Crystallography Open Database

Information card for entry 7031094

Preview

Coordinates	7031094.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H23 N5 Pt
Calculated formula	C33 H23 N5 Pt
SMILES	[Pt]1([n]2ccccc2c2[n]1c1c(n2Cc2ccccc2)cccc1)(C#Cc1ncccc1)C#Cc1ncccc1
Title of publication	Complexes of substituted derivatives of 2-(2-pyridyl)benzimidazole with Re(I), Ru(II) and Pt(II): structures, redox and luminescence properties.
Authors of publication	Shavaleev, Nail M.; Bell, Zöe R; Easun, Timothy L.; Rutkaite, Ramune; Swanson, Linda; Ward, Michael D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2004
Journal issue	21
Pages of publication	3678 - 3688
a	12.2261 ± 0.0014 Å
b	12.0913 ± 0.0019 Å
c	22.271 ± 0.003 Å
α	90°
β	99.635 ± 0.012°
γ	90°
Cell volume	3245.9 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.039
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0717
Weighted residual factors for all reflections included in the refinement	0.0744
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
180016 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/10.	7031094.cif
114641	2014-05-29	cif/ Adding structures of 7031093, 7031094, 7031095, 7031096, 7031097, 7031098 via cif-deposit CGI script.	7031094.cif