Crystallography Open Database

Information card for entry 7003196

Preview

Coordinates	7003196.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	sg169
Formula	C39.25 H62.75 Cl3 N13.25 O17.5 Pd2
Calculated formula	C39.25 H52 Cl3 N13.25 O17.5 Pd2
Title of publication	Coordination driven self-assembly of four new molecular boats using a flexible imidazole-containing donor linker
Authors of publication	Ghosh, Sushobhan; Chakrabarty, Rajesh; Mukherjee, Partha Sarathi
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	14
Pages of publication	1850 - 1856
a	14.786 ± 0.002 Å
b	17.297 ± 0.003 Å
c	21.718 ± 0.003 Å
α	90°
β	101.913 ± 0.003°
γ	90°
Cell volume	5434.8 ± 1.4 Å³
Cell temperature	293 ± 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1204
Residual factor for significantly intense reflections	0.0859
Weighted residual factors for significantly intense reflections	0.225
Weighted residual factors for all reflections included in the refinement	0.2508
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7003196.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003196.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003196.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003196.cif