Crystallography Open Database

Information card for entry 4515261

Preview

Coordinates	4515261.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H15 Bi2 Cl9 N3
Calculated formula	C3 H15 Bi2 Cl9 N3
Title of publication	Design and Synthesis of 1D-Polymeric Chain Based [(CH3NH3)3Bi2Cl9]n Perovskite: A New Light Absorber Material for Lead Free Perovskite Solar Cells
Authors of publication	Ahmad, Khursheed; Ansari, Shagufi Naz; Natarajan, Kaushik; Mobin, Shaikh M.
Journal of publication	ACS Applied Energy Materials
Year of publication	2018
Journal volume	1
Journal issue	6
Pages of publication	2405
a	20.4309 ± 0.0005 Å
b	7.7088 ± 0.0002 Å
c	13.2611 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2088.59 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0492
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1132
Weighted residual factors for all reflections included in the refinement	0.1177
Goodness-of-fit parameter for all reflections included in the refinement	1.176
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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