Crystallography Open Database

Information card for entry 7039503

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Coordinates	7039503.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H22 Br2 Cl2 Hg N4
Calculated formula	C32 H22 Br2 Cl2 Hg N4
Title of publication	Conformational variety of flexible mono-dentate ligands in coordination compounds: influence of π-involving interactions.
Authors of publication	Khavasi, Hamid Reza; Kavand, Sima
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	26
Pages of publication	10761 - 10770
a	37.566 ± 0.004 Å
b	5.2293 ± 0.0005 Å
c	16.778 ± 0.002 Å
α	90°
β	115.093 ± 0.009°
γ	90°
Cell volume	2984.9 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0821
Residual factor for significantly intense reflections	0.0752
Weighted residual factors for significantly intense reflections	0.1197
Weighted residual factors for all reflections included in the refinement	0.1423
Goodness-of-fit parameter for all reflections included in the refinement	0.96
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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