Crystallography Open Database

Information card for entry 4325842

Preview

Coordinates	4325842.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H96 Ag2 F6 O10 P4 S2
Calculated formula	C98 H96 Ag2 F6 O10 P4 S2
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	33.243 ± 0.007 Å
b	13.339 ± 0.003 Å
c	24.388 ± 0.006 Å
α	90°
β	116.413 ± 0.008°
γ	90°
Cell volume	9685 ± 4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1015
Residual factor for significantly intense reflections	0.0858
Weighted residual factors for significantly intense reflections	0.2292
Weighted residual factors for all reflections included in the refinement	0.2429
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
179361 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/58.	4325842.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325842.cif
46878	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4325842 via cif-deposit CGI script.	4325842.cif