Crystallography Open Database

Information card for entry 7009585

Preview

Coordinates	7009585.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H27 Cl2 O10 Os3 P3
Calculated formula	C43 H27 Cl2 O10 Os3 P3
SMILES	[Os]12(C#[O])(C#[O])(C#[O])[Os](C#[O])(C#[O])(C#[O])([Os]1(C#[O])(C#[O])(C#[O])C#[O])[P]1(P([P]2(c2ccccc2)C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.ClCCl
Title of publication	Formation of new cluster derivatives of triphospholene via ligand substitution and cleavage of P‒P bond(s)
Authors of publication	Ang, How Ghee; Ang, Siau Gek; Wang, Xiao
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	19
Pages of publication	3429
a	17.538 ± 0.002 Å
b	19.0324 ± 0.0001 Å
c	13.54 ± 0.002 Å
α	90°
β	91.959 ± 0.005°
γ	90°
Cell volume	4516.9 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1001
Residual factor for significantly intense reflections	0.0727
Weighted residual factors for significantly intense reflections	0.1892
Weighted residual factors for all reflections included in the refinement	0.2079
Goodness-of-fit parameter for all reflections included in the refinement	1.164
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
179799 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/95.	7009585.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009585.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009585.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.	7009585.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009585.cif