Crystallography Open Database

Information card for entry 7231862

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Coordinates	7231862.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H74 Cl Fe4 N7 O12 S4
Calculated formula	C72 H62 Cl Fe4 N6 O12 S4
Title of publication	Organoamine-induced isomerism of calixarene-based complexes: from 1D to 2D
Authors of publication	Zhu, Xiaofei; Wang, Shentang; Han, Haitao; Liao, Wuping
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	68
Pages of publication	39208
a	11.5257 ± 0.0002 Å
b	21.7684 ± 0.0004 Å
c	20.6414 ± 0.0004 Å
α	90°
β	92.715 ± 0.001°
γ	90°
Cell volume	5173.03 ± 0.16 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 2 K
Number of distinct elements	7
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0643
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1123
Weighted residual factors for all reflections included in the refinement	0.122
Goodness-of-fit parameter for all reflections included in the refinement	0.946
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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