Crystallography Open Database

Information card for entry 1548735

Preview

Coordinates	1548735.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H38 Cl6 P2 Pt
Calculated formula	C49 H38 Cl6 P2 Pt
SMILES	[Pt]1([P](c2ccccc2)(c2ccccc2)CCC[P]1(c1ccccc1)c1ccccc1)(C#Cc1ccc(cc1)C#C)C#Cc1ccc(cc1)C#C.ClC(Cl)Cl.ClC(Cl)Cl
Title of publication	Ligand Exchange Reaction for Controlling the Conformation of Platinum-Containing Polymers
Authors of publication	Miyagi, Yu; Ishida, Takahiro; Marumoto, Manabu; Sano, Natsuhiro; Yajima, Tatsuo; Sanda, Fumio
Journal of publication	Macromolecules
Year of publication	2018
Journal volume	51
Journal issue	3
Pages of publication	815
a	11.7439 ± 0.0004 Å
b	21.9784 ± 0.0007 Å
c	18.2415 ± 0.0006 Å
α	90°
β	103.062 ± 0.001°
γ	90°
Cell volume	4586.5 ± 0.3 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0388
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0672
Weighted residual factors for all reflections included in the refinement	0.0712
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
227643 (current)	2019-11-12	cif/ Updating files of 1548734, 1548735, 1548736, 1548737 Original log message: Adding full bibliography for 1548734--1548737.cif.	1548735.cif
205469	2018-01-23	cif/ Adding structures of 1548735 via cif-deposit CGI script.	1548735.cif