Crystallography Open Database

Information card for entry 7062223

Preview

Coordinates	7062223.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 F6 I N2 P
Calculated formula	C12 H14 F6 I N2 P
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	11.6037 ± 0.0005 Å
b	12.4587 ± 0.0003 Å
c	22.322 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3227 ± 0.2 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0621
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.1037
Weighted residual factors for all reflections included in the refinement	0.1222
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7062223.html