Crystallography Open Database

Information card for entry 7224443

Preview

Coordinates	7224443.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 Cl3 N6 O3 Sm
Calculated formula	C20 H24 Cl3 N6 O3 Sm
SMILES	c1ccc2c3c(c4ccc[n]5c4c2[n]1[Sm]5(Cl)(Cl)(Cl)([O]=CN(C)C)([O]=CN(C)C)[OH2])nccn3
Title of publication	Photosensitized samarium(iii) and erbium(iii) complexes of planar N,N-donor heterocyclic bases: crystal structures and evaluation of biological activity
Authors of publication	Dasari, Srikanth; Abbas, Zafar; Kumar, Priyaranjan; Patra, Ashis K.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	23
Pages of publication	4313
a	7.0536 ± 0.0019 Å
b	9.661 ± 0.003 Å
c	18.08 ± 0.005 Å
α	84.809 ± 0.005°
β	78.965 ± 0.005°
γ	80.563 ± 0.005°
Cell volume	1190.7 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.028
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0618
Weighted residual factors for all reflections included in the refinement	0.063
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
185282 (current)	2016-08-07	cif/ Updating files of 7224443, 7224444, 7224445, 7224446 Original log message: Adding full bibliography for 7224443--7224446.cif.	7224443.cif
177108	2016-03-02	cif/ Adding structures of 7224443, 7224444, 7224445, 7224446 via cif-deposit CGI script.	7224443.cif