Crystallography Open Database

Information card for entry 7027580

Preview

Coordinates	7027580.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 I6 P S
Calculated formula	C18 H15 I6 P S
Title of publication	A new assembly of diiodine molecules at the triphenylphosphine sulfide template †
Authors of publication	Arca, Massimiliano; Demartin, Francesco; Devillanova, Francesco A.; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Verani, Gaetano
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	17
Pages of publication	3069
a	13.335 ± 0.006 Å
b	9.672 ± 0.003 Å
c	21.022 ± 0.005 Å
α	90°
β	102.87 ± 0.03°
γ	90°
Cell volume	2643.2 ± 1.6 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.063
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.049
Goodness-of-fit parameter for all reflections	1.681
Goodness-of-fit parameter for significantly intense reflections	1.904
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/7027580.html