Crystallography Open Database

Information card for entry 4339887

Preview

Coordinates	4339887.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H43 Cl2 I N7 P3
Calculated formula	C17 H43 Cl2 I N7 P3
SMILES	[I-].[P+]1(N(P(=NP(=N1)(Cl)Cl)(NC(C)(C)C)NC(C)(C)C)C)(NC(C)(C)C)NC(C)(C)C
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	9.0159 ± 0.0006 Å
b	11.4296 ± 0.0007 Å
c	14.5537 ± 0.001 Å
α	92.961 ± 0.001°
β	104.931 ± 0.001°
γ	100.017 ± 0.001°
Cell volume	1419.65 ± 0.16 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	0.0305
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.0742
Weighted residual factors for all reflections included in the refinement	0.076
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	4339887.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.	4339887.cif