthesis and Studies of Catalytic Hydroamination
Authors of publication	Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	6
Pages of publication	1730
a	16.0309 ± 0.0003 Å
b	19.9759 ± 0.0004 Å
c	23.0604 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	7384.7 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1067
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.1191
Weighted residual factors for all reflections included in the refinement	0.141
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
178577 (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 4/06/87.	4068788.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068788.cif
39975	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068787, 4068788, 4068789, 4068790, 4068791 via cif-deposit CGI script.	4068788.cif