Crystallography Open Database

Information card for entry 4315341

Preview

Coordinates	4315341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H40 Cl6 N4 P2 Pt2
Calculated formula	C34 H38 Cl4 N4 P2 Pt2
SMILES	[Pt]1(Cl)(Cl)[P]2([Pt](Cl)(Cl)[P]31C[N+](=CN(C3)Cc1ccccc1)Cc1ccccc1)C[N+](=CN(C2)Cc1ccccc1)Cc1ccccc1
Title of publication	Unusual Metal-Coordinated Zwitterionic P-C-N-C-N-C Phosphido Adducts
Authors of publication	Allen T. Ekubo; Mark R. J. Elsegood; Andrew J. Lake; Martin B. Smith
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	3703 - 3705
a	12.5972 ± 0.0003 Å
b	17.1567 ± 0.0004 Å
c	20.8242 ± 0.0004 Å
α	114.139 ± 0.0002°
β	96.4836 ± 0.0002°
γ	90.2454 ± 0.0002°
Cell volume	4074.5 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0884
Weighted residual factors for all reflections included in the refinement	0.0932
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.6884 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179233 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/53.	4315341.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4315341.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4315341.cif
8496	2011-02-07	../uploads/cif-deposit/cod/cif Adding structures of 4315341 via cif-deposit CGI script.	4315341.cif