Crystallography Open Database

Information card for entry 1550142

Preview

Coordinates	1550142.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H25 N O3 Pt
Calculated formula	C26 H25 N O3 Pt
SMILES	[Pt]12(c3c(c4[n]2cccc4)cc(OC)cc3)OC(=C(C(=[O]1)C)Cc1ccc(cc1)C=C)C
Title of publication	An efficient room-temperature synthesis of highly phosphorescent styrenic Pt(ii) complexes and their polymerization by ATRP
Authors of publication	Mayder, Don M.; Thompson, Kyle A.; Christopherson, Cheyenne J.; Paisley, Nathan R.; Hudson, Zachary M.
Journal of publication	Polymer Chemistry
Year of publication	2018
Journal volume	9
Journal issue	45
Pages of publication	5418
a	13.1943 ± 0.0005 Å
b	14.617 ± 0.0005 Å
c	23.1255 ± 0.0009 Å
α	90°
β	92.449 ± 0.001°
γ	90°
Cell volume	4455.9 ± 0.3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 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	0.0397
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0473
Weighted residual factors for all reflections included in the refinement	0.0509
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation probe	x-ray
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
230970 (current)	2019-11-17	cif/ Updating files of 1550139, 1550140, 1550141, 1550142 Original log message: Adding full bibliography for 1550139--1550142.cif.	1550142.cif
214153	2019-03-18	cif/1 Fixing Z values and formulae	1550142.cif
211701	2018-10-30	cif/ Adding structures of 1550139, 1550140, 1550141, 1550142 via cif-deposit CGI script.	1550142.cif