Crystallography Open Database

Information card for entry 7128931

Preview

Coordinates	7128931.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C127 H95.5 B2 Cl5 Cu2 F48 N6 O2 P2 Pd2
Calculated formula	C127 H95.5 B2 Cl5 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	10.15573 ± 0.00012 Å
b	17.53056 ± 0.00019 Å
c	19.6874 ± 0.0002 Å
α	68.2328 ± 0.001°
β	84.5431 ± 0.0009°
γ	84.2304 ± 0.0009°
Cell volume	3232.31 ± 0.07 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	10
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0484
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0944
Weighted residual factors for all reflections included in the refinement	0.0993
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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.	7128931.cif