Crystallography Open Database

Information card for entry 1558098

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Coordinates	1558098.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H144 Co2 K2 N4 O15 P8
Calculated formula	C76 H145 Co2 K2 N4 O15 P8
Title of publication	Transformations of the cyclo-P4 ligand in [Cp′′′Co(η4-P4)]
Authors of publication	Piesch, Martin; Seidl, Michael; Scheer, Manfred
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	26
Pages of publication	6745 - 6751
a	13.7131 ± 0.0002 Å
b	15.2042 ± 0.0002 Å
c	25.3794 ± 0.0003 Å
α	74.859 ± 0.001°
β	78.818 ± 0.001°
γ	65.926 ± 0.001°
Cell volume	4640.57 ± 0.11 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0344
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0773
Weighted residual factors for all reflections included in the refinement	0.0794
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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