Crystallography Open Database

Information card for entry 4519200

4519199 << 4519200 >> 4519201

Preview

Coordinates	4519200.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H48 Ag Br8 In N4
Calculated formula	C32 H48 Ag Br8 In N4
SMILES	[In](Br)(Br)(Br)([Br][Ag](Br)Br)(Br)Br.[NH3+]CCc1ccccc1.[NH3+]CCc1ccccc1.[NH3+]CCc1ccccc1.[NH3+]CCc1ccccc1
Title of publication	Decreasing Structural Dimensionality of Double Perovskites for Phase Stabilization toward Efficient X-ray Detection.
Authors of publication	Chen, Da; Niu, Guangda; Hao, Shiqiang; Fan, Liubing; Zhao, Jing; Wolverton, Christopher; Xia, Mengling; Liu, Quanlin
Journal of publication	ACS applied materials & interfaces
Year of publication	2021
Journal volume	13
Journal issue	51
Pages of publication	61447 - 61453
a	11.34511 ± 0.0001 Å
b	11.51794 ± 0.00011 Å
c	17.21017 ± 0.00017 Å
α	107.002 ± 0.0009°
β	100.938 ± 0.0008°
γ	90.5325 ± 0.0007°
Cell volume	2106.5 ± 0.04 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0346
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0975
Weighted residual factors for all reflections included in the refinement	0.0987
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
271696 (current)	2022-01-03	cif/ Adding structures of 4519200 via cif-deposit CGI script.	4519200.cif