Crystallography Open Database

Information card for entry 7133170

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Coordinates	7133170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H54 Cl7 Hg N3
Calculated formula	C56 H54 Cl7 Hg N3
Title of publication	Carbazole-embedded <i>p</i>-benziporphyrinoid: synthesis, structure and a reversible chemodosimeter for mercury(II) ions.
Authors of publication	Naniyil, Athira; Koroth Valappil, Naveen; Andrews, Alex P.; Gokulnath, Sabapathi
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	54
Pages of publication	6957 - 6960
a	43.456 ± 0.01 Å
b	43.456 ± 0.01 Å
c	14.847 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	24281 ± 10 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.2334
Residual factor for significantly intense reflections	0.0926
Weighted residual factors for significantly intense reflections	0.2415
Weighted residual factors for all reflections included in the refinement	0.3426
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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