Crystallography Open Database

Information card for entry 7229341

Preview

Coordinates	7229341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H56 Ca Cl6 N4 Ni2 O18
Calculated formula	C44 H56 Ca Cl6 N4 Ni2 O18
SMILES	C[O]1c2c3c(ccc2)C=[N]2[Ni]456([O]7[Ca]89%101([O]1[Ni]%11%12([N](=Cc%13c1c7c(C=[N]4OCCO2)c1c%13cccc1)OCCO[N]%11=Cc1cccc(c1[O]8%12)[O]9C)([O]=C(C)O%10)[OH]C)([O]35)[O]=C(C)O6)[OH]C.C(C)O.C(C)O.C(Cl)(Cl)Cl.C(Cl)(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	15.4086 ± 0.0008 Å
b	12.0628 ± 0.0006 Å
c	29.5294 ± 0.0009 Å
α	90°
β	100.627 ± 0.005°
γ	90°
Cell volume	5394.5 ± 0.4 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0645
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.0959
Weighted residual factors for all reflections included in the refinement	0.0986
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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.	7229341.cif