Crystallography Open Database

Information card for entry 1508170

Preview

Coordinates	1508170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112.5 H116 Cl4 N14 O25.5 Zn2
Calculated formula	C112.5 H102 Cl4 N14 O25.5 Zn2
Title of publication	Optically pure, water-stable metallo-helical 'flexicate' assemblies with antibiotic activity.
Authors of publication	Howson, Suzanne E.; Bolhuis, Albert; Brabec, Viktor; Clarkson, Guy J.; Malina, Jaroslav; Rodger, Alison; Scott, Peter
Journal of publication	Nature chemistry
Year of publication	2012
Journal volume	4
Journal issue	1
Pages of publication	31 - 36
a	12.4175 ± 0.0018 Å
b	12.4175 ± 0.0018 Å
c	66.702 ± 0.013 Å
α	90°
β	90°
γ	120°
Cell volume	8907 ± 3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	151
Hermann-Mauguin space group symbol	P 31 1 2
Hall space group symbol	P 31 2 (0 0 4)
Residual factor for all reflections	0.1128
Residual factor for significantly intense reflections	0.0828
Weighted residual factors for significantly intense reflections	0.2166
Weighted residual factors for all reflections included in the refinement	0.2495
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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