Crystallography Open Database

Information card for entry 1512403

Preview

Coordinates	1512403.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H30 Cu2 N6 O8
Calculated formula	C38 H30 Cu2 N6 O8
SMILES	c1cc2C(c3ccccc3)[N]3=Cc4c(O[Cu]3([n]2cc1)ON(=O)=O)cccc4
Title of publication	Diastereoselectivity in dinuclear complexes of chiral tridentate ligands
Authors of publication	Himanshu Sekhar Jena; Vadivelu Manivannan
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	390
Pages of publication	154 - 162
a	11.8705 ± 0.0003 Å
b	13.3174 ± 0.0003 Å
c	12.4683 ± 0.0003 Å
α	90°
β	113.524 ± 0.001°
γ	90°
Cell volume	1807.23 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0997
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.12
Weighted residual factors for all reflections included in the refinement	0.1468
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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