Crystallography Open Database

Information card for entry 4064768

Preview

Coordinates	4064768.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H52 Mg N2 O3
Calculated formula	C34 H52 Mg N2 O3
SMILES	[Mg]1(N(C(=C(N1c1c(cc(cc1C)C)C)C)C)c1c(cc(cc1C)C)C)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
Title of publication	Syntheses and Structures of Magnesium Complexes with Reduced α-Diimine Ligands
Authors of publication	Gao, Jing; Liu, Yanyan; Zhao, Yanxia; Yang, Xiao-Juan; Sui, Yunxia
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	22
Pages of publication	6071
a	9.9238 ± 0.0007 Å
b	10.9398 ± 0.0007 Å
c	16.2205 ± 0.0011 Å
α	74.742 ± 0.001°
β	76.352 ± 0.001°
γ	82.948 ± 0.001°
Cell volume	1647.46 ± 0.19 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0604
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1369
Weighted residual factors for all reflections included in the refinement	0.1481
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
178541 (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 4/06/47.	4064768.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064768.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064768.cif
33036	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064767, 4064768, 4064769, 4064770, 4064771 via cif-deposit CGI script.	4064768.cif