Crystallography Open Database

Information card for entry 7063242

Preview

Coordinates	7063242.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H44 Cl12 Gd N4 O16 P5
Calculated formula	C40 H44 Cl12 Gd N4 O16 P5
Title of publication	The influence of different cations on the structure and spectral properties of Ln3+ tetrakis-complexes with the CAPh-type ligand dimethyl-N-trichloroacetylamidophosphate
Authors of publication	Struhatska, Mariia B.; Kariaka, Nataliia S.; Dyakonenko, Viktoriya V.; Shishkina, Svitlana V.; Smola, Sergii S.; Rusakova, Nataliia V.; Gawryszewska, Paula; Malta, Oscar L.; Carneiro Neto, Albano N.; Trush, Viktor O.; Amirkhanov, Volodymyr M.
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	26
Pages of publication	11886 - 11898
a	19.8828 ± 0.0008 Å
b	19.1092 ± 0.0008 Å
c	17.3678 ± 0.0006 Å
α	90°
β	110.925 ± 0.003°
γ	90°
Cell volume	6163.6 ± 0.4 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0926
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1261
Weighted residual factors for all reflections included in the refinement	0.1438
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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
293200 (current)	2024-07-05	cif/ Updating files of 7063240, 7063241, 7063242 Original log message: Adding full bibliography for 7063240--7063242.cif.	7063242.cif
292194	2024-06-05	cif/ Adding structures of 7063240, 7063241, 7063242 via cif-deposit CGI script.	7063242.cif