Crystallography Open Database

Information card for entry 7242407

Preview

Coordinates	7242407.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H46 Co3 N6 O26 S4
Calculated formula	C42 H46 Co3 N6 O26 S4
Title of publication	Synthesis, structure and the Hirshfeld surface analysis of three novel metal-tiron coordination complexes
Authors of publication	Tiwari, Ranjay K.; Shruti, Ipsha; Behera, J. N.
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	18
Pages of publication	10767 - 10776
a	9.0487 ± 0.0004 Å
b	10.2616 ± 0.0003 Å
c	16.0633 ± 0.0004 Å
α	75.272 ± 0.002°
β	89.528 ± 0.003°
γ	66.293 ± 0.004°
Cell volume	1313.35 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0907
Residual factor for significantly intense reflections	0.0852
Weighted residual factors for significantly intense reflections	0.2365
Weighted residual factors for all reflections included in the refinement	0.2435
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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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