Crystallography Open Database

Information card for entry 7056115

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Structure parameters

Formula	C195.4 H165.8 Ag4 Cl1.4 F24 N17 O16 P4
Calculated formula	C195.4 H165.8 Ag4 Cl1.4 F24 N17 O16 P4
Title of publication	Macrometallocycle binuclear NHC silver(I) complexes: synthesis, structure and recognition for o-phenylenediamine
Authors of publication	Liu, Qingxiang; Wei, Deng-Che; Zhao, Dong-Xue; Sun, Xiao-Feng; Zhao, Zhi-Xiang; Yan, Jing
Journal of publication	New J. Chem.
Year of publication	2017
Journal volume	41
Journal issue	12
Pages of publication	4843 - 4852
a	9.3833 ± 0.0006 Å
b	20.3902 ± 0.0013 Å
c	25.4603 ± 0.0016 Å
α	82.388 ± 0.001°
β	80.031 ± 0.001°
γ	85.566 ± 0.002°
Cell volume	4748 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1133
Residual factor for significantly intense reflections	0.084
Weighted residual factors for significantly intense reflections	0.2218
Weighted residual factors for all reflections included in the refinement	0.2501
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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