Crystallography Open Database

Information card for entry 1548504

Preview

Coordinates	1548504.cif

Structure parameters

Formula	C40 H31 Ag Cl N O4 P2
Calculated formula	C40 H31 Ag Cl N O4 P2
SMILES	[Ag]([P](c1c2ccccc2c(P(c2ccccc2)c2ccccc2)c2ccccc12)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1c2c(c([P]([Ag][N]#CC)(c3ccccc3)c3ccccc3)c3c1cccc3)cccc2)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
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	9.7009 ± 0.0006 Å
b	14.5954 ± 0.001 Å
c	24.0063 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	3399 ± 0.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0772
Residual factor for significantly intense reflections	0.0708
Weighted residual factors for significantly intense reflections	0.1853
Weighted residual factors for all reflections included in the refinement	0.192
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
216710 (current)	2019-07-03	Fixing Z values and formulae	1548504.cif
204406	2017-12-20	cif/ Adding structures of 1548504 via cif-deposit CGI script.	1548504.cif