Crystallography Open Database

Information card for entry 4349686

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Coordinates	4349686.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H113 Er2 Ga4 N5 O26
Calculated formula	C90 H113 Er2 Ga4 N5 O26
Title of publication	Systematic studies of hexanuclear {MIII4LnIII2} complexes (M = Fe, Ga; Ln = Er, Ho): structures, magnetic properties and SMM behavior
Authors of publication	Chen, Sihuai; Mereacre, Valeriu; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2017
Journal volume	4
Journal issue	6
Pages of publication	927
a	15.0782 ± 0.0004 Å
b	29.1333 ± 0.0006 Å
c	22.2449 ± 0.0007 Å
α	90°
β	106.817 ± 0.003°
γ	90°
Cell volume	9353.8 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0452
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0622
Weighted residual factors for all reflections included in the refinement	0.0673
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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