Crystallography Open Database

Information card for entry 7057304

Preview

Coordinates	7057304.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H110 Co7 N6 O34 P6
Calculated formula	C70 H110 Co7 N6 O34 P6
Title of publication	New molecular heptanuclear cobalt phosphonates: synthesis, structures and magnetic properties
Authors of publication	Doroshenko, Iaroslav; Babiak, Michal; Buchholz, Axel; Görls, Helmar; Plass, Winfried; Pinkas, Jiri
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	12
Pages of publication	9568
a	13.7963 ± 0.0001 Å
b	12.3981 ± 0.0001 Å
c	26.5916 ± 0.0003 Å
α	90°
β	93.839 ± 0.001°
γ	90°
Cell volume	4538.23 ± 0.07 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
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	0.0482
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1043
Weighted residual factors for all reflections included in the refinement	0.1048
Goodness-of-fit parameter for all reflections included in the refinement	1.242
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MolybdenumKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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