Crystallography Open Database

Information card for entry 7050763

Preview

Coordinates	7050763.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Ag3(titmb)2]2[1,4-C6H4(COO)2]3×23H2O (1)
Formula	C108 H154 Ag6 N24 O35
Calculated formula	C108 H136 Ag6 N24 O35
Title of publication	First example of a dumbbell-like architecture containing M3L2 cages and terephthalate anions
Authors of publication	Jian Fan; Wei-Yin Sun; Taka-aki Okamura; Jin Xie; Wen-Xia Tang; Norikazu Ueyama
Journal of publication	New J. Chem.
Journal volume	26
Journal issue	2
Pages of publication	199 - 201
a	35.8754 ± 0.0006 Å
b	17.6365 ± 0.0003 Å
c	43.1894 ± 0.0008 Å
α	90°
β	113.531 ± 0.001°
γ	90°
Cell volume	25054.3 ± 0.8 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
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	0.1535
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1009
Weighted residual factors for all reflections included in the refinement	0.1202
Goodness-of-fit parameter for all reflections included in the refinement	0.819
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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