Crystallography Open Database

Information card for entry 4339665

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Coordinates	4339665.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H42 Cl2 Cu2 N12 O Pd
Calculated formula	C44 H42 Cl2 Cu2 N12 O Pd
SMILES	[Pd]12345[Cu]678(Cl)[n]9ccccc9N2c2[n]([Cu]1(Cl)([n]1c(N3c3[n]6cccc3)cccc1)([n]1c(N4c3[n]7cccc3)cccc1)[n]1c(N5c3[n]8cccc3)cccc1)cccc2.O(CC)CC
Title of publication	Cu-Pd-Cu and Cu-Pt-Cu linear frameworks: synthesis, magnetic properties, and theoretical analysis of two mixed-metal complexes of dipyridylamide (dpa), isostructural, and isoelectronic with [Cu3(dpa)4Cl2]+.
Authors of publication	Liu, Isiah Po-Chun; Lee, Gene-Hsiang; Peng, Shie-Ming; Bénard, Marc; Rohmer, Marie-Madeleine
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	23
Pages of publication	9602 - 9608
a	16.1125 ± 0.0002 Å
b	15.761 ± 0.0002 Å
c	16.9971 ± 0.0002 Å
α	90°
β	99.2852 ± 0.0005°
γ	90°
Cell volume	4259.84 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.0491
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
179499 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/96.	4339665.cif
117462	2014-06-15	cif/ Adding structures of 4339665 via cif-deposit CGI script.	4339665.cif