Crystallography Open Database

Information card for entry 1512948

Preview

Coordinates	1512948.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24.5 H54 Ba O14 Pd
Calculated formula	C24.5 H40.5 Ba O14 Pd
Title of publication	Unexpected retention of the Pd-Ba heterobimetallic structure upon Pd(mu-OOCMe)4Ba(HOOCMe)4 to 18-crown-6 attachment
Authors of publication	Sergei E. Nefedov; Elena V. Kushan; Marina A. Uvarova; Natalia Yu. Kozitsyna; Michael N. Vargaftik; Ilya I. Moiseev
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	395
Pages of publication	104 - 108
a	12.7761 ± 0.0014 Å
b	16.6367 ± 0.0014 Å
c	18.8337 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	4003.1 ± 0.7 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.1177
Residual factor for significantly intense reflections	0.0637
Weighted residual factors for significantly intense reflections	0.1637
Weighted residual factors for all reflections included in the refinement	0.2038
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1512948.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512948.cif
91280	2013-12-11	cif/ Adding structures of 1512948 via cif-deposit CGI script.	1512948.cif