Crystallography Open Database

Information card for entry 7250059

Preview

Coordinates	7250059.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H33 Cl F4 I2 N4 O6
Calculated formula	C36 H33 Cl F4 I2 N4 O6
Title of publication	Facts and reality of multi-component organic ionic-cocrystals of di-topic acid–base conjugates
Authors of publication	Singh, Abhay Pratap; Baruah, Jubaraj B.
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	12
Pages of publication	1701 - 1706
a	13.111 ± 0.006 Å
b	15.861 ± 0.008 Å
c	18.599 ± 0.009 Å
α	90°
β	90.667 ± 0.014°
γ	90°
Cell volume	3867 ± 3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0543
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1053
Weighted residual factors for all reflections included in the refinement	0.1187
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
298866 (current)	2025-04-05	cif/ Updating files of 7250057, 7250058, 7250059 Original log message: Adding full bibliography for 7250057--7250059.cif.	7250059.cif
297944	2025-03-04	cif/ Adding structures of 7250057, 7250058, 7250059 via cif-deposit CGI script.	7250059.cif