Crystallography Open Database

Information card for entry 4074263

Preview

Coordinates	4074263.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H36 N4 O3 Pt
Calculated formula	C34 H34 N4 O3 Pt
SMILES	O.[Pt]12(=C3N(c4ccccc4N3CCCC)c3c(O1)cccc3)Oc1c(N3C=2N(c2c3cccc2)CCCC)cccc1
Title of publication	Synthesis and Study of Bidentate Benzimidazolylidene−Group 10 Metal Complexes and Related Main-Chain Organometallic Polymers
Authors of publication	Boydston, Andrew J.; Rice, Jonathan D.; Sanderson, Matthew D.; Dykhno, Olga L.; Bielawski, Christopher W.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	26
Pages of publication	6087
a	12.521 ± 0.0005 Å
b	13.87 ± 0.0006 Å
c	18.694 ± 0.001 Å
α	90.248 ± 0.002°
β	102.67 ± 0.002°
γ	99.004 ± 0.0017°
Cell volume	3125.9 ± 0.3 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1179
Residual factor for significantly intense reflections	0.0654
Weighted residual factors for significantly intense reflections	0.1355
Weighted residual factors for all reflections included in the refinement	0.1664
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
178631 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/42.	4074263.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074263.cif
48274	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4074260, 4074261, 4074262, 4074263 via cif-deposit CGI script.	4074263.cif