Crystallography Open Database

Information card for entry 7011131

Preview

Coordinates	7011131.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H70 Co4 O8 P6 Pt
Calculated formula	C92 H70 Co4 O8 P6 Pt
SMILES	[Pt]1([P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1)(C#C[C]12[Co]34([Co]1(C#[O])(C#[O])([CH]=23)[P](C[P]4(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O])C#C[C]12[Co]34([Co]1(C#[O])(C#[O])([CH]=23)[P](C[P]4(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O]
Title of publication	Preparation of buta-1,3-diynyl complexes of platinum(II) and their use in the construction of neutral molecular squares: synthesis, structural and theoretical characterisation of cyclo-{Pt(μ-CCCC)(dppe)}4 and related chemistry
Authors of publication	Michael I. Bruce; Karine Costuas; Jean-François Halet; Ben C. Hall; Paul J. Low; Brian K. Nicholson; Brian W. Skelton; Allan H. White
Journal of publication	J. Chem. Soc., Dalton Trans.
Year of publication	2002
Journal issue	3
Pages of publication	383 - 398
a	21.486 ± 0.002 Å
b	13.439 ± 0.002 Å
c	29.592 ± 0.003 Å
α	90°
β	99.16 ± 0.002°
γ	90°
Cell volume	8435.7 ± 1.7 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 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	0.223
Residual factor for significantly intense reflections	0.092
Weighted residual factors for all reflections	0.206
Weighted residual factors for all reflections included in the refinement	0.117
Goodness-of-fit parameter for all reflections	1.223
Goodness-of-fit parameter for all reflections included in the refinement	1.291
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7011131.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011131.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011131.cif
7477	2011-01-18	cif/7/ Updating (redepositing) the rest of the series-7 files that had non-ASCII symbols in them. Hopefully these are the last instances of non-ASCII text creeped into COD (the new cif-tools should cnvert non-ASCII symbols into XML entities or flag them as errors).	7011131.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011131.cif