Crystallography Open Database

Information card for entry 4003865

Preview

Coordinates	4003865.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 Cl0.77 F0.23 Mn N9 P
Calculated formula	C14 H18 Cl0.77 F0.23 Mn N9 P
Title of publication	Emergent Chirality and Nonlinear Optical Switching in a Ferroelastic Molecular Perovskite Solid Solution
Authors of publication	He, Lei; Shi, Ping-Ping; Zhao, Meng-Meng; Liu, Cai-Ming; Zhang, Wen; Ye, Qiong
Journal of publication	Chemistry of Materials
Year of publication	2021
Journal volume	33
Journal issue	2
Pages of publication	799 - 805
a	10.6652 ± 0.0007 Å
b	11.9991 ± 0.0008 Å
c	16.053 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2054.3 ± 0.2 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	7
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	0.1347
Residual factor for significantly intense reflections	0.1282
Weighted residual factors for significantly intense reflections	0.2785
Weighted residual factors for all reflections included in the refinement	0.2796
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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