Crystallography Open Database

Information card for entry 4350013

Preview

Coordinates	4350013.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H58 Cl2 N9 O17 Tb
Calculated formula	C45 H58 Cl2 N9 O17 Tb
SMILES	[Tb]1234567([n]8c(C(NCCCC)=[O]3)ccc3ccc9c([n]1c(cc9)C(NCCCC)=[O]4)c83)([n]1c(C(NCCCC)=[O]5)ccc3c1c1[n]2c(ccc1cc3)C(NCCCC)=[O]6)ON(=[O]7)=O.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].OC.O
Title of publication	Syntheses, crystal structures and magnetic properties of a series of luminescent lanthanide complexes containing neutral tetradentate phenanthroline-amide ligands
Authors of publication	Su, Qian-Qian; Fan, Kun; Jin, Xin-Xin; Huang, Xin-Da; Cheng, Shun-Cheung; Luo, Li-Juan; Li, Yao-Jie; Xiang, Jing; Ko, Chi-Chiu; Zheng, Li-Min; Lau, Tai-Chu
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2019
Journal volume	6
Journal issue	6
Pages of publication	1442
a	11.1117 ± 0.0007 Å
b	14.8294 ± 0.0007 Å
c	17.051 ± 0.001 Å
α	109.676 ± 0.005°
β	104.801 ± 0.006°
γ	93.316 ± 0.004°
Cell volume	2525.7 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0921
Residual factor for significantly intense reflections	0.0732
Weighted residual factors for significantly intense reflections	0.1965
Weighted residual factors for all reflections included in the refinement	0.2107
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237942 (current)	2019-11-24	cif/ Adding structures of 4350010, 4350011, 4350012, 4350013, 4350014, 4350015 via cif-deposit CGI script.	4350013.cif