Crystallography Open Database

Information card for entry 1504497

Preview

Coordinates	1504497.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H98 N20 O50 Pd2
Calculated formula	C76 H98 N20 O50 Pd2
Title of publication	Self-assembly of 1:2 inclusion complexes between a metallocycle host and dihydroxyaromatic guests: a redox controlled complexation process.
Authors of publication	Blanco, Víctor; Chas, Marcos; Abella, Dolores; Pía, Elena; Platas-Iglesias, Carlos; Peinador, Carlos; Quintela, José M
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	3
Pages of publication	409 - 412
a	32.6438 ± 0.0013 Å
b	10.0301 ± 0.0004 Å
c	29.2548 ± 0.0012 Å
α	90°
β	106.329 ± 0.001°
γ	90°
Cell volume	9192.3 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1211
Residual factor for significantly intense reflections	0.094
Weighted residual factors for significantly intense reflections	0.2433
Weighted residual factors for all reflections included in the refinement	0.2667
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1504497.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504497.cif
42114	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504496, 1504497 via cif-deposit CGI script.	1504497.cif