Crystallography Open Database

Information card for entry 7125728

Preview

Coordinates	7125728.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H12 Cd Cl N O6 S2
Calculated formula	C4 H12 Cd Cl N O6 S2
Title of publication	A moisture-stable organosulfonate-based metal-organic framework with intrinsic self-trapped white-light emission.
Authors of publication	Zhang, Guiyang; Yin, Jinlin; Song, Xueling; Fei, Honghan
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	9
Pages of publication	1325 - 1328
a	8.0898 ± 0.0009 Å
b	8.7429 ± 0.0011 Å
c	9.3861 ± 0.0011 Å
α	113.63 ± 0.004°
β	100.423 ± 0.004°
γ	106.839 ± 0.004°
Cell volume	547.71 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0199
Residual factor for significantly intense reflections	0.018
Weighted residual factors for significantly intense reflections	0.0468
Weighted residual factors for all reflections included in the refinement	0.048
Goodness-of-fit parameter for all reflections included in the refinement	1.19
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
247612 (current)	2020-02-04	cif/ Updating files of 7125728 Original log message: Adding full bibliography for 7125728.cif.	7125728.cif
246516	2020-01-04	cif/ Adding structures of 7125728 via cif-deposit CGI script.	7125728.cif