Crystallography Open Database

Information card for entry 7023712

Preview

Coordinates	7023712.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H70 Br4 Cl8 N4 P4 Pt2
Calculated formula	C36 H70 Br4 Cl8 N4 P4 Pt2
SMILES	C1(N(c2c(cc3c(c2)N(C(N3C(C)C)=[Pt]2([P](C)(C)CC[P]2(C)C)Br)C(C)C)N1C(C)C)C(C)C)=[Pt]1([P](C)(CC[P]1(C)C)C)Br.[Br-].C(Cl)Cl.C(Cl)Cl.[Br-].C(Cl)Cl.C(Cl)Cl
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	16.8861 ± 0.0012 Å
b	11.9102 ± 0.0009 Å
c	14.9781 ± 0.0011 Å
α	90°
β	101.431 ± 0.001°
γ	90°
Cell volume	2952.6 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
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	0.06
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.1021
Weighted residual factors for all reflections included in the refinement	0.1106
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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.	7023712.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.	7023712.cif