Crystallography Open Database

Information card for entry 7129521

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Coordinates	7129521.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H12 Cl3 Mn N O
Calculated formula	C4 H12 Cl3 Mn N O
Title of publication	Two-step nonlinear optical switch in a hydrogen-bonded perovskite-type crystal
Authors of publication	Hua, Xiu-Ni; Zhang, Wan-Ying; Shi, Ping-Ping
Journal of publication	Chemical Communications
Year of publication	2022
a	6.5395 ± 0.0002 Å
b	9.9821 ± 0.0003 Å
c	14.8082 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	966.65 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0145
Residual factor for significantly intense reflections	0.014
Weighted residual factors for significantly intense reflections	0.0377
Weighted residual factors for all reflections included in the refinement	0.0379
Goodness-of-fit parameter for all reflections included in the refinement	1.149
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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