Crystallography Open Database

Information card for entry 7012603

Preview

Coordinates	7012603.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H48 N9 P3
Calculated formula	C18 H48 N9 P3
Title of publication	Supramolecular variations on a molecular theme: the structural diversity of phosphazenes (RNH)6P3N3 in the solid state
Authors of publication	Bickley, Jamie F.; Bonar-Law, Richard; Lawson, Gavin T.; Richards, Philip I.; Rivals, Frederic; Steiner, Alexander; Zacchini, Stefano
Journal of publication	Dalton Transactions
Year of publication	2003
Journal issue	7
Pages of publication	1235
a	42.21 ± 0.005 Å
b	11.3419 ± 0.0012 Å
c	23.092 ± 0.003 Å
α	90°
β	91.105 ± 0.002°
γ	90°
Cell volume	11053 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.1002
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1804
Weighted residual factors for all reflections included in the refinement	0.2038
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
213973 (current)	2019-03-05	cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries.	7012603.cif
179830	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/26.	7012603.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7012603.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7012603.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7012603.cif