Crystallography Open Database

Information card for entry 7015563

Preview

Coordinates	7015563.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H57 Cl Co2 N2 O2 Pd
Calculated formula	C66 H56.99 Cl Co2 N2 O2 Pd
Title of publication	Palladacycles of novel bisoxazoline chelating ligands based on the dimeric cyclobutadiene linked cobalt sandwich compound [(η5-Cp)Co(η4-C4Ph3)]2.
Authors of publication	Singh, Nem; Elias, Anil J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	18
Pages of publication	4882 - 4891
a	14.0227 ± 0.0011 Å
b	12.1489 ± 0.001 Å
c	16.287 ± 0.0013 Å
α	90°
β	107.687 ± 0.002°
γ	90°
Cell volume	2643.5 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0653
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.0873
Goodness-of-fit parameter for all reflections included in the refinement	0.879
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7015563.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015563.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015563.cif
21191	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7015560, 7015561, 7015562, 7015563, 7015564, 7015565, 7015566 via cif-deposit CGI script.	7015563.cif