Crystallography Open Database

Information card for entry 4315323

Preview

Coordinates	4315323.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H100.5 Cl2.5 N14 O7 P6
Calculated formula	C48 H98.5 Cl2.5 N14 O7 P6
Title of publication	Aqueous Chemistry of Chlorocyclophosphazenes: Phosphates {PO2}, Phosphamides {P(O)NHR}, and the first Phosphites {PHO} and Pyrophosphates {(PO)2O} of These Heterocycles
Authors of publication	Joanne Ledger; Ramamoorthy Boomishankar; Alexander Steiner
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	3896 - 3904
a	10.106 ± 0.008 Å
b	17.588 ± 0.014 Å
c	19.836 ± 0.016 Å
α	96.809 ± 0.016°
β	104.328 ± 0.019°
γ	100.413 ± 0.016°
Cell volume	3310 ± 5 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	0.1196
Residual factor for significantly intense reflections	0.087
Weighted residual factors for significantly intense reflections	0.189
Weighted residual factors for all reflections included in the refinement	0.2064
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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.	4315323.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4315323.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4315323.cif
8477	2011-02-07	../uploads/cif-deposit/cod/cif Adding structures of 4315323 via cif-deposit CGI script.	4315323.cif