Crystallography Open Database

Information card for entry 7025209

Preview

Coordinates	7025209.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Monospiro phosphazene 3a
Formula	C8 H9 Cl4 N4 O P3
Calculated formula	C8 H9 Cl4 N4 O P3
SMILES	P12(N[C@H](c3ccccc3)CO1)=NP(Cl)(Cl)=NP(Cl)(Cl)=N2
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	13.5641 ± 0.0014 Å
b	13.5641 ± 0.0014 Å
c	16.992 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3126.3 ± 0.9 Å³
Cell temperature	98 ± 2 K
Ambient diffraction temperature	98 ± 2 K
Number of distinct elements	6
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Residual factor for all reflections	0.0403
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0755
Weighted residual factors for all reflections included in the refinement	0.077
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
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.	7025209.cif
92884	2014-01-12	cif/ Adding structures of 7025205, 7025206, 7025207, 7025208, 7025209 via cif-deposit CGI script.	7025209.cif