Crystallography Open Database

Information card for entry 7003733

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Coordinates	7003733.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H26 Br0.5 F9 Fe N6 P1.5
Calculated formula	C28 H26 Br0.5 F9 Fe N6 P1.5
Title of publication	Imidazolium-based macrocycles as multisignaling chemosensors for anions
Authors of publication	Niu, Hao-Tao; Yin, Zhenming; Su, Dongdong; Niu, Dong; He, Jiaqi; Cheng, Jin-Pei
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	28
Pages of publication	3694 - 3700
a	17.1 ± 0.005 Å
b	20.013 ± 0.005 Å
c	18.983 ± 0.005 Å
α	90°
β	114.601 ± 0.004°
γ	90°
Cell volume	5907 ± 3 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0568
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1306
Weighted residual factors for all reflections included in the refinement	0.134
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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