Crystallography Open Database

Information card for entry 7200378

7200377 << 7200378 >> 7200379

Preview

Coordinates	7200378.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H102 Ag6 F36 N6 P6 S12
Calculated formula	C72 H102 Ag6 F36 N6 P6 S12
SMILES	c12CS34[Ag]5([NH](CC[S]5Cc1cccc2)CC3)S12Cc3c(C[S]5CC[NH](CC1)[Ag]25S12Cc5c(C[S]6CC[NH](CC1)[Ag]26S12Cc6c(C[S]7CC[NH](CC1)[Ag]27S12Cc7c(C[S]8CC[NH](CC1)[Ag]28S12Cc8c(C[S]9CC[NH](CC1)[Ag]429)cccc8)cccc7)cccc6)cccc5)cccc3.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Molecular botanical garden: assembly of supramolecular silver(I) and mercury(II) complexes of NS2-donor macrocycles with flower-, leaf- and tree-shaped structures
Authors of publication	Park, Sunhong; Lee, So Young; Jo, Minhye; Lee, Jai Young; Lee, Shim Sung
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	1
Pages of publication	43
a	36.322 ± 0.003 Å
b	36.322 ± 0.003 Å
c	36.322 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	47919 ± 7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	230
Hermann-Mauguin space group symbol	I a -3 d
Hall space group symbol	-I 4bd 2c 3
Residual factor for all reflections	0.0561
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1194
Weighted residual factors for all reflections included in the refinement	0.1266
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
180334 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/03.	7200378.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7200378.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7200378.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7200378.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7200378.cif