Crystallography Open Database

Information card for entry 7718741

Preview

Coordinates	7718741.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H12 Br1.98 Cd Cl2.02 N2 O0
Calculated formula	C7 H12 Br1.976 Cd Cl2.024 N2
Title of publication	Dimensionality-driven photoluminescence enhancement in Cl/Br mixed-halide organic-inorganic hybrid cadmium halides.
Authors of publication	Kim, Boyoung; Ok, Kang Min
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	23
Pages of publication	9261 - 9269
a	6.5194 ± 0.0002 Å
b	9.2971 ± 0.0003 Å
c	11.4021 ± 0.0003 Å
α	87.568 ± 0.001°
β	87.935 ± 0.001°
γ	84.499 ± 0.001°
Cell volume	686.94 ± 0.04 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0422
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0762
Weighted residual factors for all reflections included in the refinement	0.0863
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
300940 (current)	2025-07-06	cif/ Updating files of 7718739, 7718740, 7718741, 7718742 Original log message: Adding full bibliography for 7718739--7718742.cif.	7718741.cif
299712	2025-05-17	cif/ Adding structures of 7718739, 7718740, 7718741, 7718742 via cif-deposit CGI script.	7718741.cif