Crystallography Open Database

Information card for entry 7712254

Preview

Coordinates	7712254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H48 As7 N3 O9 S3 Si3
Calculated formula	C33 H48 As7 N3 O9 S3 Si3
SMILES	[As]1([As]2[As]([As]3[As]1[As]3[As]2C(=N\S(=O)(=O)c1ccc(cc1)C)/O[Si](C)(C)C)/C(=N\S(=O)(=O)c1ccc(cc1)C)O[Si](C)(C)C)/C(=N\S(=O)(=O)c1ccc(cc1)C)O[Si](C)(C)C
Title of publication	Reactivity of tetrel functionalized heptapnictogen clusters towards heteroallenes.
Authors of publication	Jobbins, William D.; van IJzendoorn, Bono; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Mehta, Meera
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	8
Pages of publication	2384 - 2391
a	13.0823 ± 0.0003 Å
b	13.5652 ± 0.0003 Å
c	14.0438 ± 0.0003 Å
α	94.859 ± 0.002°
β	93.493 ± 0.002°
γ	91.697 ± 0.002°
Cell volume	2477.18 ± 0.1 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 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	0.0229
Residual factor for significantly intense reflections	0.0216
Weighted residual factors for significantly intense reflections	0.0574
Weighted residual factors for all reflections included in the refinement	0.0581
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283235 (current)	2023-05-05	cif/ Updating files of 7712250, 7712251, 7712252, 7712253, 7712254 Original log message: Adding full bibliography for 7712250--7712254.cif.	7712254.cif
280717	2023-02-01	cif/ Adding structures of 7712250, 7712251, 7712252, 7712253, 7712254 via cif-deposit CGI script.	7712254.cif