Crystallography Open Database

Information card for entry 7111946

7111945 << 7111946 >> 7111947

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Coordinates	7111946.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H12 Cd N10
Calculated formula	C4 H12 Cd N10
Title of publication	Above-room-temperature ferroelastic phase transition in a perovskite-like compound [N(CH3)4][Cd(N3)3]
Authors of publication	Zi-Yi Du; Ying-Ping Zhao; Wei-Xiong Zhang; Hao-Long Zhou; Chun-Ting He; Wei Xue; Bao-Ying Wang; Xiao-Ming Chen
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	1989
a	15.692 ± 0.004 Å
b	8.8335 ± 0.0006 Å
c	9.529 ± 0.006 Å
α	90°
β	125.56 ± 0.06°
γ	90°
Cell volume	1074.5 ± 1.1 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0239
Residual factor for significantly intense reflections	0.0184
Weighted residual factors for significantly intense reflections	0.0365
Weighted residual factors for all reflections included in the refinement	0.0382
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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