Crystallography Open Database

Information card for entry 1551588

Preview

Coordinates	1551588.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H56 N4 Ni2 O11
Calculated formula	C43 H55 N4 Ni2 O11
SMILES	O1c2ccccc2C=[N]2CCOCCOCC[N]3[Ni]4512[O]1c2c(C=[N]6CCOCCOCC[N]7[Ni]16([O]4C)([O]5c1c(C=3)cccc1)Oc1ccccc1C=7)cccc2.OC.OC
Title of publication	Ferromagnetic Dinuclear Nickel(II) Complex with a Schiff-base Having a Di-μ-phenolato-μ-methanol-bridged Core
Authors of publication	LIM, Jongwan; SHIN, Yunseok; RYU, Sanghoon; MITSUHASHI, Ryoji; OMOTE, Masataka; SAKIYAMA, Hiroshi; MIKURIYA, Masahiro
Journal of publication	X-ray Structure Analysis Online
Year of publication	2017
Journal volume	33
Journal issue	0
Pages of publication	21
a	18.157 ± 0.002 Å
b	13.1691 ± 0.0017 Å
c	18.88 ± 0.003 Å
α	90°
β	110.483 ± 0.002°
γ	90°
Cell volume	4229 ± 1 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0663
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1342
Weighted residual factors for all reflections included in the refinement	0.1455
Goodness-of-fit parameter for all reflections included in the refinement	0.926
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
216198 (current)	2019-06-20	cif/ Adding structures of 1551588 via cif-deposit CGI script.	1551588.cif