Crystallography Open Database

Information card for entry 8107495

Preview

Coordinates	8107495.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H78 Dy2 N4 O28
Calculated formula	C84 H78 Dy2 N4 O28
Title of publication	Crystal structure of bis{μ2-(4-acetyl-phenoxy)acetato-κ2 O:O′}-bis{μ2-(4-acetyl-phenoxy)acetato-κ3 O,O′:O)- bis{(4-acetyl-phenoxy)acetato-κ2 O,O′}-bis(phenanthrolin-κ2 N,N′)didysprosium(III) tetrahydrate, C84H78N4O28Dy2
Authors of publication	Wang, Li-Hua; Tai, Hao-Wen; Zhao, Mei-Li; Tai, Xi-Shi
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	3
Pages of publication	563 - 565
a	12.3134 ± 0.0005 Å
b	12.7705 ± 0.0005 Å
c	14.515 ± 0.0006 Å
α	70.852 ± 0.001°
β	80.298 ± 0.001°
γ	65.726 ± 0.001°
Cell volume	1964.05 ± 0.14 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 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	0.0545
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0621
Weighted residual factors for all reflections included in the refinement	0.0682
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
285982 (current)	2023-09-04	cif/ Adding structures of 8107495 via cif-deposit CGI script.	8107495.cif