Crystallography Open Database

Information card for entry 7205462

7205461 << 7205462 >> 7205463

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Coordinates	7205462.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H14 Cd I2 N6
Calculated formula	C15 H14 Cd I2 N6
Title of publication	Solvothermal synthesis, crystal structures and photoluminescence properties of the novel Cd/X/α,ω-bis(benzotriazole)alkane hybrid family (X = Cl, Br and I)
Authors of publication	Zhai, Quan-Guo; Gao, Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	5
Pages of publication	1602
a	9.9448 ± 0.0011 Å
b	23.481 ± 0.003 Å
c	9.1979 ± 0.0012 Å
α	90°
β	112.179 ± 0.001°
γ	90°
Cell volume	1988.9 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0649
Weighted residual factors for all reflections included in the refinement	0.0729
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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