Crystallography Open Database

Information card for entry 1548734

Preview

Coordinates	1548734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H76 Cl12 P4 Pt2
Calculated formula	C98 H76 Cl12 P4 Pt2
SMILES	[Pt]1([P](c2ccccc2)(c2ccccc2)CCC[P]([Pt]([P](c2ccccc2)(c2ccccc2)CCC[P]1(c1ccccc1)c1ccccc1)(C#Cc1ccc(cc1)C#C)C#Cc1ccc(cc1)C#C)(c1ccccc1)c1ccccc1)(C#Cc1ccc(cc1)C#C)C#Cc1ccc(cc1)C#C.ClC(Cl)Cl.ClC(Cl)Cl.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	33.1071 ± 0.0012 Å
b	15.2483 ± 0.0005 Å
c	22.7605 ± 0.0007 Å
α	90°
β	125.449 ± 0.0009°
γ	90°
Cell volume	9360.3 ± 0.6 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0503
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1143
Weighted residual factors for all reflections included in the refinement	0.1198
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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.	1548734.cif
205468	2018-01-23	cif/ Adding structures of 1548734 via cif-deposit CGI script.	1548734.cif