Crystallography Open Database

Information card for entry 4079568

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Coordinates	4079568.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H24 Ag8 F18 N12 O12
Calculated formula	C52 H24 Ag8 F18 N12 O12
Title of publication	Assembly of Silver-Organic Frameworks and Discrete Molecules Containing Embedded 1,3-Butadiyne-1,4-diide with Ancillary Heteroaromatic N-Donor Ligands
Authors of publication	Hu, Ting; Zhao, Liang; Mak, Thomas C. W.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	21
Pages of publication	7539
a	12.1322 ± 0.0006 Å
b	16.2592 ± 0.0008 Å
c	18.0363 ± 0.0009 Å
α	80.571 ± 0.001°
β	82.94 ± 0.001°
γ	75.276 ± 0.001°
Cell volume	3382.2 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0853
Residual factor for significantly intense reflections	0.0726
Weighted residual factors for significantly intense reflections	0.1824
Weighted residual factors for all reflections included in the refinement	0.1929
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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