Crystallography Open Database

Information card for entry 7231737

Preview

Coordinates	7231737.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H12 Hg N6 O S2
Calculated formula	C15 H12 Hg N6 O S2
Title of publication	Modulation of coordination in pincer-type isonicotinohydrazone Schiff base ligands by proton transfer
Authors of publication	Mahmoudi, Ghodrat; Khandar, Ali Akbar; Afkhami, Farhad Akbari; Miroslaw, Barbara; Gurbanov, Atash V.; Zubkov, Fedor I.; Kennedy, Alan; Franconetti, Antonio; Frontera, Antonio
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	1
Pages of publication	108
a	12.9176 ± 0.0003 Å
b	7.7756 ± 0.0002 Å
c	17.4321 ± 0.0004 Å
α	90°
β	93.026 ± 0.001°
γ	90°
Cell volume	1748.48 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.046
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0441
Weighted residual factors for all reflections included in the refinement	0.0497
Goodness-of-fit parameter for all reflections included in the refinement	0.9895
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223522 (current)	2019-11-07	cif/ Updating files of 7231736, 7231737 Original log message: Adding full bibliography for 7231736--7231737.cif.	7231737.cif
211713	2018-10-31	cif/ Adding structures of 7231736, 7231737 via cif-deposit CGI script.	7231737.cif