Crystallography Open Database

Information card for entry 7128933

Preview

Coordinates	7128933.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H80 B2 Cu2 F48 N6 O2 P2 Pd2
Calculated formula	C120 H80 B2 Cu2 F48 N6 O2 P2 Pd2
Title of publication	Construction of modular Pd/Cu multimetallic chains via ligand- and anion-controlled metal-metal interactions
Authors of publication	Rivada Wheelaghan, Orestes; Deolka, Shubham; Govindarajan, Ramadoss; Khaskin, Eugene; Fayzullin, Robert R.; Pal, Shrinwantu; Khusnutdinova, Julia R.
Journal of publication	Chemical Communications
Year of publication	2021
a	10.34121 ± 0.00011 Å
b	20.0511 ± 0.0002 Å
c	28.2805 ± 0.0003 Å
α	90°
β	91.827 ± 0.0009°
γ	90°
Cell volume	5861.06 ± 0.11 Å³
Cell temperature	94 ± 2 K
Ambient diffraction temperature	94 ± 2 K
Number of distinct elements	9
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	0.035
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0805
Weighted residual factors for all reflections included in the refinement	0.0826
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
268367 (current)	2021-09-03	cif/ Adding structures of 7128926, 7128927, 7128928, 7128929, 7128930, 7128931, 7128932, 7128933 via cif-deposit CGI script.	7128933.cif