Crystallography Open Database

Information card for entry 7006520

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Coordinates	7006520.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H42 Fe N4 O6
Calculated formula	C40 H42 Fe N4 O6
Title of publication	Host-guest complexation of a fluorescent and electrochemical chemsensor for fluoride anion.
Authors of publication	Zhang, Bing-guang; Xu, Jian; Zhao, Yong-gang; Duan, Chun-ying; Cao, Xin; Meng, Qing-jin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	10
Pages of publication	1271 - 1276
a	35.748 ± 0.004 Å
b	9.237 ± 0.001 Å
c	25.145 ± 0.003 Å
α	90°
β	118.473 ± 0.002°
γ	90°
Cell volume	7298.7 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1753
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.0652
Weighted residual factors for all reflections included in the refinement	0.0825
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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