Crystallography Open Database

Information card for entry 4344224

Preview

Coordinates	4344224.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120.36 H104.72 Cl0.72 F12 O12 P8 Pd4 S8
Calculated formula	C120.362 H104.724 Cl0.724 F12 O12 P8 Pd4 S8
Title of publication	Supramolecular Macrocyclic Pd(II) and Pt(II) Squares and Rectangles with Aryldithiolate Ligands and their Excellent Catalytic Activity in Suzuki C-C Coupling Reaction.
Authors of publication	Vivekananda, K. V.; Dey, S.; Maity, D. K.; Bhuvanesh, N.; Jain, V. K.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	21
Pages of publication	10153 - 10162
a	13.145 ± 0.002 Å
b	14.789 ± 0.003 Å
c	16.778 ± 0.003 Å
α	79.209 ± 0.002°
β	85.456 ± 0.002°
γ	70.708 ± 0.002°
Cell volume	3023.5 ± 0.9 Å³
Cell temperature	110.15 K
Ambient diffraction temperature	110.15 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0338
Residual factor for significantly intense reflections	0.027
Weighted residual factors for significantly intense reflections	0.06
Weighted residual factors for all reflections included in the refinement	0.0639
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
170056 (current)	2015-11-06	cif/ Updating files of 4344224, 4344225, 4344226 Original log message: Adding full bibliography for 4344224--4344226.cif.	4344224.cif
161100	2015-10-09	cif/ Adding structures of 4344224, 4344225, 4344226 via cif-deposit CGI script.	4344224.cif