Crystallography Open Database

Information card for entry 4321751

Preview

Coordinates	4321751.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bis(μ-di-t-butylphosphido)-(di-t-butylphosphine)-carbonyl-di-platinum(i)
Formula	C25 H55 O P3 Pt2
Calculated formula	C25 H55 O P3 Pt2
SMILES	[Pt]12([Pt]([P]1(C(C)(C)C)C(C)(C)C)([P]2(C(C)(C)C)C(C)(C)C)[PH](C(C)(C)C)C(C)(C)C)C#[O]
Title of publication	Dinuclear Phosphido-Bridged Derivatives of Platinum(I). Synthesis and Characterization of [Pt2(μ-PBut2)2(PBut2H)(L)] [L = PBut2R (R = H, Li, n-Heptyl), CO, η2-CS2]
Authors of publication	Piero Leoni; Giuseppina Chiaradonna; Marco Pasquali; Fabio Marchetti
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	253 - 259
a	9.091 ± 0.0012 Å
b	30.527 ± 0.004 Å
c	11.903 ± 0.002 Å
α	90°
β	93.78 ± 0.02°
γ	90°
Cell volume	3296.1 ± 0.8 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0676
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for all reflections	0.0965
Weighted residual factors for significantly intense reflections	0.0826
Goodness-of-fit parameter for all reflections	1.053
Goodness-of-fit parameter for significantly intense reflections	1.095
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
179320 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/17.	4321751.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	4321751.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321751.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321751.cif
19555	2011-05-18	../uploads/cif-deposit/cod/cif Adding structures of 4321751 via cif-deposit CGI script.	4321751.cif