Crystallography Open Database

Information card for entry 7059839

Preview

Coordinates	7059839.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H18 Br3 I4 O3 Sb
Calculated formula	C21 H18 Br3 I4 O3 Sb
SMILES	COc1ccc(cc1[Sb](c1c(ccc(c1)Br)OC)(c1c(ccc(c1)Br)OC)I)Br.I[I-]I
Title of publication	Substituent-dependent reactivity of triarylantimony(iii) toward I2: isolation of [Ar3SbI]+ salt
Authors of publication	Sharutin, Vladimir V.; Sharutina, Olga K.; Novikov, Alexander S.; Adonin, Sergey A.
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	34
Pages of publication	14339 - 14342
a	9.4322 ± 0.0019 Å
b	12.154 ± 0.002 Å
c	13.144 ± 0.003 Å
α	87.26 ± 0.03°
β	80.96 ± 0.03°
γ	82.24 ± 0.03°
Cell volume	1473.9 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0539
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0844
Weighted residual factors for all reflections included in the refinement	0.0945
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
257881 (current)	2020-10-06	cif/ Updating files of 7059839, 7059840, 7059841, 7059842 Original log message: Adding full bibliography for 7059839--7059842.cif.	7059839.cif
256152	2020-09-06	cif/ Updating files of 7059839, 7059840, 7059841, 7059842 Original log message: Adding full bibliography for 7059839--7059842.cif.	7059839.cif
254695	2020-07-31	cif/ Adding structures of 7059839, 7059840, 7059841, 7059842 via cif-deposit CGI script.	7059839.cif