Crystallography Open Database

Information card for entry 7062066

7062065 << 7062066 >> 7062067

Preview

Coordinates	7062066.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H70 O16 P2 Tb2
Calculated formula	C56 H70 O16 P2 Tb2
Title of publication	Multifunctional LnIII complexes with SMM, luminescence and MCE properties constructed using selected phosphine oxide and diketonate
Authors of publication	Yan, Han; Che, Zi-Wei; Sun, Wen-Bin
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	1
Pages of publication	140 - 146
a	11.0522 ± 0.0005 Å
b	12.2463 ± 0.0004 Å
c	12.2833 ± 0.0005 Å
α	116.775 ± 0.004°
β	94.703 ± 0.003°
γ	90.557 ± 0.003°
Cell volume	1477.24 ± 0.12 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0458
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0561
Weighted residual factors for all reflections included in the refinement	0.0591
Goodness-of-fit parameter for all reflections included in the refinement	0.978
Diffraction radiation probe	x-ray
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
281495 (current)	2023-03-04	cif/ Updating files of 7062065, 7062066, 7062067, 7062068, 7062069, 7062070 Original log message: Adding full bibliography for 7062065--7062070.cif.	7062066.cif
279303	2022-11-16	cif/ Adding structures of 7062065, 7062066, 7062067, 7062068, 7062069, 7062070 via cif-deposit CGI script.	7062066.cif