Crystallography Open Database

Information card for entry 7709685

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Coordinates	7709685.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H66 Bi2 Cl9 N3
Calculated formula	C39 H66 Bi2 Cl9 N3
Title of publication	Symmetry breaking of A3M2X9-type perovskite derivatives induced by polar quaternary ammonium cations: achieving efficient nonlinear optical properties
Authors of publication	Wu, Jia-Jing; Guo, Yue; Yao, Wen-Dong; Liu, Wen-Long; Guo, Sheng-Ping
Journal of publication	Dalton Transactions
Year of publication	2022
a	12.8858 ± 0.001 Å
b	22.887 ± 0.0017 Å
c	17.1739 ± 0.0012 Å
α	90°
β	92.581 ± 0.002°
γ	90°
Cell volume	5059.7 ± 0.6 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0461
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0469
Weighted residual factors for all reflections included in the refinement	0.0502
Goodness-of-fit parameter for all reflections included in the refinement	0.953
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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