Crystallography Open Database

Information card for entry 1569438

Preview

Coordinates	1569438.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H30 Cd Cl2 N8 O15
Calculated formula	C24 H30 Cd Cl2 N8 O15
SMILES	[Cd]([n]1cc(ccc1)C(=O)N)([n]1cc(ccc1)C(=O)N)([n]1cc(ccc1)C(=O)N)([OH2])([OH2])[OH2].n1cc(ccc1)C(=O)N.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
Title of publication	The Anion Impact on Dimensionality of Cadmium(II) Complexes with Nicotinamide
Authors of publication	Soldin, Željka; Kukovec, Boris-Marko; Kovačić, Milica; Đaković, Marijana; Popović, Zora
Journal of publication	Chemistry
Year of publication	2023
Journal volume	5
Journal issue	2
Pages of publication	1357 - 1368
a	7.4629 ± 0.0002 Å
b	24.0425 ± 0.0006 Å
c	18.6052 ± 0.0004 Å
α	90°
β	92.373 ± 0.002°
γ	90°
Cell volume	3335.41 ± 0.14 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.045
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.097
Weighted residual factors for all reflections included in the refinement	0.1002
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
284987 (current)	2023-07-05	cif/ Adding structures of 1569438 via cif-deposit CGI script.	1569438.cif