Crystallography Open Database

Information card for entry 7713118

Preview

Coordinates	7713118.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C128 H126 F9 Lu2 N20 O20 S3 Zn2
Calculated formula	C128 H126 F9 Lu2 N20 O20 S3 Zn2
SMILES	[Lu]123456([O]7[Zn]89%10%11[O]1c1c%12C=[N]6CC[N]62CC[N]4=Cc2cc(cc(c27)C=[N]%10c2ccc(N(c4ccc(N)cc4)c4ccc([N]7[Zn]%10%13%14%15[O]%16[Lu]%17%18%19%20%21([O]%13c%13c(C=7)cc(cc%13C=[N]%19CC[N]%18(CC[N]%20=Cc7c%16c(cc(C)c7)C=[N]%15c7ccc(cc7)N(c7ccc(cc7)N)c7ccc([N]%11=Cc1cc(c%12)C)cc7)CC[N]%21=Cc1c([O]%10%17)c(cc(C)c1)C=[N]%14c1ccc(cc1)N(c1ccc(cc1)N)c1ccc([N]9=Cc7c([O]38)c(cc(C)c7)C=[N]5CC6)cc1)C)[OH2])cc4)cc2)C)[OH2].FC(F)(F)S(=O)(=O)[O-].FC(F)(S(=O)(=O)[O-])F.S(=O)(=O)([O-])C(F)(F)F.COC(C)(C)C.O.O
Title of publication	Hierarchical Subcomponent Self-assembly of Covalent Triple-stranded Complex with 3d-4f Vertices: Luminescence and Magnetic Property
Authors of publication	Zhi, Liu; Fan, Yin; Yang, Jian; Guo, Xiao-Qing; Zhou, Lipeng; Tian, Chong-Bin; Sun, Qing-Fu
Journal of publication	Dalton Transactions
Year of publication	2023
a	16.624 ± 0.003 Å
b	21.239 ± 0.003 Å
c	25.607 ± 0.004 Å
α	79.242 ± 0.003°
β	81.468 ± 0.004°
γ	70.737 ± 0.004°
Cell volume	8348 ± 2 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1293
Residual factor for significantly intense reflections	0.0673
Weighted residual factors for significantly intense reflections	0.1499
Weighted residual factors for all reflections included in the refinement	0.1791
Goodness-of-fit parameter for all reflections included in the refinement	0.932
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
283947 (current)	2023-05-23	cif/ Adding structures of 7713116, 7713117, 7713118 via cif-deposit CGI script.	7713118.cif