Crystallography Open Database

Information card for entry 7012602

Preview

Structure parameters

Formula	C42 H48 N9 P3
Calculated formula	C42 H48 N9 P3
SMILES	N1=P(N=P(N=P1(Nc1ccc(cc1)C)Nc1ccc(cc1)C)(Nc1ccc(cc1)C)Nc1ccc(cc1)C)(Nc1ccc(cc1)C)Nc1ccc(cc1)C
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	7.224 ± 0.004 Å
b	10.017 ± 0.006 Å
c	28.331 ± 0.015 Å
α	90.054 ± 0.011°
β	91.593 ± 0.011°
γ	107.718 ± 0.007°
Cell volume	1952 ± 1.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1497
Residual factor for significantly intense reflections	0.0793
Weighted residual factors for significantly intense reflections	0.191
Weighted residual factors for all reflections included in the refinement	0.2158
Goodness-of-fit parameter for all reflections included in the refinement	0.915
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7012602.html