Crystallography Open Database

Information card for entry 4064099

Preview

Coordinates	4064099.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H70 B9 N4 O2 Y
Calculated formula	C36 H62 B9 N4 O Y
Title of publication	Synthesis and Structure of Rare-Earth-Metal Dicarbollide Complexes with an Imidazolin-2-iminato Ligand Featuring Very Short Metal−Nitrogen Bonds
Authors of publication	Trambitas, Alexandra G.; Yang, Jingying; Melcher, Daniel; Daniliuc, Constantin G.; Jones, Peter G.; Xie, Zuowei; Tamm, Matthias
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	5
Pages of publication	1122
a	38.348 ± 0.006 Å
b	17.036 ± 0.003 Å
c	17.959 ± 0.003 Å
α	90°
β	116.138 ± 0.004°
γ	90°
Cell volume	10533 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1525
Residual factor for significantly intense reflections	0.0793
Weighted residual factors for significantly intense reflections	0.2009
Weighted residual factors for all reflections included in the refinement	0.2256
Goodness-of-fit parameter for all reflections included in the refinement	0.909
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
178502 (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 4/06/40.	4064099.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064099.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064099.cif
32780	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4064093, 4064094, 4064095, 4064096, 4064097, 4064098, 4064099 via cif-deposit CGI script.	4064099.cif