Crystallography Open Database

Information card for entry 7009715

Preview

Coordinates	7009715.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75.5 H77 Ag2 O11 P3 Re2
Calculated formula	C75.5 H77 Ag2 O11 P3 Re2
SMILES	[Re]1([Ag]2([Ag]([Re]([P]1(C1CCCCC1)C1CCCCC1)(C#[O])(C#[O])(C#[O])OC(=[O]2)[C@@]12OC(=O)[C@@](CC1)(C2(C)C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O].Cc1ccccc1.Cc1ccccc1
Title of publication	Diastereomeric metallatetrahedron complexes of the type Re2(AgPR3)2(μ-PCy2)(CO)7Z (R = Et and Ph; Z = (−)- and (+)-camphanate): synthesis, structure and CD data
Authors of publication	Haupt, Hans-Jürgen; Seewald, Oliver; Flörke, Ulrich; Buß, Volker; Weyhermüller, Thomas
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	16
Pages of publication	2837
a	14.374 ± 0.001 Å
b	16.115 ± 0.001 Å
c	16.641 ± 0.001 Å
α	98.12 ± 0.01°
β	98.35 ± 0.01°
γ	101.83 ± 0.01°
Cell volume	3674.1 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0997
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.0909
Weighted residual factors for all reflections included in the refinement	0.1001
Goodness-of-fit parameter for all reflections included in the refinement	0.935
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7009715.cif
129439	2015-01-07	cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ \| codid2file \ \| xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'\|\\?\|none)/_exptl_crystal_density_method ./i"	7009715.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009715.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009715.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.	7009715.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009715.cif