Crystallography Open Database

Information card for entry 4072057

4072056 << 4072057 >> 4072058

Preview

Coordinates	4072057.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H64 N4 Na4
Calculated formula	C48 H64 N4 Na4
SMILES	[Na]1[N]2([Na][N]1(C(=C2C)C)c1c(cccc1CC)CC)c1c(cccc1CC)CC
Title of publication	Sodium and Magnesium Complexes with Dianionic α-Diimine Ligands
Authors of publication	Liu, Yanyan; Yang, Peiju; Yu, Jie; Yang, Xiao-Juan; Zhang, Jun D.; Chen, Zhongfang; Schaefer, Henry F.; Wu, Biao
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	22
Pages of publication	5830
a	12.366 ± 0.003 Å
b	12.366 ± 0.003 Å
c	29.154 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	4458 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.2655
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.1363
Weighted residual factors for all reflections included in the refinement	0.204
Goodness-of-fit parameter for all reflections included in the refinement	0.91
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
178609 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/20.	4072057.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4072057.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072057.cif
44201	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4072054, 4072055, 4072056, 4072057, 4072058 via cif-deposit CGI script.	4072057.cif