Crystallography Open Database

Information card for entry 4350015

Preview

Coordinates	4350015.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H64 Cl3 N8 O11 Tb
Calculated formula	C44 H64 Cl3 N8 O11 Tb
SMILES	[Tb]123456([n]7c8c9[n]1c(C(NCCCC)=[O]4)ccc9ccc8ccc7C(NCCCC)=[O]3)([n]1c3c4[n]2c(C(NCCCC)=[O]6)ccc4ccc3ccc1C(NCCCC)=[O]5)[OH2].[Cl-].[Cl-].[Cl-].O.O.O.O.O.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	17.7872 ± 0.0005 Å
b	15.8545 ± 0.0004 Å
c	18.2894 ± 0.0005 Å
α	90°
β	90.718 ± 0.002°
γ	90°
Cell volume	5157.3 ± 0.2 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
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	0.0588
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1182
Weighted residual factors for all reflections included in the refinement	0.1262
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
237942 (current)	2019-11-24	cif/ Adding structures of 4350010, 4350011, 4350012, 4350013, 4350014, 4350015 via cif-deposit CGI script.	4350015.cif