Crystallography Open Database

Information card for entry 4346359

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Coordinates	4346359.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H47 Ag9 I13 N4
Calculated formula	C48 H48 Ag9 I13 N4
Title of publication	Symmetrically Related Construction and Optical Properties of Two Noncentrosymmetric 3D Iodides of d(10) Cation (Cu(+), Ag(+)) Based on the N-Benzylpyridinium and Its Supramolecular Interactions.
Authors of publication	Qiao, Yanrong; Hao, Pengfei; Fu, Yunlong
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	17
Pages of publication	8705 - 8710
a	22.5616 ± 0.0013 Å
b	15.4537 ± 0.0008 Å
c	21.8953 ± 0.0013 Å
α	90°
β	111.133 ± 0.007°
γ	90°
Cell volume	7120.6 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0519
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1076
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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