Crystallography Open Database

Information card for entry 7231635

Preview

Coordinates	7231635.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H43 Br2 I N6 O2
Calculated formula	C33 H43 Br2 I N6 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	10.0714 ± 0.0005 Å
b	17.5006 ± 0.0005 Å
c	10.6518 ± 0.0006 Å
α	90°
β	115.604 ± 0.007°
γ	90°
Cell volume	1693.08 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0846
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.108
Weighted residual factors for all reflections included in the refinement	0.1223
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	7231635.cif
211430	2018-10-13	cif/ Adding structures of 7231632, 7231633, 7231634, 7231635, 7231636, 7231637, 7231638, 7231639, 7231640, 7231641 via cif-deposit CGI script.	7231635.cif