Crystallography Open Database

Information card for entry 7229358

Preview

Coordinates	7229358.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H39 Ca Cl3 N4 O14 Zn2
Calculated formula	C39 H39 Ca Cl3 N4 O14 Zn2
SMILES	[Zn]1234[O]5[Ca]6789%10([O]%11[Zn]%12%13([O]9c9c5c(C=[N]2OCCO[N]4=Cc2c([O]17)c([O]6CC)ccc2)c1c(c9C=[N]%12OCCO[N]%13=Cc2c%11c([O]%10CC)ccc2)cccc1)OC(=[O]8)C)[O]=C(O3)C.ClC(Cl)Cl
Title of publication	Fluorescence properties of heterotrinuclear Zn(ii)‒M(ii) (M = Ca, Sr and Ba) bis(salamo)-type complexes
Authors of publication	Wang, Li; Li, Xiao-Yan; Zhao, Qing; Li, Li-Hong; Dong, Wen-Kui
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	77
Pages of publication	48730
a	12.4374 ± 0.0017 Å
b	12.9596 ± 0.0018 Å
c	13.3757 ± 0.0019 Å
α	84.531 ± 0.012°
β	80.178 ± 0.012°
γ	86.928 ± 0.011°
Cell volume	2113.1 ± 0.5 Å³
Cell temperature	295.42 ± 0.1 K
Ambient diffraction temperature	295.42 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1055
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.0913
Weighted residual factors for all reflections included in the refinement	0.1181
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
202100 (current)	2017-10-18	cif/ Adding structures of 7229357, 7229358, 7229359 via cif-deposit CGI script.	7229358.cif