Crystallography Open Database

Information card for entry 4084601

Preview

Coordinates	4084601.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H33 Br N4 Pt
Calculated formula	C29 H33 Br N4 Pt
SMILES	[Pt]1(Br)([n]2ccccc2c2[n]1nc(c1c2CCCCCC1)c1ncccc1)(C)(C)Cc1ccccc1
Title of publication	The Platinum Center is a Stronger Nucleophile than the Free Nitrogen Donors in a Dimethylplatinum Complex with a Dipyridylpyridazine Ligand
Authors of publication	McCready, Matthew S.; Puddephatt, Richard J.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	11
Pages of publication	2261
a	8.8073 ± 0.0003 Å
b	18.8399 ± 0.0005 Å
c	15.8807 ± 0.0004 Å
α	90°
β	90.543 ± 0.002°
γ	90°
Cell volume	2634.94 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0506
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0658
Weighted residual factors for all reflections included in the refinement	0.0701
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
178735 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/46.	4084601.cif
140242	2015-07-05	cif/ Updating files of 4084597, 4084598, 4084599, 4084600, 4084601, 4084602 Original log message: Adding full bibliography for 4084597--4084602.cif.	4084601.cif
126100	2014-10-31	cif/ Adding structures of 4084597, 4084598, 4084599, 4084600, 4084601, 4084602 via cif-deposit CGI script.	4084601.cif