Crystallography Open Database

Information card for entry 7221129

Preview

Coordinates	7221129.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C298 H344 Gd2 N12 O114 P4 S16
Calculated formula	C298 H240 Gd2 N12 O114 P4 S16
Title of publication	Efficient packing of long flexible bis-imidazolium cations in the ubiquitous bilayers of their p-sulfonatocalixarene salts
Authors of publication	Ling, Irene; Sobolev, Alexandre N.; Sabah, Karem; Hashim, Rauzah
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	30
Pages of publication	5841
a	14.4612 ± 0.0003 Å
b	22.9608 ± 0.0005 Å
c	26.3393 ± 0.0007 Å
α	75.41 ± 0.002°
β	77.11 ± 0.002°
γ	87.87 ± 0.002°
Cell volume	8248.7 ± 0.3 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0993
Residual factor for significantly intense reflections	0.0852
Weighted residual factors for significantly intense reflections	0.2198
Weighted residual factors for all reflections included in the refinement	0.2328
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
153102 (current)	2015-08-08	cif/ Updating files of 7221129, 7221130, 7221131, 7221132 Original log message: Adding full bibliography for 7221129--7221132.cif.	7221129.cif
141461	2015-07-09	cif/ Adding structures of 7221129, 7221130, 7221131, 7221132 via cif-deposit CGI script.	7221129.cif