Crystallography Open Database

Information card for entry 7112964

Preview

Coordinates	7112964.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H44 Cl4 N4 Pd4
Calculated formula	C46 H44 Cl4 N4 Pd4
SMILES	CC1C2C(C)=[N]([Pd]3([N]=1c1ccccc1)[Cl][Pd](C1C(C)=[N](c4ccccc4)[Pd]4([N](=C1C)c1ccccc1)[Cl][Pd]2(c1ccccc1)[Cl]4)(c1ccccc1)[Cl]3)c1ccccc1
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	21.5383 ± 0.0008 Å
b	13.627 ± 0.0003 Å
c	18.8184 ± 0.0006 Å
α	90°
β	124.523 ± 0.0011°
γ	90°
Cell volume	4550.6 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0439
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0881
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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.	7112964.cif
112186	2014-04-30	cif/ Adding structures of 7112962, 7112963, 7112964, 7112965 via cif-deposit CGI script.	7112964.cif