Crystallography Open Database

Information card for entry 7012604

Preview

Coordinates	7012604.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H36 N9 P3
Calculated formula	C18 H36 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	11.552 ± 0.006 Å
b	20.301 ± 0.013 Å
c	21.372 ± 0.011 Å
α	90°
β	94.17 ± 0.03°
γ	90°
Cell volume	4999 ± 5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1188
Residual factor for significantly intense reflections	0.0904
Weighted residual factors for significantly intense reflections	0.2199
Weighted residual factors for all reflections included in the refinement	0.2399
Goodness-of-fit parameter for all reflections included in the refinement	0.991
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7012604.html