Crystallography Open Database

Information card for entry 7704610

Preview

Coordinates	7704610.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H48 Cl2 F2 N2 O4 Pt2
Calculated formula	C39 H48 Cl2 F2 N2 O4 Pt2
SMILES	[Pt]12(OC(=CC(=[O]1)C(C)(C)C)C(C)(C)C)[n]1c(c3c2c[n]2[Pt]4(OC(=CC(=[O]4)C(C)(C)C)C(C)(C)C)c4c(c2c3)c(F)cc(F)c4)cccc1.ClCCl
Title of publication	More efficient spin-orbit coupling: adjusting the ligand field strength to the second metal ion in asymmetric binuclear platinum(ii) configurations.
Authors of publication	Hao, Zhaoran; Zhang, Kai; Chen, Kuan; Wang, Pu; Lu, Zhiyun; Zhu, Weiguo; Liu, Yu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	25
Pages of publication	8722 - 8733
a	16.1719 ± 0.0004 Å
b	9.6253 ± 0.0003 Å
c	25.168 ± 0.0007 Å
α	90°
β	91.421 ± 0.001°
γ	90°
Cell volume	3916.43 ± 0.19 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
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	0.031
Residual factor for significantly intense reflections	0.0244
Weighted residual factors for significantly intense reflections	0.055
Weighted residual factors for all reflections included in the refinement	0.0583
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
253900 (current)	2020-07-06	cif/ Updating files of 7704606, 7704607, 7704608, 7704609, 7704610 Original log message: Adding full bibliography for 7704606--7704610.cif.	7704610.cif
252665	2020-06-05	cif/ Adding structures of 7704606, 7704607, 7704608, 7704609, 7704610 via cif-deposit CGI script.	7704610.cif