Crystallography Open Database

Information card for entry 7052173

Preview

Coordinates	7052173.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H24 N2 Pt
Calculated formula	C33 H24 N2 Pt
SMILES	[Pt]12(c3c(c4[n]1c(c1[n]2cccc1)ccc4)cccc3)C#Cc1cc2C(c3c(c2cc1)cccc3)(C)C
Title of publication	Design and preparation of neutral substituted fluorene- and carbazole-based platinum(ii)‒acetylide complexes
Authors of publication	Seneclauze, Julie Batcha; Retailleau, Pascal; Ziessel, Raymond
Journal of publication	New Journal of Chemistry
Year of publication	2007
Journal volume	31
Journal issue	8
Pages of publication	1412
a	7.2707 ± 0.0006 Å
b	12.3313 ± 0.001 Å
c	28.699 ± 0.002 Å
α	90°
β	96.684 ± 0.002°
γ	90°
Cell volume	2555.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0423
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.1001
Weighted residual factors for all reflections included in the refinement	0.1008
Goodness-of-fit parameter for all reflections included in the refinement	1.581
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
180075 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/21.	7052173.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052173.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052173.cif
1188	2010-06-06	cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories.	7052173.cif