Crystallography Open Database

Information card for entry 4331547

Preview

Coordinates	4331547.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H62 B2 F8 N2 P4 Pd2
Calculated formula	C60 H62 B2 F8 N2 P4 Pd2
SMILES	c1(ccccc1)[P]1(c2ccccc2)C[P](c2ccccc2)(c2ccccc2)[Pd]2([Pd]1(C#[N]C(C)(C)C)[P](c1ccccc1)(c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)C#[N]C(C)(C)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
Title of publication	Solution and Solid-State Properties of Luminescent M−M Bond-Containing Coordination/Organometallic Polymers Using the RNC-M2(dppm)2-CNR Building Blocks (M = Pd, Pt; R = Aryl, Alkyl)
Authors of publication	Bérubé, Jean-François; Gagnon, Karl; Fortin, Daniel; Decken, Andreas; Harvey, Pierre D.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	7
Pages of publication	2812 - 2823
a	12.39 ± 0.012 Å
b	19.773 ± 0.004 Å
c	26.411 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	6470 ± 6 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1234
Residual factor for significantly intense reflections	0.085
Weighted residual factors for significantly intense reflections	0.2393
Weighted residual factors for all reflections included in the refinement	0.2687
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	1.54056 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179418 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/15.	4331547.cif
97697	2014-01-29	cif/ Adding structures of 4331547 via cif-deposit CGI script.	4331547.cif