Crystallography Open Database

Information card for entry 7050169

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Coordinates	7050169.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52.5 H42 Cl3 N8 O8.5 Zn
Calculated formula	C52.5 H40 Cl3.02 N8 O8.5 Zn
Title of publication	Zinc(ii) mediated synthesis of an N-substituted 2-(2-pyridyl)imidazole from a 1,2-diketone and 2-(aminomethyl)pyridine and its ligational behaviour
Authors of publication	Drew, Michael G. B.; Tocher, Derek A.; Chowdhury, Kiranmoy; Chowdhury, Shubhamoy; Datta, Dipankar
Journal of publication	New Journal of Chemistry
Year of publication	2004
Journal volume	28
Journal issue	2
Pages of publication	323
a	16.513 ± 0.018 Å
b	16.513 ± 0.018 Å
c	39.02 ± 0.04 Å
α	90°
β	90°
γ	90°
Cell volume	10640 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.1336
Residual factor for significantly intense reflections	0.1177
Weighted residual factors for significantly intense reflections	0.2299
Weighted residual factors for all reflections included in the refinement	0.2402
Goodness-of-fit parameter for all reflections included in the refinement	1.243
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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