Crystallography Open Database

Information card for entry 7713332

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Coordinates	7713332.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H28 Cd I4 N2
Calculated formula	C10 H28 Cd I4 N2
Title of publication	Methyl Regulation Triggers High-Temperature Ferroelastic Phase Transition
Authors of publication	Zhang, Si-Yue; Zhang, Zhi-Cheng; Zhang, Tie; Ni, Hao-Fei; Zhang, Zhixu; Fu, Da-Wei; Lu, Hai-Feng
Journal of publication	Dalton Transactions
Year of publication	2023
a	9.5264 ± 0.0002 Å
b	14.3056 ± 0.0004 Å
c	16.5364 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2253.59 ± 0.1 Å³
Cell temperature	184.99 ± 0.1 K
Ambient diffraction temperature	184.99 ± 0.1 K
Number of distinct elements	5
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	0.0315
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0688
Weighted residual factors for all reflections included in the refinement	0.0714
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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