Crystallography Open Database

Information card for entry 7003731

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Coordinates	7003731.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H36 F12 Fe N6 P2
Calculated formula	C38 H36 F12 Fe N6 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	11.757 ± 0.003 Å
b	23.966 ± 0.006 Å
c	14.51 ± 0.004 Å
α	90°
β	96.449 ± 0.004°
γ	90°
Cell volume	4062.6 ± 1.8 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
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	0.0844
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.116
Weighted residual factors for all reflections included in the refinement	0.1401
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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