Crystallography Open Database

Information card for entry 7023716

Preview

Coordinates	7023716.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H78 F24 N8 P8 Pt2
Calculated formula	C52 H78 F24 N8 P8 Pt2
SMILES	C1(=[Pt]2([n]3ccc(cc3)c3ccncc3)[P](C)(C)CC[P]2(C)C)N(c2cc3c(cc2N1CCC)N(C(=[Pt]1([n]2ccc(cc2)c2ccncc2)[P](C)(C)CC[P]1(C)C)N3CCC)CCC)CCC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Molecular rectangles from platinum(ii) and bridging dicarbene, diisocyanide and 4,4'-bipyridine ligands.
Authors of publication	Schmidtendorf, Markus; Pape, Tania; Hahn, F. Ekkehardt
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	45
Pages of publication	16128 - 16141
a	29.1083 ± 0.0011 Å
b	10.4 ± 0.0004 Å
c	24.5042 ± 0.0009 Å
α	90°
β	102.217 ± 0.001°
γ	90°
Cell volume	7250.1 ± 0.5 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.044
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0845
Weighted residual factors for all reflections included in the refinement	0.0895
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
179942 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/37.	7023716.cif
90614	2013-11-18	cif/ Adding structures of 7023706, 7023707, 7023708, 7023709, 7023710, 7023711, 7023712, 7023713, 7023714, 7023715, 7023716 via cif-deposit CGI script.	7023716.cif