Crystallography Open Database

Information card for entry 1100784

Preview

Coordinates	1100784.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H58 Ag2 B2 F8 N12 O6 P2
Calculated formula	C54 H58 Ag2 B2 F8 N12 O6 P2
SMILES	[Ag]12[n]3n(C(n4[n]1ccc4)(n1[n]([Ag]4[n]5n(C(n6[n]4ccc6)(n4[n]2ccc4)COP(=O)(c2ccccc2)c2ccccc2)ccc5)ccc1)COP(=O)(c1ccccc1)c1ccccc1)ccc3.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].O1CCCC1.O1CCCC1
Title of publication	Supramolecular networks of silver(i) and iron(ii) complexes of the third generation tris(pyrazolyl)methane ligand Ph2(O)POCH2C(pz)3 (pz = pyrazolyl ring)
Authors of publication	Reger, Daniel L.; Semeniuc, Radu F.; Smith, Mark D.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	17
Pages of publication	2253 - 2260
a	10.9754 ± 0.0008 Å
b	11.4045 ± 0.0008 Å
c	12.9314 ± 0.0009 Å
α	109.108 ± 0.001°
β	98.409 ± 0.001°
γ	102.747 ± 0.001°
Cell volume	1449.22 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0455
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1027
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1100784.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	1100784.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1100784.cif
31985	2012-01-04	cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'.	1100784.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.	1100784.cif
1172	2010-05-16	cif/1/ Updating bibliography, chemical and angle information from the Dalton-Trans-2008/ processed files.	1100784.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	1100784.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	1100784.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1100784.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	1100784.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	1100784.cif