Crystallography Open Database

Information card for entry 7701076

Preview

Coordinates	7701076.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H17 I2 N3 Pd S3
Calculated formula	C20 H17 I2 N3 Pd S3
Title of publication	Synthesis and electropolymerization of N-heterocyclic carbene complexes of Pd(ii) and Pt(ii) from an emissive imidazolium salt with a terthiophene backbone.
Authors of publication	Wang, Weiran; Guo, Hongyu; Jones, Richard A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	38
Pages of publication	14440 - 14449
a	22.1504 ± 0.0019 Å
b	11.3508 ± 0.0009 Å
c	19.5686 ± 0.0017 Å
α	90°
β	98.853 ± 0.002°
γ	90°
Cell volume	4861.4 ± 0.7 Å³
Cell temperature	100.15 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0412
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0861
Weighted residual factors for all reflections included in the refinement	0.0876
Goodness-of-fit parameter for all reflections included in the refinement	1.161
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224552 (current)	2019-11-08	cif/ Updating files of 7701073, 7701074, 7701075, 7701076 Original log message: Adding full bibliography for 7701073--7701076.cif.	7701076.cif
218060	2019-09-07	cif/ Adding structures of 7701073, 7701074, 7701075, 7701076 via cif-deposit CGI script.	7701076.cif