Crystallography Open Database

Information card for entry 7716411

Preview

Coordinates	7716411.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H31 Cl N5 O P Pd S
Calculated formula	C31 H31 Cl N5 O P Pd S
Title of publication	Fabrication of thiosemicarbazone based Pd(II) complexes: Structural elucidations, catalytic activity towards Suzuki-Miyaura coupling reaction and antitumor activity against TNBC cells
Authors of publication	Bera, Biswajit; Jana, Pulak; Mandal, Subrata; Kundu, Sudip; Das, Akash; Chattopadhyay, Krishnananda; Mondal, Tapan Kumar
Journal of publication	Dalton Transactions
Year of publication	2024
a	8.3304 ± 0.0004 Å
b	18.3189 ± 0.0008 Å
c	20.2464 ± 0.001 Å
α	90°
β	94.35 ± 0.002°
γ	90°
Cell volume	3080.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
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	0.0335
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0633
Weighted residual factors for all reflections included in the refinement	0.0666
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7716411.html