Crystallography Open Database

Information card for entry 4327804

Preview

Coordinates	4327804.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H62 Au4 Cl6 N4 P4
Calculated formula	C81 H62 Au4 Cl6 N4 P4
Title of publication	Dual Luminescent Tetranuclear Organogold(I) Macrocycles of 5,5'-Diethynyl-2,2'-bipyridine and Their Efficient Sensitization of Yb(III) Luminescence
Authors of publication	Xiu-Ling Li; Ming Tan; Ke-Juan Zhang; Bo Yang; Jie Chen; Yu-Bo Ai
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	109 - 118
a	16.9861 ± 0.0015 Å
b	17.2304 ± 0.0017 Å
c	22.451 ± 0.003 Å
α	78.773 ± 0.001°
β	81.93 ± 0.002°
γ	75.351 ± 0.001°
Cell volume	6206.8 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2296
Residual factor for significantly intense reflections	0.096
Weighted residual factors for significantly intense reflections	0.1989
Weighted residual factors for all reflections included in the refinement	0.2594
Goodness-of-fit parameter for all reflections included in the refinement	0.965
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
179381 (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 4/32/78.	4327804.cif
76726	2013-03-21	cif/ Adding structures of 4327804 via cif-deposit CGI script.	4327804.cif