Crystallography Open Database

Information card for entry 7003732

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Coordinates	7003732.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 F12 Fe N4 P2
Calculated formula	C30 H28 F12 Fe N4 P2
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	20.062 ± 0.003 Å
b	16.475 ± 0.003 Å
c	19.94 ± 0.003 Å
α	90°
β	110.504 ± 0.003°
γ	90°
Cell volume	6173.1 ± 1.7 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
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	0.1389
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1168
Weighted residual factors for all reflections included in the refinement	0.1491
Goodness-of-fit parameter for all reflections included in the refinement	0.996
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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