Crystallography Open Database

Information card for entry 7205465

7205464 << 7205465 >> 7205466

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Coordinates	7205465.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H80 Cd4 I8 N24
Calculated formula	C72 H80 Cd4 I8 N24
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	16.8129 ± 0.0018 Å
b	57.479 ± 0.004 Å
c	9.5157 ± 0.0013 Å
α	90°
β	98.392 ± 0.001°
γ	90°
Cell volume	9097.4 ± 1.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1302
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.1389
Weighted residual factors for all reflections included in the refinement	0.178
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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