Crystallography Open Database

Information card for entry 4326369

Preview

Coordinates	4326369.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86.25 H58.5 Au4 Cl0.5 Cu2 F33 N4 O P7 S3
Calculated formula	C86 H56 Au4 Cl0.5 Cu2 F33 N4 O P7 S3
Title of publication	Unprecedented Luminescent Heteropolynuclear Aggregates with Gold Thiolates as Building Blocks
Authors of publication	Olga Crespo; M. Concepción Gimeno; Antonio Laguna; Fernando J. Lahoz; Carmen Larraz
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	9533 - 9544
a	20.373 ± 0.005 Å
b	14.817 ± 0.004 Å
c	32.056 ± 0.008 Å
α	90°
β	97.785 ± 0.005°
γ	90°
Cell volume	9587 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	10
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	0.1555
Residual factor for significantly intense reflections	0.0919
Weighted residual factors for significantly intense reflections	0.1864
Weighted residual factors for all reflections included in the refinement	0.2107
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	0.6894 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
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.	4326369.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326369.cif
48533	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4326369 via cif-deposit CGI script.	4326369.cif