Crystallography Open Database

Information card for entry 1519713

1519712 << 1519713 >> 1519714

Preview

Coordinates	1519713.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H78 Br4 Cl2 P4 Pd2
Calculated formula	C51 H78 Br4 Cl2 P4 Pd2
Title of publication	Palladium carbene complexes as persistent radicals
Authors of publication	Comanescu, C. C.; Vyushkova, M.; Iluc, V. M.
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	8
Pages of publication	4570
a	10.3876 ± 0.0009 Å
b	16.2993 ± 0.0014 Å
c	17.0895 ± 0.0015 Å
α	90°
β	103.477 ± 0.0014°
γ	90°
Cell volume	2813.8 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
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	0.0239
Residual factor for significantly intense reflections	0.0185
Weighted residual factors for significantly intense reflections	0.0423
Weighted residual factors for all reflections included in the refinement	0.0435
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
176428 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary.	1519713.cif
153082	2015-08-08	cif/ Updating files of 1519705, 1519706, 1519707, 1519708, 1519709, 1519710, 1519711, 1519712, 1519713 Original log message: Adding full bibliography for 1519705--1519713.cif.	1519713.cif
136929	2015-05-19	cif/ Adding structures of 1519705, 1519706, 1519707, 1519708, 1519709, 1519710, 1519711, 1519712, 1519713 via cif-deposit CGI script.	1519713.cif