Crystallography Open Database

Information card for entry 7712700

Preview

Coordinates	7712700.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H100 Cl2 N4 O7 Pd S
Calculated formula	C67 H100 Cl2 N4 O7 Pd S
SMILES	S(=O)(=O)([O-])c1c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)cc1.[Pd]12(c3cc(OC)ccc3c3[n]1c(c1[n]2cccc1)ccc3)C#Cc1n(cc[n+]1C)C.ClCCl
Title of publication	Aggregation of phosphorescent Pd(II) and Pt(II) complexes with lipophilic counter-anions in non-polar solvents.
Authors of publication	Zhou, Ning; Zou, Chao; Suo, Sa; Liu, Yuliang; Lin, Jinqiang; Zhang, Xiaobao; Shi, Minglin; Chang, Xiaoyong; Lu, Wei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	17
Pages of publication	5503 - 5513
a	8.3719 ± 0.0002 Å
b	58.8373 ± 0.0016 Å
c	13.863 ± 0.0004 Å
α	90°
β	90.474 ± 0.001°
γ	90°
Cell volume	6828.4 ± 0.3 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0476
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.113
Weighted residual factors for all reflections included in the refinement	0.114
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283283 (current)	2023-05-05	cif/ Updating files of 7712699, 7712700 Original log message: Adding full bibliography for 7712699--7712700.cif.	7712700.cif
282129	2023-03-30	cif/ Adding structures of 7712699, 7712700 via cif-deposit CGI script.	7712700.cif