Crystallography Open Database

Information card for entry 7710137

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Coordinates	7710137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H112 Bi2 Cu2 I16 N8
Calculated formula	C48 H112 Bi2 Cu2 I16 N8
Title of publication	Dehydration-activated structural phase transition in a two-dimensional hybrid double perovskite
Authors of publication	Ren , Rui-Ying; Su, Chang-Yuan; Shao , Ting; Zhang, Zhixu; Huang, Pei-Zhi; Zhang, Yi; Jia, Qiang-Qiang; Fu, Da-Wei
Journal of publication	Dalton Transactions
Year of publication	2022
a	18.7108 ± 0.0011 Å
b	17.4002 ± 0.0011 Å
c	26.3343 ± 0.0016 Å
α	90°
β	90.686 ± 0.003°
γ	90°
Cell volume	8573.1 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0934
Residual factor for significantly intense reflections	0.0724
Weighted residual factors for significantly intense reflections	0.1503
Weighted residual factors for all reflections included in the refinement	0.1616
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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