Crystallography Open Database

Information card for entry 8106990

Preview

Coordinates	8106990.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H15.5 Cl N1.5 Pd0.5
Calculated formula	C40 H31 Cl2 N3 Pd
Title of publication	Crystal structure of trans-dichlorido[1,3-bis(9-methyl-9H-fluoren-9-yl) benzimidazol-2-ylidene](pyridine)palladium(II) – a compound with anagostic CH–Pd interactions, C40H31Cl2N3Pd
Authors of publication	Teci, Matthieu; Brenner, Eric; Matt, Dominique; Toupet, Loïc
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	3
Pages of publication	733 - 735
a	16.7821 ± 0.0007 Å
b	17.1436 ± 0.0008 Å
c	11.1431 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3205.9 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0834
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0752
Weighted residual factors for all reflections included in the refinement	0.0817
Goodness-of-fit parameter for all reflections included in the refinement	0.837
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
282197 (current)	2023-04-03	cif/ Adding structures of 8106990 via cif-deposit CGI script.	8106990.cif