Crystallography Open Database

Information card for entry 7049131

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Structure parameters

Formula	C86 H84 N6 O10 Sm2
Calculated formula	C86 H84 N6 O10 Sm2
Title of publication	Dinuclear lanthanide complexes supported by a hybrid salicylaldiminato/calix[4]arene-ligand: synthesis, structure, and magnetic and luminescence properties of (HNEt<sub>3</sub>)[Ln<sub>2</sub>(HL)(L)] (Ln = Sm<sup>III</sup>, Eu<sup>III</sup>, Gd<sup>III</sup>, Tb<sup>III</sup>).
Authors of publication	Ullmann, Steve; Hahn, Peter; Blömer, Laura; Mehnert, Anne; Laube, Christian; Abel, Bernd; Kersting, Berthold
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	12
Pages of publication	3893 - 3905
a	22.6899 ± 0.0005 Å
b	25.2258 ± 0.0005 Å
c	26.5373 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	15189.2 ± 0.5 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0548
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.1137
Weighted residual factors for all reflections included in the refinement	0.1208
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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
301850 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure.	7049131.cif
224576	2019-11-08	cif/ Updating files of 7049130, 7049131, 7049132 Original log message: Adding full bibliography for 7049130--7049132.cif.	7049131.cif
213803	2019-02-23	cif/ Adding structures of 7049130, 7049131, 7049132 via cif-deposit CGI script.	7049131.cif