Crystallography Open Database

Information card for entry 4339886

Preview

Coordinates	4339886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H54 Cl2 I2 N7 P3
Calculated formula	C26 H54 Cl2 I2 N7 P3
SMILES	[I-].IC.N1=P(N([P+](N=P1(Cl)Cl)(NC1CCCCC1)NC1CCCCC1)C)(NC1CCCCC1)NC1CCCCC1
Title of publication	Alkylation and acylation of cyclotriphosphazenes.
Authors of publication	Benson, Mark A.; Zacchini, Stefano; Boomishankar, Ramamoorthy; Chan, Yuri; Steiner, Alexander
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	17
Pages of publication	7097 - 7108
a	10.4381 ± 0.0007 Å
b	11.1776 ± 0.0008 Å
c	17.3682 ± 0.0012 Å
α	108.413 ± 0.001°
β	95.749 ± 0.001°
γ	104.783 ± 0.001°
Cell volume	1822.6 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0378
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.073
Weighted residual factors for all reflections included in the refinement	0.0765
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
179501 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/98.	4339886.cif
117601	2014-06-15	cif/ Adding structures of 4339878, 4339879, 4339880, 4339881, 4339882, 4339883, 4339884, 4339885, 4339886, 4339887, 4339888, 4339889, 4339890, 4339891, 4339892, 4339893, 4339894, 4339895, 4339896, 4339897 via cif-deposit CGI script.	4339886.cif