Crystallography Open Database

Information card for entry 7231634

Preview

Coordinates	7231634.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H39 Hg I5 N6
Calculated formula	C33 H39 Hg I5 N6
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	10.7081 ± 0.0003 Å
b	16.2105 ± 0.0003 Å
c	27.427 ± 0.0008 Å
α	90°
β	125.51 ± 0.004°
γ	90°
Cell volume	3875.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0463
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0764
Weighted residual factors for all reflections included in the refinement	0.0819
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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

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.	7231634.cif
211430	2018-10-13	cif/ Adding structures of 7231632, 7231633, 7231634, 7231635, 7231636, 7231637, 7231638, 7231639, 7231640, 7231641 via cif-deposit CGI script.	7231634.cif