Crystallography Open Database

Information card for entry 7000715

Preview

Coordinates	7000715.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H46 Br0.57 Cl1.43 N4 Pd
Calculated formula	C41 H33 Br0.572 Cl1.428 N4 Pd
Title of publication	Canopied trans-chelating bis(N-heterocyclic carbene) ligand: synthesis, structure and catalysis
Authors of publication	Morgan, Brad P.; Galdamez, Gabriela A.; Gilliard, Jr., Robert J.; Smith, Rhett C.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	11
Pages of publication	2020 - 2028
a	10.392 ± 0.002 Å
b	13.675 ± 0.003 Å
c	15.092 ± 0.003 Å
α	109.66 ± 0.03°
β	91.31 ± 0.03°
γ	111.21 ± 0.03°
Cell volume	1857.2 ± 0.9 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0922
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1073
Weighted residual factors for all reflections included in the refinement	0.1196
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
179685 (current)	2016-03-24	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/07.	7000715.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000715.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000715.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000715.cif