Crystallography Open Database

Information card for entry 7010596

Preview

Coordinates	7010596.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H80 F12 N4 O P4 Pd2
Calculated formula	C79 H80 F12 N4 O P4 Pd2
SMILES	[Pd]([Pd]1([P](c2ccccc2)(c2ccccc2)Cc2cccc3cccc(c23)C[P]1(c1ccccc1)c1ccccc1)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-].O=C(C)C
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	10.919 ± 0.006 Å
b	25.859 ± 0.009 Å
c	14.502 ± 0.009 Å
α	90°
β	108.13 ± 0.05°
γ	90°
Cell volume	3891 ± 4 Å³
Cell temperature	298.2 K
Number of distinct elements	7
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	0.1012
Weighted residual factors for all reflections included in the refinement	0.2307
Goodness-of-fit parameter for all reflections included in the refinement	1.335
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.	7010596.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7010596.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7010596.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7010596.cif