Crystallography Open Database

Information card for entry 1516817

Preview

Coordinates	1516817.cif

Structure parameters

Formula	C38 H20 Cl2 N3 O12 P3
Calculated formula	C38 H20 Cl2 N3 O12 P3
SMILES	P12(=NP3(=NP(=N1)(Cl)Cl)Oc1c4ccccc4oc(=O)c1Cc1c(=O)oc4c(c1O3)cccc4)Oc1c3ccccc3oc(=O)c1Cc1c(=O)oc3c(c1O2)cccc3
Title of publication	Synthesis and characterization of dicoumarol substituted cyclotriphosphazenes
Authors of publication	Gonul Yenilmez Ciftci; Esra Tanriverdi Ecik; Mustafa Bulut; Fatma Yuksel; Adem Kilic; Mahmut Durmus
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	398
Pages of publication	106 - 112
a	14.3683 ± 0.0004 Å
b	16.4258 ± 0.0005 Å
c	15.8683 ± 0.0005 Å
α	90°
β	103.739 ± 0.002°
γ	90°
Cell volume	3637.93 ± 0.19 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0443
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0938
Weighted residual factors for all reflections included in the refinement	0.0984
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516817.cif
118980	2014-07-04	cif/ Adding structures of 1516817 via cif-deposit CGI script.	1516817.cif