Crystallography Open Database

Information card for entry 4068892

Preview

Coordinates	4068892.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H61 B Cl N5 O2 Pd
Calculated formula	C57 H61 B Cl N5 O2 Pd
Title of publication	Silver and Palladium Complexes of a Bis(benzimidazolin-2-ylidene)pyridine Pincer Ligand
Authors of publication	Brown, David H.; Nealon, Gareth L.; Simpson, Peter V.; Skelton, Brian W.; Wang, Zhisen
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	6
Pages of publication	1965
a	16.2612 ± 0.0003 Å
b	14.0076 ± 0.0002 Å
c	22.0855 ± 0.0008 Å
α	90°
β	99.021 ± 0.003°
γ	90°
Cell volume	4968.4 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0724
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.0905
Weighted residual factors for all reflections included in the refinement	0.097
Goodness-of-fit parameter for all reflections included in the refinement	0.93
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
178578 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/88.	4068892.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068892.cif
40024	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068890, 4068891, 4068892, 4068893 via cif-deposit CGI script.	4068892.cif