Crystallography Open Database

Information card for entry 4106544

Preview

Coordinates	4106544.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25.33 H23.33 Br0.67 Ni0.67 P1.33
Calculated formula	C25.3333 H23.3333 Br0.666667 Ni0.666667 P1.33333
Title of publication	Design and Synthesis of Monofunctionalized, Water-Soluble Conjugated Polymers for Biosensing and Imaging Applications
Authors of publication	Christopher A. Traina; Ronald C. Bakus II; Guillermo C. Bazan
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	12600 - 12607
a	8.446 ± 0.003 Å
b	13.046 ± 0.004 Å
c	15.923 ± 0.005 Å
α	70.057 ± 0.004°
β	85.699 ± 0.005°
γ	78.622 ± 0.004°
Cell volume	1616.8 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0639
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1158
Weighted residual factors for all reflections included in the refinement	0.1308
Goodness-of-fit parameter for all reflections included in the refinement	1.245
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
178811 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/65.	4106544.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106544.cif
53346	2012-04-19	cif/ Adding structures of 4106544 via cif-deposit CGI script.	4106544.cif