Crystallography Open Database

Information card for entry 4519377

4519376 << 4519377 >> 4519378

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Coordinates	4519377.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34.5 H41 Cl F6 N3 P Pd S
Calculated formula	C34.5 H41 Cl F6 N3 P Pd S
Title of publication	Tunable “In-Chain” and “At the End of the Branches” Methyl Acrylate Incorporation in the Polyolefin Skeleton through Pd(II) Catalysis
Authors of publication	Alberoni, Chiara; D’Alterio, Massimo C.; Balducci, Gabriele; Immirzi, Barbara; Polentarutti, Maurizio; Pellecchia, Claudio; Milani, Barbara
Journal of publication	ACS Catalysis
Year of publication	2022
Journal volume	12
Journal issue	6
Pages of publication	3430 - 3443
a	12.153 ± 0.0018 Å
b	28.037 ± 0.0007 Å
c	21.613 ± 0.0007 Å
α	90°
β	94.356 ± 0.014°
γ	90°
Cell volume	7343 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0707
Residual factor for significantly intense reflections	0.0668
Weighted residual factors for significantly intense reflections	0.2017
Weighted residual factors for all reflections included in the refinement	0.2058
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.7 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
274233 (current)	2022-04-03	cif/ Adding structures of 4519377 via cif-deposit CGI script.	4519377.cif