Crystallography Open Database

Information card for entry 7231639

Preview

Coordinates	7231639.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H42 I3 N7
Calculated formula	C39 H42 I3 N7
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	13.34926 ± 0.00019 Å
b	16.7927 ± 0.0002 Å
c	36.5631 ± 0.0006 Å
α	90°
β	90.0824 ± 0.0013°
γ	90°
Cell volume	8196.3 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1067
Residual factor for significantly intense reflections	0.0771
Weighted residual factors for significantly intense reflections	0.2348
Weighted residual factors for all reflections included in the refinement	0.2618
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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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