Crystallography Open Database

Information card for entry 2022918

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Preview

Coordinates	2022918.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[[tetraaqua(μ-1,3,4,7,8,10,12,13,16,17,19,22-dodecaazatetracyclo[8.8.4.1^3,17^.1^8,12^]tetracosane-5,6,14,15,20,21-hexaonato)iron(IV)dilithium] tetrahydrate]
Formula	C12 H28 Fe Li2 N12 O14
Calculated formula	C12 H28 Fe Li2 N12 O14
Title of publication	Crystal structure and Hirshfeld surface analysis of poly[[tetra-aqua-(μ-1,3,4,7,8,10,12,13,16,17,19,22-dodeca-aza-tetra-cyclo-[8.8.4.1<sup>3,17</sup>.1<sup>8,12</sup>]tetra-cosane-5,6,14,15,20,21-hexaonato)iron(IV)dilithium] tetra-hydrate].
Authors of publication	Plutenko, Maksym O.; Shova, Sergiu; Pavlenko, Vadim A.; Golenya, Irina A.; Fritsky, Igor O.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2023
Journal volume	79
Journal issue	Pt 11
Pages of publication	1059 - 1062
a	25.4076 ± 0.0008 Å
b	9.9854 ± 0.0002 Å
c	22.357 ± 0.0008 Å
α	90°
β	120.265 ± 0.005°
γ	90°
Cell volume	4899 ± 0.4 Å³
Cell temperature	240 ± 2 K
Ambient diffraction temperature	240 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0453
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0789
Weighted residual factors for all reflections included in the refinement	0.0856
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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