Crystallography Open Database

Information card for entry 7112965

Preview

Coordinates	7112965.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H42 Br2 Cl8 N4 Pd2
Calculated formula	C38 H42 Br2 Cl8 N4 Pd2
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	8.8468 ± 0.0002 Å
b	23.2955 ± 0.0007 Å
c	11.6038 ± 0.0003 Å
α	90°
β	110.589 ± 0.0013°
γ	90°
Cell volume	2238.69 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0547
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.1064
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
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.	7112965.cif
112186	2014-04-30	cif/ Adding structures of 7112962, 7112963, 7112964, 7112965 via cif-deposit CGI script.	7112965.cif