Crystallography Open Database

Information card for entry 1564065

Preview

Coordinates	1564065.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H64 Cl8 F12 Gd2 N4 O16 P2
Calculated formula	C50 H64 Cl8 F12 Gd2 N4 O16 P2
SMILES	[P](F)(F)(F)(F)(F)[F-].[O]1(c2c3c(ccc2)C=[NH+]CCC[NH+]=Cc2c4c(ccc2)[O]([Gd]25671([O]=C(O[Gd]189%10([O]=C(O7)C)([O]2C(=[O]8)C)([O]5C(=[O]6)C)Oc2c(cccc2[O]%10C)C=[NH+]CCC[NH+]=Cc2c(O9)c([O]1C)ccc2)C)(O4)O3)C)C.C(Cl)Cl.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl
Title of publication	Luminescence and structure of a family of salen type dinuclear lanthanide complexes
Authors of publication	Zou, Xiaoyan; Du, Chenyu; Dong, Yanping; Li, Guangming
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	512
Pages of publication	119860
a	12.2665 ± 0.0008 Å
b	23.2104 ± 0.0016 Å
c	15.2805 ± 0.0008 Å
α	90°
β	126.165 ± 0.004°
γ	90°
Cell volume	3512.3 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0885
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1196
Weighted residual factors for all reflections included in the refinement	0.1334
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
267397 (current)	2021-07-08	cif/ Adding structures of 1564062, 1564063, 1564064, 1564065, 1564066 via cif-deposit CGI script.	1564065.cif