Crystallography Open Database

Information card for entry 1519595

1519594 << 1519595 >> 1519596

Preview

Coordinates	1519595.cif

Structure parameters

Formula	C10 H22 Cl8 N10 O0 P6
Calculated formula	C10 H22 Cl8 N10 P6
SMILES	C1CCN(CCCCN2CCCNP32=NP(=NP(=N3)(Cl)Cl)(Cl)Cl)P2(=NP(=NP(=N2)(Cl)Cl)(Cl)Cl)N1
Title of publication	syn-(mu2-Tetramethylene)-bis(2-(1,3-propylenediamine-N,N')-4,4,6,6-tetrachloro- cyclotriphosphazene
Authors of publication	Hursthouse, Michael B.; Coles, Simon J.
Journal of publication	Crystal Structure Report Archive
Year of publication	2004
Pages of publication	57
a	10.023 ± 0.0004 Å
b	10.8755 ± 0.0005 Å
c	15.397 ± 0.0007 Å
α	79.211 ± 0.002°
β	77.133 ± 0.002°
γ	69.254 ± 0.002°
Cell volume	1519.28 ± 0.12 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.1087
Residual factor for significantly intense reflections	0.0742
Weighted residual factors for significantly intense reflections	0.196
Weighted residual factors for all reflections included in the refinement	0.2184
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary.	1519595.cif
136203	2015-05-13	cif/ Adding structures of 1519595 via cif-deposit CGI script.	1519595.cif