Crystallography Open Database

Information card for entry 4339896

Preview

Coordinates	4339896.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H57 Cl N9 O1.5 P3
Calculated formula	C27 H57 Cl N9 O1.5 P3
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	14.0003 ± 0.0013 Å
b	15.0896 ± 0.0013 Å
c	17.9053 ± 0.0016 Å
α	90°
β	109.135 ± 0.002°
γ	90°
Cell volume	3573.7 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0734
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0567
Weighted residual factors for all reflections included in the refinement	0.0612
Goodness-of-fit parameter for all reflections included in the refinement	0.825
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4339896.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.	4339896.cif