Crystallography Open Database

Information card for entry 4103269

Preview

Coordinates	4103269.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H49 Cl2 N2 Pd
Calculated formula	C61 H49 Cl2 N2 Pd
Title of publication	Stepwise Assembly of Coordination-Based Metal-Organic Networks
Authors of publication	Revital Kaminker; Leila Motiei; Antonino Gulino; Ignazio Fragalà; Linda J. W. Shimon; Guennadi Evmenenko; Pulak Dutta; Mark A. Iron; Milko E. van der Boom
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	14554 - 14561
a	17.8217 ± 0.0013 Å
b	6.837 ± 0.0005 Å
c	26.0357 ± 0.0016 Å
α	90°
β	124.977 ± 0.004°
γ	90°
Cell volume	2599.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0985
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1419
Weighted residual factors for all reflections included in the refinement	0.1663
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
178778 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/32.	4103269.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103269.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103269.cif
26250	2011-09-21	../uploads/cif-deposit/cod/cif Adding structures of 4103269 via cif-deposit CGI script.	4103269.cif