Crystallography Open Database

Information card for entry 8107222

Preview

Coordinates	8107222.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H36 Er2 N6 O14
Calculated formula	C52 H36 Er2 N6 O14
Title of publication	Crystal structure of bis(μ2-benzoato-k2O:O′)-bis(μ2-benzoato-k3O,O′:O′)dinitrato-k2O,O′-bis(phenanthroline-k2 N,N′)dierbium(III), C52H36Er2N6O14
Authors of publication	Li, Zhang; Hai-yan, Yu; Ying-lei, Wang; Ru-lin, Li; Ying-han, Cao
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2022
Journal volume	237
Journal issue	5
Pages of publication	807 - 809
a	10.6499 ± 0.0005 Å
b	11.0111 ± 0.0005 Å
c	11.038 ± 0.0006 Å
α	85.03 ± 0.004°
β	81.502 ± 0.004°
γ	68.925 ± 0.004°
Cell volume	1193.77 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0316
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0581
Weighted residual factors for all reflections included in the refinement	0.0592
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
283915 (current)	2023-05-22	cif/ Adding structures of 8107222 via cif-deposit CGI script.	8107222.cif