Crystallography Open Database

Information card for entry 7024008

Preview

Coordinates	7024008.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	fosfazen
Formula	C7 H10 Cl2 F6 N3 O4 P3
Calculated formula	C7 H10 Cl2 F6 N3 O4 P3
SMILES	P1(=N[P@@]2(=N[P@](=N1)(OCC(F)(F)C(F)(F)C(F)(F)CO2)Cl)Cl)(OC)OC
Title of publication	Nucleophilic substitution reactions of 10- and 11-membered fluorodioxy ansa cyclotriphosphazene derivatives.
Authors of publication	Beşli, Serap; Mutlu, Ceylan; Yuksel, Fatma
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	48
Pages of publication	16709 - 16722
a	7.8562 ± 0.0011 Å
b	12.7286 ± 0.0018 Å
c	8.6574 ± 0.0012 Å
α	90°
β	111.409 ± 0.006°
γ	90°
Cell volume	806 ± 0.2 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0209
Residual factor for significantly intense reflections	0.0203
Weighted residual factors for significantly intense reflections	0.0536
Weighted residual factors for all reflections included in the refinement	0.0539
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
179945 (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 7/02/40.	7024008.cif
91630	2013-12-13	cif/ Adding structures of 7024006, 7024007, 7024008, 7024009, 7024010, 7024011, 7024012, 7024013, 7024014, 7024015, 7024016 via cif-deposit CGI script.	7024008.cif