Crystallography Open Database

Information card for entry 7126578

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Coordinates	7126578.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H50 Hg N8 O11 Se4
Calculated formula	C32 H50 Hg N8 O11 Se4
Title of publication	Hg-C bond protonolysis by a functional model of bacterial enzyme organomercurial lyase MerB.
Authors of publication	Karri, Ramesh; Das, Ranajit; Rai, Rakesh Kumar; Gopalakrishnan, Anaswara; Roy, Gouriprasanna
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	65
Pages of publication	9280 - 9283
a	23.3194 ± 0.0007 Å
b	14.8183 ± 0.0003 Å
c	16.3857 ± 0.0004 Å
α	90°
β	129.828 ± 0.001°
γ	90°
Cell volume	4348.4 ± 0.2 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0316
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0622
Weighted residual factors for all reflections included in the refinement	0.0638
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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