Crystallography Open Database

Information card for entry 7026424

Preview

Coordinates	7026424.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H56 Cl6 N14 Pd2
Calculated formula	C53 H55 Cl6 N14 Pd2
Title of publication	Pd2L2 metallacycles as molecular containers for small molecules.
Authors of publication	Zhang, Qian; He, Lisi; Liu, Jun-Min; Wang, Wei; Zhang, Jianyong; Su, Cheng-Yong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	46
Pages of publication	11171 - 11179
a	17.0274 ± 0.0007 Å
b	25.876 ± 0.002 Å
c	13.1365 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	5788 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1111
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.0928
Weighted residual factors for all reflections included in the refinement	0.1043
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
179970 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/64.	7026424.cif
93495	2014-01-13	cif/ Adding structures of 7026420, 7026421, 7026422, 7026423, 7026424, 7026425 via cif-deposit CGI script.	7026424.cif