Crystallography Open Database

Information card for entry 4341817

Preview

Coordinates	4341817.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H42 Br Cl2 Cu N2 P6
Calculated formula	C49 H42 Br Cl2 Cu N2 P6
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	21.2636 ± 0.0018 Å
b	10.1246 ± 0.0007 Å
c	15.184 ± 0.0012 Å
α	90°
β	133.915 ± 0.005°
γ	90°
Cell volume	2354.8 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0503
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.127
Weighted residual factors for all reflections included in the refinement	0.1302
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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.	4341817.cif
128228	2014-12-06	cif/ Adding structures of 4341817 via cif-deposit CGI script.	4341817.cif