Crystallography Open Database

Information card for entry 1548508

Preview

Coordinates	1548508.cif

Structure parameters

Formula	C131 H127 Ag3 B3 F12 O5 P6
Calculated formula	C131 H127 Ag3 B3 F12 O5 P6
SMILES	[Ag]1[P](c2ccccc2)(c2c3ccccc3c([P]([Ag][P](c3ccccc3)(c3ccccc3)c3c4c(c([P]([Ag][P](c5ccccc5)(c5ccccc5)c5c6c(c([P]1(c1ccccc1)c1ccccc1)c1c5cccc1)cccc6)(c1ccccc1)c1ccccc1)c1c3cccc1)cccc4)(c1ccccc1)c1ccccc1)c1ccccc21)c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].O(CC)CC.OC.O(CC)CC.O(CC)CC.O(CC)CC
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	15.7878 ± 0.0014 Å
b	39.138 ± 0.004 Å
c	21.1625 ± 0.0017 Å
α	90°
β	111.148 ± 0.002°
γ	90°
Cell volume	12195.7 ± 1.9 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1134
Residual factor for significantly intense reflections	0.066
Weighted residual factors for significantly intense reflections	0.1513
Weighted residual factors for all reflections included in the refinement	0.1727
Goodness-of-fit parameter for all reflections included in the refinement	0.966
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
204410 (current)	2017-12-20	cif/ Adding structures of 1548508 via cif-deposit CGI script.	1548508.cif