Crystallography Open Database

Information card for entry 4113237

Preview

Coordinates	4113237.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(1+Br-An)(OTf)4+Et2O
Formula	C118 H90 Au4 Br F12 N4 O13 P4 S4
Calculated formula	C118 H90 Au4 Br F12 N4 O13 P4 S4
Title of publication	Self-Assembly and Molecular Recognition of a Luminescent Gold Rectangle
Authors of publication	Ronger Lin; John H. K. Yip; Ke Zhang; Lip Lin Koh; Kwok-Yin Wong; Kam Piu Ho
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	15852 - 15869
a	27.4266 ± 0.0017 Å
b	21.6592 ± 0.0015 Å
c	23.647 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	14047.2 ± 1.6 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	9
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for all reflections	0.1191
Residual factor for significantly intense reflections	0.066
Weighted residual factors for significantly intense reflections	0.2076
Weighted residual factors for all reflections included in the refinement	0.2444
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
178903 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/32.	4113237.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113237.cif
65660	2012-09-06	cif/ Adding structures of 4113237 via cif-deposit CGI script.	4113237.cif