Crystallography Open Database

Information card for entry 1564471

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Coordinates	1564471.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32.58 H32.31 Cl Mn N4 O6.58
Calculated formula	C32.578 H32.312 Cl Mn N4 O6.578
Title of publication	Mn(III), Zn(II) and Pt(II) macroacyclic complexes: Synthesis, X-ray structures, anticancer and antioxidant activities
Authors of publication	Keypour, Hassan; Ansari, Neda; Mahmoudabadi, Masoumeh; Karamian, Roya; Moazzami Farida, Seyed Hamed; Eslami Moghadam, Mahboube; William Gable, Robert
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	509
Pages of publication	119705
a	8.801 ± 0.0001 Å
b	17.1118 ± 0.0002 Å
c	10.4302 ± 0.0001 Å
α	90°
β	92.78 ± 0.001°
γ	90°
Cell volume	1568.95 ± 0.03 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0359
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.0893
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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

Version history

Revision	Date	Message	Files
268315 (current)	2021-08-31	cif/ Adding structures of 1564471 via cif-deposit CGI script.	1564471.cif