Crystallography Open Database

Information card for entry 7010597

Preview

Coordinates	7010597.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H74 F12 N4 P4 Pt2
Calculated formula	C76 H74 F12 N4 P4 Pt2
SMILES	[Pt]([Pt]1([P](c2ccccc2)(c2ccccc2)Cc2cccc3cccc(C[P]1(c1ccccc1)c1ccccc1)c23)C#[N]c1c(cc(cc1C)C)C)(C#[N]c1c(cc(cc1C)C)C)(C#[N]c1c(cc(cc1C)C)C)C#[N]c1c(cc(cc1C)C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Preparation and characterization of palladium and platinum complexes bearing 1,8-bis[(diphenylphosphino)methyl]naphthalene
Authors of publication	Yamamoto, Yasuhiro; Fukui, Yasushi; Matsubara, Katsuaki; Takeshima, Hiroya; Miyauchi, Fumiyoshi; Tanase, Tomoaki; Yamamoto, Gaku
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2001
Journal issue	11
Pages of publication	1773
a	11.06 ± 0.05 Å
b	25.823 ± 0.01 Å
c	14.292 ± 0.01 Å
α	90 ± 0.05°
β	108.1 ± 0.1°
γ	90 ± 0.1°
Cell volume	3880 ± 18 Å³
Cell temperature	300.2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.0778
Weighted residual factors for all reflections included in the refinement	0.1671
Goodness-of-fit parameter for all reflections included in the refinement	1.402
Diffraction radiation wavelength	0.7107 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.	7010597.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7010597.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7010597.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7010597.cif