Crystallography Open Database

Information card for entry 7233358

Preview

Coordinates	7233358.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H21 N5 O9
Calculated formula	C26 H21 N5 O9
Title of publication	Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines
Authors of publication	Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	35
Pages of publication	5206
a	7.234 ± 0.002 Å
b	9.378 ± 0.003 Å
c	35.927 ± 0.011 Å
α	89.798 ± 0.006°
β	88.075 ± 0.006°
γ	87.452 ± 0.006°
Cell volume	2433.5 ± 1.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1169
Residual factor for significantly intense reflections	0.0746
Weighted residual factors for significantly intense reflections	0.168
Weighted residual factors for all reflections included in the refinement	0.1837
Goodness-of-fit parameter for all reflections included in the refinement	1.121
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
223709 (current)	2019-11-07	cif/ Updating files of 7233356, 7233357, 7233358, 7233359, 7233360, 7233361, 7233362, 7233363, 7233364, 7233365 Original log message: Adding full bibliography for 7233356--7233365.cif.	7233358.cif
217471	2019-08-09	cif/ Adding structures of 7233356, 7233357, 7233358, 7233359, 7233360, 7233361, 7233362, 7233363, 7233364, 7233365 via cif-deposit CGI script.	7233358.cif