Crystallography Open Database

Information card for entry 1550139

Preview

Coordinates	1550139.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H25 N O2 Pt
Calculated formula	C29 H25 N O2 Pt
SMILES	[Pt]12(c3ccccc3c3[n]2ccc2c3cccc2)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	46.3286 ± 0.0019 Å
b	5.1027 ± 0.0002 Å
c	20.9343 ± 0.0009 Å
α	90°
β	114.049 ± 0.002°
γ	90°
Cell volume	4519.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1114
Weighted residual factors for all reflections included in the refinement	0.1161
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation probe	x-ray
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
230970 (current)	2019-11-17	cif/ Updating files of 1550139, 1550140, 1550141, 1550142 Original log message: Adding full bibliography for 1550139--1550142.cif.	1550139.cif
211701	2018-10-30	cif/ Adding structures of 1550139, 1550140, 1550141, 1550142 via cif-deposit CGI script.	1550139.cif