Crystallography Open Database

Information card for entry 7210552

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Coordinates	7210552.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H35 Ag2 N9 O13
Calculated formula	C44 H32 Ag2 N9 O13
Title of publication	Silver-mediated self-assembly of metallosupramolecular networks based on pyrimidine-containing oxacalix[n]aromatics
Authors of publication	Ma, Ming-Liang; Li, Xiao-Yan; Zhao, Xiao-Li; Guo, Fang; Jiang, Biao; Wen, Ke
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	6
Pages of publication	1752
a	24.0171 ± 0.0011 Å
b	10.0687 ± 0.0005 Å
c	18.5808 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	4493.2 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0732
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.0866
Weighted residual factors for all reflections included in the refinement	0.1009
Goodness-of-fit parameter for all reflections included in the refinement	1.141
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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