Crystallography Open Database

Information card for entry 4085396

Preview

Coordinates	4085396.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4 in manuscript
Formula	C39 H56 Br Li N4 O2
Calculated formula	C39 H56 Br Li N4 O2
Title of publication	Lithium Complexes of Neutral Bis-NHC Ligands
Authors of publication	Brendel, Matthias; Wenz, Jan; Shishkov, Igor V.; Rominger, Frank; Hofmann, Peter
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	3
Pages of publication	669
a	21.441 ± 0.0017 Å
b	14.6684 ± 0.0012 Å
c	15.74 ± 0.0013 Å
α	90°
β	129.094 ± 0.001°
γ	90°
Cell volume	3842 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0707
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1074
Weighted residual factors for all reflections included in the refinement	0.1177
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
178742 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/53.	4085396.cif
132975	2015-03-04	cif/ Updating files of 4085393, 4085394, 4085395, 4085396, 4085397, 4085398 Original log message: Adding full bibliography for 4085393--4085398.cif.	4085396.cif
130851	2015-02-04	cif/ Adding structures of 4085393, 4085394, 4085395, 4085396, 4085397, 4085398 via cif-deposit CGI script.	4085396.cif