Crystallography Open Database

Information card for entry 4341818

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Structure parameters

Formula	C24 H56 N2 P8
Calculated formula	C24 H56 N2 P8
SMILES	P1(P(=NP(=P1)(C(C)C)C(C)C)(C(C)C)C(C)C)P1P(=NP(=P1)(C(C)C)C(C)C)(C(C)C)C(C)C
Title of publication	Low-Valent Chemistry: An Alternative Approach to Phosphorus-Containing Oligomers.
Authors of publication	Kosnik, Stephanie C.; Farrar, Gregory J.; Norton, Erin L.; Cooper, Benjamin F. T.; Ellis, Bobby D.; Macdonald, Charles L. B.
Journal of publication	Inorganic chemistry
Year of publication	2014
Pages of publication	141201074418004
a	15.4287 ± 0.0013 Å
b	13.3702 ± 0.0012 Å
c	17.2421 ± 0.0015 Å
α	90°
β	109.482 ± 0.001°
γ	90°
Cell volume	3353.1 ± 0.5 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.0903
Weighted residual factors for all reflections included in the refinement	0.0966
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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
301840 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure.	4341818.cif
179521	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/18.	4341818.cif
128229	2014-12-06	cif/ Adding structures of 4341818 via cif-deposit CGI script.	4341818.cif