Crystallography Open Database

Information card for entry 7025206

Preview

Coordinates	7025206.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Phosphazene 2 with Ethanol inclusion
Chemical name	Phosphazene 2 with Ethanol inclusion
Formula	C50 H114 N24 O13 P12
Calculated formula	C50 H114 N24 O13 P12
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	10.0247 ± 0.0008 Å
b	20.0725 ± 0.0016 Å
c	38.752 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	7797.7 ± 1.1 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0671
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for significantly intense reflections	0.1417
Weighted residual factors for all reflections included in the refinement	0.1445
Goodness-of-fit parameter for all reflections included in the refinement	1.145
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.	7025206.cif
92884	2014-01-12	cif/ Adding structures of 7025205, 7025206, 7025207, 7025208, 7025209 via cif-deposit CGI script.	7025206.cif