Crystallography Open Database

Information card for entry 7205651

7205650 << 7205651 >> 7205652

Preview

Coordinates	7205651.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bis(3-picolinium) pamoate 3-picoline co-crystal
Formula	C41 H37 N3 O6
Calculated formula	C41 H37 N3 O6
Title of publication	Solvate formation in lutidinium pamoate salts: a systematic study
Authors of publication	Wahl, Helene; Haynes, Delia A.; le Roex, Tanya
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	7
Pages of publication	2227
a	14.108 ± 0.002 Å
b	11.5703 ± 0.0018 Å
c	21.107 ± 0.003 Å
α	90°
β	101.733 ± 0.002°
γ	90°
Cell volume	3373.4 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0584
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.0948
Weighted residual factors for all reflections included in the refinement	0.1059
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
180387 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/56.	7205651.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205651.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205651.cif
20979	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7205637, 7205638, 7205639, 7205640, 7205641, 7205642, 7205643, 7205644, 7205645, 7205646, 7205647, 7205648, 7205649, 7205650, 7205651, 7205652 via cif-deposit CGI script.	7205651.cif