Crystallography Open Database

Information card for entry 7231640

Preview

Coordinates	7231640.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H162 Mo20 N24 O81
Calculated formula	C120 H162 Mo20 N24 O81
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	11.3449 ± 0.0003 Å
b	20.7592 ± 0.0006 Å
c	17.6129 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	4148 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0387
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0879
Weighted residual factors for all reflections included in the refinement	0.0926
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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