Crystallography Open Database

Information card for entry 7229342

Preview

Coordinates	7229342.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H54 Cl4 N4 Ni2 O18 Sr
Calculated formula	C42 H54 Cl4 N4 Ni2 O18 Sr
SMILES	c12c([O]3C)cccc1C=[N]1OCCO[N]4=Cc5c6ccccc6c6C=[N]7OCCO[N]8=Cc9c(c(ccc9)[O]9C)[O]%10[Ni]78(OC(=[O]7)C)([OH]C)[O]8c6c5[O]5[Ni]14(OC(=[O]1)C)([OH]C)[O]2[Sr]135789%10.OC.C(Cl)Cl.OC.C(Cl)Cl
Title of publication	Tri- and hexanuclear heterometallic Ni(ii)‒M(ii) (M = Ca, Sr and Ba) bis(salamo)-type complexes: synthesis, structure and fluorescence properties
Authors of publication	Dong, Xiu-Yan; Li, Xiao-Yan; Liu, Ling-Zhi; Zhang, Han; Ding, Yu-Jie; Dong, Wen-Kui
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	76
Pages of publication	48394
a	23.662 ± 0.0005 Å
b	17.8187 ± 0.0005 Å
c	12.4666 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	5256.2 ± 0.2 Å³
Cell temperature	154.89 ± 0.1 K
Ambient diffraction temperature	154.89 ± 0.1 K
Number of distinct elements	7
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.082
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.0888
Weighted residual factors for all reflections included in the refinement	0.1022
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation probe	x-ray
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
202050 (current)	2017-10-17	cif/ Adding structures of 7229341, 7229342, 7229343 via cif-deposit CGI script.	7229342.cif