Crystallography Open Database

Information card for entry 7012599

Preview

Coordinates	7012599.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H68 N9 O P3
Calculated formula	C52 H68 N9 O 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	33.828 ± 0.003 Å
b	12.514 ± 0.001 Å
c	25.588 ± 0.002 Å
α	90°
β	111.073 ± 0.001°
γ	90°
Cell volume	10107.6 ± 1.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0595
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.1061
Weighted residual factors for all reflections included in the refinement	0.1147
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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.	7012599.cif
179829	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 7/01/25.	7012599.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7012599.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7012599.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7012599.cif