Crystallography Open Database

Information card for entry 1572419

Preview

Coordinates	1572419.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H12 Ag Br2 N
Calculated formula	C4 H12 Ag Br2 N
Title of publication	Ultralow thermal conductivity and thermally-deactivated electrical transport in a 1D silver array with alternating δ-bonds.
Authors of publication	Hassan, Nahid; Nagaraja, Suneetha; Saha, Sauvik; Tarafder, Kartick; Ballav, Nirmalya
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	38
Pages of publication	15907 - 15912
a	6.7923 ± 0.001 Å
b	9.1285 ± 0.0016 Å
c	15.017 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	931.1 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	71
Hermann-Mauguin space group symbol	I m m m
Hall space group symbol	-I 2 2
Residual factor for all reflections	0.026
Residual factor for significantly intense reflections	0.0234
Weighted residual factors for significantly intense reflections	0.0445
Weighted residual factors for all reflections included in the refinement	0.0454
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
295200 (current)	2024-10-06	cif/ Updating files of 1572417, 1572418, 1572419 Original log message: Adding full bibliography for 1572417--1572419.cif.	1572419.cif
294279	2024-08-30	cif/ Adding structures of 1572417, 1572418, 1572419 via cif-deposit CGI script.	1572419.cif