Crystallography Open Database

Information card for entry 1548968

Preview

Coordinates	1548968.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H54 N2 O2 P2 Pt
Calculated formula	C62 H54 N2 O2 P2 Pt
SMILES	[Pt]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#Cc1ccc(cc1)C#C)C#Cc1ccc(cc1)C#C.O=CN(C)C.O=CN(C)C
Title of publication	Effect of phosphine ligand on the optical absorption/emission properties of platinum-containing conjugated polymers
Authors of publication	Miyagi, Yu; Sotani, Taichi; Yajima, Tatsuo; Sano, Natsuhiro; Sanda, Fumio
Journal of publication	Polymer Chemistry
Year of publication	2018
Journal volume	9
Journal issue	14
Pages of publication	1772
a	9.5747 ± 0.0003 Å
b	10.0025 ± 0.0003 Å
c	14.5919 ± 0.0004 Å
α	75.3868 ± 0.0007°
β	73.7957 ± 0.0008°
γ	81.3096 ± 0.0009°
Cell volume	1293.65 ± 0.07 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0258
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0619
Weighted residual factors for all reflections included in the refinement	0.062
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
230966 (current)	2019-11-17	cif/ Updating files of 1548967, 1548968 Original log message: Adding full bibliography for 1548967--1548968.cif.	1548968.cif
206517	2018-02-20	cif/ Adding structures of 1548967, 1548968 via cif-deposit CGI script.	1548968.cif