Crystallography Open Database

Information card for entry 4345972

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Structure parameters

Formula	C18 H15 I4 P
Calculated formula	C18 H15 I4 P
Title of publication	Adducts of Donor-Functionalized Ar3P with the Soft Lewis Acid I2: Probing Simultaneous Lewis Acidity and Basicity at Internally Solvated P(III) Centers.
Authors of publication	Borys, Andryj M.; Clark, Ewan R.
Journal of publication	Inorganic chemistry
Year of publication	2017
a	12.2921 ± 0.0003 Å
b	38.2596 ± 0.001 Å
c	9.0269 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	4245.27 ± 0.18 Å³
Cell temperature	100.03 ± 0.12 K
Ambient diffraction temperature	100.03 ± 0.12 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0416
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0734
Weighted residual factors for all reflections included in the refinement	0.0739
Goodness-of-fit parameter for all reflections included in the refinement	1.311
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
301840 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure.	4345972.cif
204145	2017-12-11	cif/4/ Updating space group information in entries 4345965, 4345966, 4345967, 4345968, 4345969, 4345970, 4345971, 4345972, 4345973, 4512502, 4512503, 4514034, 4514035.	4345972.cif
198954	2017-07-25	cif/ Adding structures of 4345960, 4345961, 4345962, 4345963, 4345964, 4345965, 4345966, 4345967, 4345968, 4345969, 4345970, 4345971, 4345972, 4345973 via cif-deposit CGI script.	4345972.cif