Crystallography Open Database

Information card for entry 7128997

Preview

Coordinates	7128997.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24.62 H35 Cl0.25 N3 O4.38 S Zn
Calculated formula	C24.625 H35 Cl0.25 N3 O4.375 S Zn
Title of publication	Intramolecular H-bond stabilization of a primary hydroxylamine in salen-type metal complexes.
Authors of publication	Singh, Hardeep; MacKay, Alyson; Sheibany, Nooshin; Chen, Fei; Mosser, Maëlle; Rouet, Pierre-Étienne; Rousseau, Frédéric; Askari, Mohammad S.; Ottenwaelder, Xavier
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	80
Pages of publication	10403 - 10406
a	12.0902 ± 0.0017 Å
b	14.849 ± 0.002 Å
c	16.669 ± 0.002 Å
α	111.874 ± 0.002°
β	106.757 ± 0.002°
γ	94.825 ± 0.002°
Cell volume	2596.7 ± 0.6 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.1229
Residual factor for significantly intense reflections	0.0691
Weighted residual factors for significantly intense reflections	0.148
Weighted residual factors for all reflections included in the refinement	0.1659
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
270375 (current)	2021-11-06	cif/ Updating files of 7128990, 7128991, 7128992, 7128993, 7128994, 7128995, 7128996, 7128997, 7128998, 7128999 Original log message: Adding full bibliography for 7128990--7128999.cif.	7128997.cif
269261	2021-09-24	cif/ Adding structures of 7128990, 7128991, 7128992, 7128993, 7128994, 7128995, 7128996, 7128997, 7128998, 7128999 via cif-deposit CGI script.	7128997.cif