Crystallography Open Database

Information card for entry 7215237

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Structure parameters

Formula	C47 H34 Ag3 Cl7 N6
Calculated formula	C47 H34 Ag3 Cl7 N6
SMILES	[Ag]1n2[n]([Ag]n3[n]([Ag]n4[n]1c(c(c4c1ccccc1)Cl)c1ccccc1)c(c(c3c1ccccc1)Cl)c1ccccc1)c(c(c2c1ccccc1)Cl)c1ccccc1.C(Cl)Cl.C(Cl)Cl
Title of publication	Halogen-involving weak interactions manifested in the crystal structures of silver(i) or gold(i) 4-halogenated-3,5-diphenylpyrazolato trimers
Authors of publication	Chen, Jing-Huo; Liu, Ya-Mei; Zhang, Jin-Xue; Zhu, Yan-Yan; Tang, Ming-Sheng; Ng, Seik Weng; Yang, Guang
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	23
Pages of publication	4987
a	9.6655 ± 0.0009 Å
b	20.3062 ± 0.0016 Å
c	24.3648 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	4782.1 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1014
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.099
Weighted residual factors for all reflections included in the refinement	0.1159
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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