Crystallography Open Database

Information card for entry 4339882

Preview

Coordinates	4339882.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H81 I N9 O2 P3
Calculated formula	C38 H81 I N9 O2 P3
SMILES	[I-].[P+]1(N(P(=NP(=N1)(NC1CCCCC1)NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1)C)(NC1CCCCC1)NC1CCCCC1.OC.O
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	29.3736 ± 0.0016 Å
b	11.0372 ± 0.0006 Å
c	31.7895 ± 0.0018 Å
α	90°
β	115.646 ± 0.001°
γ	90°
Cell volume	9290.9 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0278
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0645
Weighted residual factors for all reflections included in the refinement	0.0657
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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.	4339882.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.	4339882.cif