Crystallography Open Database

Information card for entry 1548498

Preview

Coordinates	1548498.cif

Structure parameters

Formula	C114 H82 Au4 F12 N4 O12 P4 S4
Calculated formula	C114 H82 Au4 F12 N4 O12 P4 S4
SMILES	[Au]1[P](c2c3ccccc3c([P]([Au][n]3ccc(c4cc[n]([Au][P](c5c6ccccc6c([P]([Au][n]6ccc(c7cc[n]1cc7)cc6)(c1ccccc1)c1ccccc1)c1c5cccc1)(c1ccccc1)c1ccccc1)cc4)cc3)(c1ccccc1)c1ccccc1)c1c2cccc1)(c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.c12ccccc1cc1ccccc1c2
Title of publication	Gold rectangle, silver rings and helices - A study of self-assembly and molecular recognition of metallo-supramolecules
Authors of publication	Lin Rong Er
Journal of publication	Ph.D Thesis - NATIONAL UNIVERSITY OF SINGAPORE
Year of publication	2005
Pages of publication	1
a	28.309 ± 0.0013 Å
b	24.2881 ± 0.0011 Å
c	10.6225 ± 0.0005 Å
α	90°
β	95.253 ± 0.001°
γ	90°
Cell volume	7273.1 ± 0.6 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	8
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0945
Residual factor for significantly intense reflections	0.0659
Weighted residual factors for significantly intense reflections	0.2158
Weighted residual factors for all reflections included in the refinement	0.2375
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
204399 (current)	2017-12-20	cif/ Adding structures of 1548498 via cif-deposit CGI script.	1548498.cif