Crystallography Open Database

Information card for entry 7712066

7712065 << 7712066 >> 7712067

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Coordinates	7712066.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H34 I6 N6 O
Calculated formula	C14 H34 I6 N6 O
Title of publication	Two metal-free perovskite molecules with different 3D frameworks show reversible phase transition, dielectric anomaly and SHG effect.
Authors of publication	Zhang, Haina; You, Xiuli; Zhang, Mengxia; Guo, Wenjing; Wei, Zhenhong; Cai, Hu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	6
Pages of publication	1753 - 1760
a	30.562 ± 0.006 Å
b	10.349 ± 0.002 Å
c	9.908 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3133.8 ± 1.1 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	5
Space group number	40
Hermann-Mauguin space group symbol	A m a 2
Hall space group symbol	A 2 -2a
Residual factor for all reflections	0.0323
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.0613
Weighted residual factors for all reflections included in the refinement	0.0629
Goodness-of-fit parameter for all reflections included in the refinement	0.967
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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