Crystallography Open Database

Information card for entry 7062069

7062068 << 7062069 >> 7062070

Preview

Coordinates	7062069.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H70 Gd2 O16 P2
Calculated formula	C56 H70 Gd2 O16 P2
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	11.0947 ± 0.0006 Å
b	12.2688 ± 0.0007 Å
c	12.3032 ± 0.0007 Å
α	116.703 ± 0.006°
β	94.714 ± 0.004°
γ	90.564 ± 0.004°
Cell volume	1488.97 ± 0.17 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	0.0775
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.051
Weighted residual factors for all reflections included in the refinement	0.0544
Goodness-of-fit parameter for all reflections included in the refinement	0.907
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.	7062069.cif
279303	2022-11-16	cif/ Adding structures of 7062065, 7062066, 7062067, 7062068, 7062069, 7062070 via cif-deposit CGI script.	7062069.cif