Crystallography Open Database

Information card for entry 7216108

Preview

Coordinates	7216108.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(R,S)-2,2-bis-(4-pyridinoxy)-(4,4:6,6)-bis-(2',2''-dioxybiphenyl)cyclotri- phosphazene 1,4-diiodo-2,3,5,6-tetrafluorobenzene hemi-carbontetrachloride
Formula	C81 H48 Cl4 F8 I4 N10 O12 P6
Calculated formula	C81 H48 Cl4 F8 I4 N10 O12 P6
Title of publication	Cyclotriphosphazene [N3P3(2,2′-dioxybiphenyl)2-(4-pyridinoxy)2] and its halogen bonded complex with 1,4-diiodotetrafluorobenzene
Authors of publication	Bertani, Roberta; Ghedini, Elena; Gleria, Mario; Liantonio, Rosalba; Marras, Giovanni; Metrangolo, Pierangelo; Meyer, Franck; Pilati, Tullio; Resnati, Giuseppe
Journal of publication	CrystEngComm
Year of publication	2005
Journal volume	7
Journal issue	83
Pages of publication	511
a	26.254 ± 0.003 Å
b	11.6963 ± 0.0012 Å
c	31.383 ± 0.005 Å
α	90°
β	114.6 ± 0.03°
γ	90°
Cell volume	8762 ± 3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0255
Residual factor for significantly intense reflections	0.0205
Weighted residual factors for significantly intense reflections	0.0564
Weighted residual factors for all reflections included in the refinement	0.0571
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
180492 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/61.	7216108.cif
114347	2014-05-23	cif/ Adding structures of 7216108, 7216109 via cif-deposit CGI script.	7216108.cif