Crystallography Open Database

Information card for entry 4301191

Preview

Coordinates	4301191.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H46 Br2 Mg2 N4 O4
Calculated formula	C38 H46 Br2 Mg2 N4 O4
SMILES	c1(ccc(Br)cc1C(=[N]1CC[N]2(C)C)C)O[Mg]123[O]([Mg]12(Oc4ccc(Br)cc4C(=[N]1CC[N]2(C)C)C)[O]3Cc1ccccc1)Cc1ccccc1
Title of publication	Preparation, Characterization, and Catalytic Studies of Magnesium Complexes Supported by NNO-Tridentate Schiff-Base Ligands
Authors of publication	Wen-Chou Hung; Chu-Chieh Lin
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	728 - 734
a	22.187 ± 0.011 Å
b	10.591 ± 0.006 Å
c	17.588 ± 0.009 Å
α	90°
β	108.648 ± 0.011°
γ	90°
Cell volume	3916 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1396
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.0666
Weighted residual factors for all reflections included in the refinement	0.0789
Goodness-of-fit parameter for all reflections included in the refinement	0.998
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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