Crystallography Open Database

Information card for entry 7225581

Preview

Coordinates	7225581.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H116 Cl3 I3 N4 O12
Calculated formula	C74 H116 Cl3 I3 N4 O12
Title of publication	N-Alkyl ammonium resorcinarene polyiodides
Authors of publication	Pan, Fangfang; Beyeh, Ngong Kodiah; Ras, Robin H. A.; Rissanen, Kari
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	30
Pages of publication	5724
a	12.0439 ± 0.0008 Å
b	13.194 ± 0.0005 Å
c	25.6543 ± 0.001 Å
α	102.364 ± 0.003°
β	93.086 ± 0.005°
γ	90.337 ± 0.004°
Cell volume	3975.7 ± 0.3 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1396
Residual factor for significantly intense reflections	0.0909
Weighted residual factors for significantly intense reflections	0.2347
Weighted residual factors for all reflections included in the refinement	0.285
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
185180 (current)	2016-08-07	cif/ Updating files of 7225581, 7225582, 7225583, 7225584 Original log message: Adding full bibliography for 7225581--7225584.cif.	7225581.cif
183699	2016-06-18	cif/ Adding structures of 7225581, 7225582, 7225583, 7225584 via cif-deposit CGI script.	7225581.cif