Crystallography Open Database

Information card for entry 4064770

Preview

Coordinates	4064770.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H56 Mg N4
Calculated formula	C44 H56 Mg N4
SMILES	C1(C(=[N]([Mg]2([N]=1c1c(C)cc(cc1C)C)[N](=C(C(=[N]2c1c(cc(cc1C)C)C)C)C)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)C)C
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	20.497 ± 0.006 Å
b	26.472 ± 0.007 Å
c	14.723 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	7989 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.082
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.1132
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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