Crystallography Open Database

Information card for entry 7056638

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Coordinates	7056638.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H54 Ba Fe2 O20
Calculated formula	C36 H54 Ba Fe2 O20
Title of publication	A facile synthesis, crystal structure and bioactivity evaluation of two novel barium complexes based on 2,4,6-trichlorophenoxyacetic acid and o-ferrocenylcarbonyl benzoic acid
Authors of publication	Xu, Xiu ling; Hu, Fan; Shuai, Qi
Journal of publication	New J. Chem.
Year of publication	2017
Journal volume	41
Journal issue	22
Pages of publication	13319 - 13326
a	9.3623 ± 0.0006 Å
b	11.8133 ± 0.0015 Å
c	20.503 ± 0.002 Å
α	77.734 ± 0.001°
β	89.018 ± 0.002°
γ	89.116 ± 0.002°
Cell volume	2215.4 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1658
Residual factor for significantly intense reflections	0.0993
Weighted residual factors for significantly intense reflections	0.2312
Weighted residual factors for all reflections included in the refinement	0.2936
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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