Crystallography Open Database

Information card for entry 4339891

Preview

Coordinates	4339891.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H71 Br N9 O2 P3
Calculated formula	C57 H71 Br N9 O2 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	16.745 ± 0.003 Å
b	18.004 ± 0.005 Å
c	19.026 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5736 ± 2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0787
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0609
Weighted residual factors for all reflections included in the refinement	0.0682
Goodness-of-fit parameter for all reflections included in the refinement	0.779
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
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.	4339891.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.	4339891.cif