Crystallography Open Database

Information card for entry 7025208

Preview

Coordinates	7025208.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Phosphazene 3 with propylene sulfide inclusion
Chemical name	Phosphazene 3 with propylene sulfide inclusion
Formula	C50.78 H48 N12 O6 P6 S0.89
Calculated formula	C49.518 H48 N12 O6 P6 S0.556
Title of publication	Synthesis and inclusion behavior of cyclotriphosphazene molecules with asymmetric spiro rings.
Authors of publication	Lee, David K. Y.; Jackson, Anne-Martine S; Fushimi, Toshiki; Yennawar, Hemant; Allcock, Harry R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	22
Pages of publication	5341 - 5348
a	30.844 ± 0.004 Å
b	30.844 ± 0.004 Å
c	16.089 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	13256 ± 4 Å³
Cell temperature	144 ± 2 K
Ambient diffraction temperature	144 ± 2 K
Number of distinct elements	6
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.1598
Residual factor for significantly intense reflections	0.1169
Weighted residual factors for significantly intense reflections	0.2973
Weighted residual factors for all reflections included in the refinement	0.3332
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179958 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/52.	7025208.cif
92884	2014-01-12	cif/ Adding structures of 7025205, 7025206, 7025207, 7025208, 7025209 via cif-deposit CGI script.	7025208.cif