Crystallography Open Database

Information card for entry 7219311

7219310 << 7219311 >> 7219312

Preview

Coordinates	7219311.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4-phenylpyridinium pamoate DMF solvate
Formula	C47.65 H40.17 N2.88 O7
Calculated formula	C47.645 H40.174 N2.881 O7
Title of publication	A highly selective host based on the pamoate ion
Authors of publication	Wahl, Helene; Haynes, Delia A.; le Roex, Tanya
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	7
Pages of publication	1549
a	27.355 ± 0.007 Å
b	10.464 ± 0.003 Å
c	15.401 ± 0.004 Å
α	90°
β	119.512 ± 0.003°
γ	90°
Cell volume	3836.4 ± 1.8 Å³
Cell temperature	101 ± 2 K
Ambient diffraction temperature	101 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0927
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for significantly intense reflections	0.1588
Weighted residual factors for all reflections included in the refinement	0.1716
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
180524 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/93.	7219311.cif
133157	2015-03-06	cif/ Updating files of 7219307, 7219308, 7219309, 7219310, 7219311, 7219312, 7219313 Original log message: Adding full bibliography for 7219307--7219313.cif.	7219311.cif
129679	2015-01-16	cif/ Adding structures of 7219307, 7219308, 7219309, 7219310, 7219311, 7219312, 7219313 via cif-deposit CGI script.	7219311.cif