Crystallography Open Database

Information card for entry 1548736

Preview

Coordinates	1548736.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H36 Cl4 P2 Pt
Calculated formula	C48 H36 Cl4 P2 Pt
SMILES	[Pt]1([P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1)(C#Cc1ccc(cc1)C#C)C#Cc1ccc(cc1)C#C.ClC(Cl)C(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	15.4548 ± 0.0005 Å
b	13.1059 ± 0.0004 Å
c	21.7612 ± 0.0006 Å
α	90°
β	92.1109 ± 0.001°
γ	90°
Cell volume	4404.7 ± 0.2 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	0.0392
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.0783
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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.	1548736.cif
205470	2018-01-23	cif/ Adding structures of 1548736 via cif-deposit CGI script.	1548736.cif