Crystallography Open Database

Information card for entry 4341815

Preview

Coordinates	4341815.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H40 Ag Br N2 P6
Calculated formula	C48 H40 Ag Br N2 P6
SMILES	[Ag]1(Br)[P]2=P(c3ccccc3)(N=P([P]1=P(N=P2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
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	20.931 ± 0.0009 Å
b	10.3138 ± 0.0004 Å
c	12.3702 ± 0.0005 Å
α	90°
β	124.115 ± 0.001°
γ	90°
Cell volume	2210.91 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0392
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0669
Weighted residual factors for all reflections included in the refinement	0.0697
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
179521 (current)	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.	4341815.cif
128226	2014-12-06	cif/ Adding structures of 4341815 via cif-deposit CGI script.	4341815.cif