Crystallography Open Database

Information card for entry 4325843

Preview

Coordinates	4325843.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2
Formula	C94 H81 Cu2 F12 N5 O1.5 P6
Calculated formula	C94 H81 Cu2 F12 N5 O1.5 P6
Title of publication	Metallacyclophanes of 1,6-Bis(diphenylphosphino)pyrene: Excimeric Emission and Effect of Oxygen on Stability of the Rings
Authors of publication	Jian Hu; Minh-Hai Nguyen; John H. K. Yip
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	7429 - 7439
a	19.8148 ± 0.0009 Å
b	20.6818 ± 0.0008 Å
c	22.1823 ± 0.001 Å
α	90°
β	106.899 ± 0.001°
γ	90°
Cell volume	8697.9 ± 0.7 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1723
Residual factor for significantly intense reflections	0.0868
Weighted residual factors for significantly intense reflections	0.1828
Weighted residual factors for all reflections included in the refinement	0.2194
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4325843.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325843.cif
46879	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4325843 via cif-deposit CGI script.	4325843.cif