Crystallography Open Database

Information card for entry 7231636

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Structure parameters

Formula	C30 H39 I3 N6 O3
Calculated formula	C30 H39 I3 N6 O3
Title of publication	The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates
Authors of publication	Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	44
Pages of publication	7184
a	8.7246 ± 0.0003 Å
b	18.8111 ± 0.0005 Å
c	11.1783 ± 0.0004 Å
α	90°
β	111.852 ± 0.005°
γ	90°
Cell volume	1702.76 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0583
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.0637
Weighted residual factors for all reflections included in the refinement	0.0713
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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