Crystallography Open Database

Information card for entry 7107586

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Coordinates	7107586.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H86 N12 O7 Zn3
Calculated formula	C66 H86 N12 O7 Zn3
Title of publication	A zinc(II) directed triple-stranded helicate incorporating a nine membered metallamacrocycle: supramolecular cylinders mimicking P1 nuclease
Authors of publication	Rakesh K. Mishra; Kaushal Kumar Upadhyay; Sachin Shukla; R. Mishra
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	4238
a	18.0652 ± 0.0012 Å
b	20.5741 ± 0.0009 Å
c	19.1857 ± 0.0017 Å
α	90°
β	114.391 ± 0.009°
γ	90°
Cell volume	6494.4 ± 0.9 Å³
Cell temperature	202.2 K
Ambient diffraction temperature	202.2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0925
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.0936
Weighted residual factors for all reflections included in the refinement	0.1133
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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