Crystallography Open Database

Information card for entry 7014902

Preview

Coordinates	7014902.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 N4 O4 Pd
Calculated formula	C26 H22 N4 O4 Pd
Title of publication	Oxazoles revisited: On the nature of binding of benzoxazole and 2-methylbenzoxazole with the zinc and palladium halides.
Authors of publication	Jones, Roderick C.; Chojnacka, Maja W.; Quail, J. Wilson; Gardiner, Michael G.; Decken, Andreas; Yates, Brian F.; Gossage, Robert A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	7
Pages of publication	1594 - 1600
a	12.005 ± 0.004 Å
b	18.804 ± 0.0014 Å
c	19.233 ± 0.0014 Å
α	90°
β	92.225 ± 0.002°
γ	90°
Cell volume	4338.4 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0384
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0925
Weighted residual factors for all reflections included in the refinement	0.0945
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.77487 Å
Diffraction radiation type	Synchrotron
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.	7014902.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7014902.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7014902.cif
14879	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 7014898, 7014899, 7014900, 7014901, 7014902 via cif-deposit CGI script.	7014902.cif