Crystallography Open Database

Information card for entry 7062224

Preview

Coordinates	7062224.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H26 Cl2 F18 I3 N12 P3
Calculated formula	C37 H26 Cl2 F18 I3 N12 P3
Title of publication	Iodination of antipyrine with [N–I–N]+ and carbonyl hypoiodite iodine(i) complexes
Authors of publication	Wilson, Laura M. E.; Rissanen, Kari; Ward, Jas S.
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	6
Pages of publication	2978 - 2982
a	10.6696 ± 0.0003 Å
b	13.9953 ± 0.0003 Å
c	18.4479 ± 0.0004 Å
α	81.771 ± 0.001°
β	75.316 ± 0.001°
γ	78.793 ± 0.001°
Cell volume	2601.11 ± 0.11 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0581
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.0927
Weighted residual factors for all reflections included in the refinement	0.1003
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7062224.html