Crystallography Open Database

Information card for entry 1567250

Preview

Coordinates	1567250.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H9 Br N2
Calculated formula	C6 H9 Br N2
SMILES	[Br-].[NH3+]Cc1ccncc1
Title of publication	AgX-based hybrid coordination polymers: mechanochemical synthesis, structure and luminescence property characterization.
Authors of publication	Zuffa, Caterina; Cappuccino, Chiara; Marchini, Marianna; Contini, Laura; Farinella, Francesco; Maini, Lucia
Journal of publication	Faraday discussions
Year of publication	2023
Journal volume	241
Journal issue	0
Pages of publication	448 - 465
a	7.8259 ± 0.0005 Å
b	13.3434 ± 0.0007 Å
c	7.8729 ± 0.0008 Å
α	90°
β	103.64 ± 0.009°
γ	90°
Cell volume	798.93 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0669
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.0816
Weighted residual factors for all reflections included in the refinement	0.0913
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
281467 (current)	2023-03-04	cif/ Updating files of 1567249, 1567250, 1567251, 1567252, 1567253, 1567254 Original log message: Adding full bibliography for 1567249--1567254.cif.	1567250.cif
276717	2022-07-07	cif/ Adding structures of 1567250 via cif-deposit CGI script.	1567250.cif