Crystallography Open Database

Information card for entry 4327331

Preview

Coordinates	4327331.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H69 Ba2 Co N4 O12
Calculated formula	C36 H69 Ba2 Co N4 O12
SMILES	[Ba]123456([O]=C(C=C([O]1[Ba]1789%10([O]=C(C=C(O1)C)C)([OH]CC[N]9(C)C)[O]1[Co]9([O]=C(C=C1C)C)([O]3CC[N]6(C)C)([O]47CC[N]9(C)C)[O]58CC[N]%10(C)C)C)C)OC(=CC(=[O]2)C)C
Title of publication	Synthesis and Structural Characterization of a New Heterobimetallic Coordination Complex of Barium and Cobalt for Use as a Precursor for Chemical Vapor Deposition
Authors of publication	Asif A. Tahir; Kieran C. Molloy; Muhammad Mazhar; Gabriele Kociok-Köhn; Mazhar Hamid; Sarim Dastgir
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	9207 - 9212
a	11.141 ± 0.0001 Å
b	19.371 ± 0.0002 Å
c	22.322 ± 0.0003 Å
α	90°
β	99.871 ± 0.001°
γ	90°
Cell volume	4746.05 ± 0.09 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0631
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0766
Weighted residual factors for all reflections included in the refinement	0.0862
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
179376 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/73.	4327331.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327331.cif
61095	2012-06-21	cif/ Adding structures of 4327331 via cif-deposit CGI script.	4327331.cif