Crystallography Open Database

Information card for entry 7128440

Preview

Coordinates	7128440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H28 Cl6 Mn N4
Calculated formula	C10 H28 Cl6 Mn N4
SMILES	[Mn](Cl)(Cl)([Cl-])[Cl-].[Cl-].[Cl-].[NH+]1(CC[NH2+]CC1)C.[NH+]1(CC[NH2+]CC1)C
Title of publication	Enhancement of the photoluminescence efficiency of hybrid manganese halides through rational structural design.
Authors of publication	Pan, Hong-Mei; Yang, Qian-Lu; Xing, Xin-Xin; Li, Jia-Peng; Meng, Fan-Lei; Zhang, Xin; Xiao, Pan-Chao; Yue, Cheng-Yang; Lei, Xiao-Wu
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	56
Pages of publication	6907 - 6910
a	8.0465 ± 0.0001 Å
b	15.391 ± 0.0001 Å
c	16.9396 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	2097.86 ± 0.03 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.026
Residual factor for significantly intense reflections	0.0246
Weighted residual factors for significantly intense reflections	0.061
Weighted residual factors for all reflections included in the refinement	0.0621
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
268515 (current)	2021-09-06	cif/ Updating files of 7128436, 7128437, 7128438, 7128439, 7128440 Original log message: Adding full bibliography for 7128436--7128440.cif.	7128440.cif
266232	2021-06-08	cif/ Adding structures of 7128436, 7128437, 7128438, 7128439, 7128440 via cif-deposit CGI script.	7128440.cif