Crystallography Open Database

Information card for entry 7061701

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Coordinates	7061701.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H116 N4 O6 Zn2
Calculated formula	C98 H116 N4 O6 Zn2
Title of publication	Synthesis and characterization of a double helical dinuclear Zn–salen complex and its application in the detection of nitroaromatics
Authors of publication	Malik, Payal; Jain, Isha
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	32
Pages of publication	15296 - 15300
a	17.642 ± 0.006 Å
b	19.539 ± 0.007 Å
c	26.908 ± 0.009 Å
α	100.238 ± 0.015°
β	98.553 ± 0.014°
γ	91.101 ± 0.016°
Cell volume	9016 ± 5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1321
Residual factor for significantly intense reflections	0.0789
Weighted residual factors for significantly intense reflections	0.1632
Weighted residual factors for all reflections included in the refinement	0.1975
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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