Crystallography Open Database

Information card for entry 7059440

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Coordinates	7059440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H88 Cl2 Er2 N11 O31 P3
Calculated formula	C86 H88 Cl2 Er2 N11 O31 P3
Title of publication	One-dimensional lanthanide coordination polymers supported by pentadentate Schiff-base and diphenyl phosphate ligands: single molecule magnet behavior and photoluminescence
Authors of publication	Peng, Guo; Chen, Yue; Li, Bo
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	18
Pages of publication	7270 - 7276
a	13.0197 ± 0.0005 Å
b	25.395 ± 0.0011 Å
c	28.8323 ± 0.0013 Å
α	90°
β	99.94 ± 0.002°
γ	90°
Cell volume	9389.9 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1325
Residual factor for significantly intense reflections	0.0847
Weighted residual factors for significantly intense reflections	0.1885
Weighted residual factors for all reflections included in the refinement	0.2098
Goodness-of-fit parameter for all reflections included in the refinement	1.171
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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