Crystallography Open Database

Information card for entry 4331548

Preview

Coordinates	4331548.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H66 B2 F8 N2 P4 Pt2
Calculated formula	C70 H66 B2 F8 N2 P4 Pt2
SMILES	[Pt]12([Pt]([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#[N]c1ccc(cc1)C(C)C)C#[N]c1ccc(cc1)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	21.9667 ± 0.0012 Å
b	16.5006 ± 0.0009 Å
c	36.265 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	13144.7 ± 1.2 Å³
Cell temperature	198 ± 1 K
Ambient diffraction temperature	198 ± 1 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0334
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.065
Weighted residual factors for all reflections included in the refinement	0.0682
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
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
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.	4331548.cif
97698	2014-01-29	cif/ Adding structures of 4331548 via cif-deposit CGI script.	4331548.cif