Crystallography Open Database

Information card for entry 1557501

Preview

Coordinates	1557501.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H34 Br2 F6 N4 O6 P2 Pt S2
Calculated formula	C30 H34 Br2 F6 N4 O6 P2 Pt S2
SMILES	[Pt]12([n]3c(c4[n]2ccc(Br)c4)cc(Br)cc3)[P@@](C)(C(C)(C)C)c2nc3c(nc2[P@@]1(C(C)(C)C)C)cccc3.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
Title of publication	Synthesis of Platinum-Containing Conjugated Polymers Having QuinoxP* and Bipyridine Ligands. Chirality Transfer from the Phosphine Ligand to the Polymer Backbone
Authors of publication	Marumoto, Manabu; Sotani, Taichi; Miyagi, Yu; Yajima, Tatsuo; Sano, Natsuhiro; Sanda, Fumio
Journal of publication	Macromolecules
Year of publication	2020
Journal volume	53
Journal issue	6
Pages of publication	2031 - 2038
a	11.5406 ± 0.0002 Å
b	18.5416 ± 0.0003 Å
c	18.7269 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	4007.2 ± 0.11 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	9
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	0.0303
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0629
Weighted residual factors for all reflections included in the refinement	0.0642
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
257166 (current)	2020-10-04	cif/ Updating files of 1557501 Original log message: Adding full bibliography for 1557501.cif.	1557501.cif
250120	2020-04-04	cif/ Updating files of 1557501 Original log message: Adding full bibliography for 1557501.cif.	1557501.cif
249097	2020-03-06	cif/ Adding structures of 1557501 via cif-deposit CGI script.	1557501.cif