Crystallography Open Database

Information card for entry 7716747

Preview

Coordinates	7716747.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H12 Cl N3 O
Calculated formula	C13 H12 Cl N3 O
Title of publication	Synthesis and characterization of <i>cis</i> and <i>trans</i> cobalt(II) nalidixate complexes having a 1-(4-chlorophenyl)-3-(pyridin-4-ylmethyl)urea ligand.
Authors of publication	Brahma, Rinki; Singh, Abhay Pratap; Baruah, Jubaraj Bikash
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	35
Pages of publication	14678 - 14691
a	16.854 ± 0.008 Å
b	4.578 ± 0.002 Å
c	18.262 ± 0.009 Å
α	90°
β	112.507 ± 0.013°
γ	90°
Cell volume	1301.7 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0433
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0733
Weighted residual factors for all reflections included in the refinement	0.0793
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
295273 (current)	2024-10-06	cif/ Updating files of 7716747, 7716748, 7716749 Original log message: Adding full bibliography for 7716747--7716749.cif.	7716747.cif
293573	2024-07-28	cif/ Adding structures of 7716747, 7716748, 7716749 via cif-deposit CGI script.	7716747.cif