Crystallography Open Database

Information card for entry 4076320

Preview

Coordinates	4076320.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H25 Br N4 Pt
Calculated formula	C20 H25 Br N4 Pt
Title of publication	Synthesis, Air Stability, Photobleaching, and DFT Modeling of Blue Light Emitting Platinum CCC-N-Heterocyclic Carbene Pincer Complexes
Authors of publication	Zhang, Xiaofei; Wright, Ashley M.; DeYonker, Nathan J.; Hollis, T. Keith; Hammer, Nathan I.; Webster, Charles Edwin; Valente, Edward J.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	5
Pages of publication	1664
a	10.314 ± 0.0001 Å
b	11.1814 ± 0.0002 Å
c	16.9083 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1949.95 ± 0.05 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0419
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0639
Weighted residual factors for all reflections included in the refinement	0.0716
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178652 (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 4/07/63.	4076320.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4076320.cif
51925	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4076320 via cif-deposit CGI script.	4076320.cif