Crystallography Open Database

Information card for entry 7231632

Preview

Coordinates	7231632.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H69 Cu4 I10 N12 O2
Calculated formula	C60 H65 Cu4 I10 N12 O2
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	8.6659 ± 0.0003 Å
b	43.0938 ± 0.001 Å
c	22.4966 ± 0.0006 Å
α	90°
β	112.628 ± 0.004°
γ	90°
Cell volume	7754.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0844
Residual factor for significantly intense reflections	0.0795
Weighted residual factors for significantly intense reflections	0.2294
Weighted residual factors for all reflections included in the refinement	0.2373
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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

Version history

Revision	Date	Message	Files
228901 (current)	2019-11-17	cif/ Updating files of 7231632, 7231633, 7231634, 7231635, 7231636, 7231637, 7231638, 7231639, 7231640, 7231641 Original log message: Adding full bibliography for 7231632--7231641.cif.	7231632.cif
211430	2018-10-13	cif/ Adding structures of 7231632, 7231633, 7231634, 7231635, 7231636, 7231637, 7231638, 7231639, 7231640, 7231641 via cif-deposit CGI script.	7231632.cif