Crystallography Open Database

Information card for entry 7063170

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Coordinates	7063170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H70 N14 O10 Zn2
Calculated formula	C64 H70 N14 O10 Zn2
Title of publication	Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines
Authors of publication	Podjed, Nina; Košmrlj, Janez; Modec, Barbara
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	19
Pages of publication	8844 - 8859
a	7.346 ± 0.0002 Å
b	13.6349 ± 0.0003 Å
c	15.732 ± 0.0004 Å
α	90.652 ± 0.002°
β	96.81 ± 0.002°
γ	96.254 ± 0.002°
Cell volume	1554.85 ± 0.07 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.0535
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0878
Weighted residual factors for all reflections included in the refinement	0.0969
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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