Crystallography Open Database

Information card for entry 2021509

2021508 << 2021509 >> 2021510

Preview

Coordinates	2021509.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Aqua[2-(3,4-dichlorophenyl)acetato-κ<i>O</i>](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')lithium(I)
Formula	C20 H15 Cl2 Li N2 O3
Calculated formula	C20 H15 Cl2 Li N2 O3
SMILES	Clc1c(Cl)ccc(CC(=O)O[Li]2([OH2])[n]3cccc4ccc5ccc[n]2c5c34)c1
Title of publication	Crystal structure, shape analysis and bioactivity of new Li^I^, Na^I^ and Mg^II^ complexes with 1,10-phenanthroline and 2-(3,4-dichlorophenyl)acetic acid
Authors of publication	Shah, Syed Raza; Shah, Zarbad; Ullah, Najeeb; Hussain, Javid; Al-Harrasi, Rashid; Khan, Ajmal; Rawson, Jeremy M.; Al-Harrasi, Ahmed; Anwar, Muhammad U.
Journal of publication	Acta Crystallographica Section C
Year of publication	2019
Journal volume	75
Journal issue	3
a	7.056 ± 0.002 Å
b	10.226 ± 0.005 Å
c	13.451 ± 0.005 Å
α	87.21 ± 0.02°
β	86.978 ± 0.013°
γ	76.42 ± 0.02°
Cell volume	941.4 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0546
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.118
Weighted residual factors for all reflections included in the refinement	0.1284
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
213641 (current)	2019-02-14	cif/ hkl/ Adding structures of 2021509, 2021510, 2021511 via cif-deposit CGI script.	2021509.cif