Crystallography Open Database

Information card for entry 7232779

Preview

Coordinates	7232779.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H55.5 Cl2 Fe N20 O9.75
Calculated formula	C48 H38 Cl2 Fe N20 O3
Title of publication	Solvent-induced SC‒SC transformation within the ZnII‒triazole system: a promising MnO4− selective luminescent probe
Authors of publication	Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	22
Pages of publication	3390
a	29.6595 ± 0.0007 Å
b	12.2726 ± 0.0005 Å
c	32.6526 ± 0.0009 Å
α	90°
β	100.427 ± 0.002°
γ	90°
Cell volume	11689.2 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0936
Residual factor for significantly intense reflections	0.0719
Weighted residual factors for significantly intense reflections	0.1944
Weighted residual factors for all reflections included in the refinement	0.2122
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
223490 (current)	2019-11-07	cif/ Updating files of 7232773, 7232774, 7232775, 7232776, 7232777, 7232778, 7232779 Original log message: Adding full bibliography for 7232773--7232779.cif.	7232779.cif
215124	2019-05-14	cif/ Adding structures of 7232773, 7232774, 7232775, 7232776, 7232777, 7232778, 7232779 via cif-deposit CGI script.	7232779.cif