Crystallography Open Database

Information card for entry 1551551

Preview

Coordinates	1551551.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H32 Cl3 Cu2 N5 O6
Calculated formula	C31 H32 Cl3 Cu2 N5 O6
SMILES	[Cu]1234Oc5c(cc(Cl)cc5)C=[N]3CC[N]34C4[N]5([Cu]6([O]1c1c4cc(Cl)cc1)(Oc1c(C=[N]6CC5)cc(Cl)cc1)[O]=C(O2)C)CC3.O.N#CC
Title of publication	μ-Phenolato-μ-acetato-bridged Dinuclear Copper(II) Complex with Dinucleating Schiff-base Ligand Having Three Phenolate Groups
Authors of publication	MIKURIYA, Masahiro; SATO, Yuya; YOSHIOKA, Daisuke
Journal of publication	X-ray Structure Analysis Online
Year of publication	2018
Journal volume	34
Journal issue	0
Pages of publication	45
a	9.088 ± 0.006 Å
b	13.296 ± 0.009 Å
c	29.2 ± 0.02 Å
α	90°
β	95.131 ± 0.013°
γ	90°
Cell volume	3514 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.111
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1044
Weighted residual factors for all reflections included in the refinement	0.1282
Goodness-of-fit parameter for all reflections included in the refinement	0.977
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
216161 (current)	2019-06-20	cif/ Adding structures of 1551551 via cif-deposit CGI script.	1551551.cif