Crystallography Open Database

Information card for entry 7056114

Preview

Coordinates	7056114.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H64 Ag2 F12 N8 O8 P2
Calculated formula	C76 H64 Ag2 F12 N8 O8 P2
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	11.1719 ± 0.0004 Å
b	11.2926 ± 0.0004 Å
c	28.5875 ± 0.001 Å
α	90°
β	98.454 ± 0.001°
γ	90°
Cell volume	3567.4 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0693
Residual factor for significantly intense reflections	0.06
Weighted residual factors for significantly intense reflections	0.142
Weighted residual factors for all reflections included in the refinement	0.1498
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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