Crystallography Open Database

Information card for entry 7118191

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Structure parameters

Formula	C39 H36 F9 N O9 P3 S3 Sb
Calculated formula	C39 H36 F9 N O9 P3 S3 Sb
SMILES	[Sb]12([P](CC[P]1(CC[P]2(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)OS(=O)(=O)C(F)(F)F.O=S([O-])(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F.N#CC
Title of publication	Distinction between coordination and phosphine ligand oxidation: interactions of di- and triphosphines with Pn^3+^ (Pn = P, As, Sb, Bi)
Authors of publication	Chitnis, Saurabh S.; Vos, Kevin A.; Burford, Neil; McDonald, Robert; Ferguson, Michael J.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2016
Journal volume	52
Pages of publication	685 - 688
a	12.2821 ± 0.0002 Å
b	16.7365 ± 0.0003 Å
c	44.4675 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	9140.7 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0438
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.0956
Goodness-of-fit parameter for all reflections included in the refinement	1.191
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301857 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure.	7118191.cif
209786	2018-08-16	cif/7/11/ Updating bibliography in entries 7118191-7118193, 7118471-7118473. Marking entries 7118471-7118473 as duplicates of entries 7118191-7118193.	7118191.cif
171849	2016-01-01	cif/ Adding structures of 7118191, 7118192, 7118193 via cif-deposit CGI script.	7118191.cif