Crystallography Open Database

Information card for entry 7250679

Preview

Coordinates	7250679.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H34 Cl2 Hg N4 O S3
Calculated formula	C30 H34 Cl2 Hg N4 O S3
Title of publication	Beckmann rearrangement of ketoximes for accessing amides and lactams promoted by a perimidine-2-thione supported Hg(ii) complex: a mechanistic perception
Authors of publication	Velmurugan, Priyanka; Kanniyappan, Poovarasan; Ghatak, Tapas
Journal of publication	RSC Advances
Year of publication	2025
Journal volume	15
Journal issue	30
Pages of publication	24317 - 24330
a	9.2166 ± 0.0007 Å
b	13.6839 ± 0.0009 Å
c	13.696 ± 0.0009 Å
α	74.558 ± 0.002°
β	76.599 ± 0.002°
γ	79.748 ± 0.002°
Cell volume	1607.14 ± 0.19 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 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	0.1196
Residual factor for significantly intense reflections	0.0602
Weighted residual factors for significantly intense reflections	0.1538
Weighted residual factors for all reflections included in the refinement	0.1822
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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