Crystallography Open Database

Information card for entry 7057549

Preview

Coordinates	7057549.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47.5 H40.25 F12 Hg N6.75 O4 P2
Calculated formula	C47.5 H40.25 F12 Hg N6.75 O4 P2
Title of publication	NHC Hg(ii) and Pd(ii) complexes based on 1,8-dihydroxy-9,10-anthraquinone: synthesis, structure and catalysis
Authors of publication	Zhao, Zhi-Xiang; Hu, Ze-Liang; Yu, Shao-Cong; Liu, Qing-Xiang
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	16
Pages of publication	13329
a	13.5575 ± 0.001 Å
b	13.6764 ± 0.001 Å
c	15.6816 ± 0.0012 Å
α	79.751 ± 0.001°
β	76.113 ± 0.001°
γ	68.303 ± 0.001°
Cell volume	2609.8 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.0681
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1248
Weighted residual factors for all reflections included in the refinement	0.1372
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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