Crystallography Open Database

Information card for entry 1564317

Preview

Coordinates	1564317.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	M1
Formula	C49 H60 N2 O4 P2 Pt
Calculated formula	C49 H60 N2 O4 P2 Pt
SMILES	[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)(C#Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C[C@H]3C=C2)cc1)C#Cc1c2cccc3C(=O)N(C(=O)c(c23)cc1)CCCCCC
Title of publication	Highly photoluminescent poly(norbornene)s carrying platinum‒acetylide complex moieties in their side chains: evaluation of oxygen sensing and TTA‒UC
Authors of publication	Sotani, Taichi; Mizokuro, Toshiko; Yajima, Tatsuo; Sogawa, Hiromitsu; Sanda, Fumio
Journal of publication	Polymer Chemistry
Year of publication	2021
Journal volume	12
Journal issue	33
Pages of publication	4829 - 4837
a	12.7636 ± 0.0003 Å
b	23.5852 ± 0.0005 Å
c	15.1155 ± 0.0003 Å
α	90°
β	94.688 ± 0.007°
γ	90°
Cell volume	4535.03 ± 0.18 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	6
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	0.0348
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0723
Weighted residual factors for all reflections included in the refinement	0.0735
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
268965 (current)	2021-09-06	cif/ Updating files of 1564317 Original log message: Adding full bibliography for 1564317.cif.	1564317.cif
267930	2021-08-04	cif/ Adding structures of 1564317 via cif-deposit CGI script.	1564317.cif