Crystallography Open Database

Information card for entry 4325844

Preview

Coordinates	4325844.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	3
Formula	C85 H68 Br2 Cl0 Cu2 I2 O P4
Calculated formula	C85 H68 Br2 Cu2 I2 O P4
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	12.485 ± 0.004 Å
b	16.178 ± 0.005 Å
c	39.625 ± 0.012 Å
α	90°
β	96.866 ± 0.005°
γ	90°
Cell volume	7946 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
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	0.2101
Residual factor for significantly intense reflections	0.149
Weighted residual factors for significantly intense reflections	0.3614
Weighted residual factors for all reflections included in the refinement	0.3891
Goodness-of-fit parameter for all reflections included in the refinement	1.147
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4325844.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325844.cif
46880	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4325844 via cif-deposit CGI script.	4325844.cif