Crystallography Open Database

Information card for entry 7128926

Preview

Coordinates	7128926.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61.5 H44 B Cl3 F24 N3 O P Pd
Calculated formula	C61.501 H44.002 B Cl3.002 F24 N3 O P Pd
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	13.38647 ± 0.00013 Å
b	14.66903 ± 0.00016 Å
c	18.7357 ± 0.00019 Å
α	108.071 ± 0.0009°
β	94.0455 ± 0.0008°
γ	112.832 ± 0.001°
Cell volume	3146.07 ± 0.07 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0688
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1069
Weighted residual factors for all reflections included in the refinement	0.1274
Goodness-of-fit parameter for all reflections included in the refinement	1.124
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.	7128926.cif