Crystallography Open Database

Information card for entry 7128928

Preview

Coordinates	7128928.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30.5 H33 Cl6 Cu N3 O P Pd
Calculated formula	C30.5 H33 Cl6 Cu 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	20.5675 ± 0.0004 Å
b	16.21405 ± 0.00019 Å
c	21.6642 ± 0.0004 Å
α	90°
β	108.286 ± 0.002°
γ	90°
Cell volume	6859.8 ± 0.2 Å³
Cell temperature	95 ± 2 K
Ambient diffraction temperature	95 ± 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	0.0857
Residual factor for significantly intense reflections	0.081
Weighted residual factors for significantly intense reflections	0.2324
Weighted residual factors for all reflections included in the refinement	0.2378
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7128928.cif