Crystallography Open Database

Information card for entry 7062105

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Coordinates	7062105.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H59 N9 O10 Zn2
Calculated formula	C72 H59 N9 O10 Zn2
Title of publication	Amidines from cyclic amines and nitriles in the presence of zinc(ii): other nitriles in place of acetonitrile
Authors of publication	Podjed, Nina; Modec, Barbara
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	48
Pages of publication	23225 - 23238
a	9.8931 ± 0.0003 Å
b	17.7112 ± 0.0006 Å
c	19.4839 ± 0.0006 Å
α	107.957 ± 0.003°
β	98.357 ± 0.003°
γ	93.583 ± 0.003°
Cell volume	3192.21 ± 0.19 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	0.1039
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1291
Weighted residual factors for all reflections included in the refinement	0.1488
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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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