Crystallography Open Database

Information card for entry 7017569

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Structure parameters

Formula	C41 H45 F6 N4 O7 P Zn2
Calculated formula	C41 H45 F6 N4 O7 P Zn2
Title of publication	The role of Zn-OR and Zn-OH nucleophiles and the influence of para-substituents in the reactions of binuclear phosphatase mimetics.
Authors of publication	Daumann, Lena J.; Dalle, Kristian E.; Schenk, Gerhard; McGeary, Ross P.; Bernhardt, Paul V.; Ollis, David L.; Gahan, Lawrence R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	6
Pages of publication	1695 - 1708
a	10.4535 ± 0.0007 Å
b	13.1726 ± 0.0008 Å
c	16.4175 ± 0.0008 Å
α	83.319 ± 0.005°
β	85.597 ± 0.005°
γ	84.177 ± 0.005°
Cell volume	2228.9 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1673
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.0713
Weighted residual factors for all reflections included in the refinement	0.0855
Goodness-of-fit parameter for all reflections included in the refinement	0.704
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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