Crystallography Open Database

Information card for entry 4318809

Preview

Coordinates	4318809.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H112 Li2 N4 O12 P4 Pt
Calculated formula	C88 H112 Li2 N4 O12 P4 Pt
SMILES	[Pt]12(P(C(=C(P1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)P(C(=C(P2c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.[O]12CC[N]34CC[O]5CCOCCN6CC[O](CC1)[Li]1245[O](CC3)CC[O]1CC6.[O]12CC[N]34CC[O]5CCOCCN6CC[O](CC1)[Li]1245[O](CC3)CC[O]1CC6
Title of publication	Dianionic Platinadiphospholene Complexes
Authors of publication	Cornelia Tirla; Nicolas Mézailles; Louis Ricard; François Mathey; Pascal Le Floch
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	6032 - 6037
a	12.6947 ± 0.0002 Å
b	17.2161 ± 0.0003 Å
c	37.8877 ± 0.0005 Å
α	90 ± 0.0001°
β	90 ± 0.0001°
γ	90 ± 0.0001°
Cell volume	8280.5 ± 0.2 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.055
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.0829
Weighted residual factors for all reflections included in the refinement	0.0866
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179268 (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 4/31/88.	4318809.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4318809.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4318809.cif
15535	2011-03-16	../uploads/cif-deposit/cod/cif Adding structures of 4318809 via cif-deposit CGI script.	4318809.cif