Crystallography Open Database

Information card for entry 7112962

Preview

Coordinates	7112962.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 Cl N3 Pd
Calculated formula	C22 H22 Cl N3 Pd
SMILES	[Pd]1(N(C(=CC(=[N]1c1ccccc1)C)C)c1ccccc1)(Cl)[n]1ccccc1
Title of publication	Unusual transmetallation-induced formation of a C2-symmetric tetrapallada-macrocycle.
Authors of publication	Annibale, Vincent T.; Lund, Liisa M.; Song, Datong
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	43
Pages of publication	8261 - 8263
a	6.452 ± 0.0005 Å
b	10.736 ± 0.001 Å
c	29.278 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2028 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c 21 b
Hall space group symbol	P -2bc -2c
Residual factor for all reflections	0.0519
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0704
Weighted residual factors for all reflections included in the refinement	0.0769
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
180243 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/29.	7112962.cif
112186	2014-04-30	cif/ Adding structures of 7112962, 7112963, 7112964, 7112965 via cif-deposit CGI script.	7112962.cif