Crystallography Open Database

Information card for entry 4063779

Preview

Coordinates	4063779.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H80 Ca N4 O3 Si2
Calculated formula	C48 H80 Ca N4 O3 Si2
Title of publication	2,5-Bis{N-(2,6-diisopropylphenyl)iminomethyl}pyrrolyl Complexes of the Heavy Alkaline Earth Metals: Synthesis, Structures, and Hydroamination Catalysis
Authors of publication	Jenter, Jelena; Köppe, Ralf; Roesky, Peter W.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	6
Pages of publication	1404
a	16.426 ± 0.003 Å
b	10.568 ± 0.002 Å
c	29.727 ± 0.006 Å
α	90°
β	97.67 ± 0.03°
γ	90°
Cell volume	5114.1 ± 1.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1277
Residual factor for significantly intense reflections	0.0689
Weighted residual factors for significantly intense reflections	0.1548
Weighted residual factors for all reflections included in the refinement	0.179
Goodness-of-fit parameter for all reflections included in the refinement	0.97
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
178532 (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 4/06/37.	4063779.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4063779.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4063779.cif
32668	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4063776, 4063777, 4063778, 4063779, 4063780 via cif-deposit CGI script.	4063779.cif