Crystallography Open Database

Information card for entry 1513638

Preview

Coordinates	1513638.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H78 Co3 O18
Calculated formula	C48 H78 Co3 O18
SMILES	[Co]123456([Co]789([O]1C(C)=CC(=[O]7)OC(C)(C)C)([O]3C(=CC(OC(C)(C)C)=[O]8)C)[O]5C(C)=CC(=[O]9)OC(C)(C)C)[Co]135([O]2C(C)=CC(=[O]1)OC(C)(C)C)([O]4C(C)=CC(=[O]3)OC(C)(C)C)[O]6C(C)=CC(=[O]5)OC(C)(C)C
Title of publication	Changing the bridging connectivity pattern within a heterometallic assembly: design of single-source precursors with discrete molecular structures
Authors of publication	Wei, Zheng; Han, Haixiang; Filatov, Alexander S.; Dikarev, Evgeny V.
Journal of publication	Chemical Science
Year of publication	2014
Journal volume	5
Journal issue	2
Pages of publication	813
a	9.7761 ± 0.0011 Å
b	16.9962 ± 0.0019 Å
c	17.5593 ± 0.0019 Å
α	90°
β	100.919 ± 0.001°
γ	90°
Cell volume	2864.8 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0383
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.084
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
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.	1513638.cif
105092	2014-03-11	cif/ Adding structures of 1513635, 1513636, 1513637, 1513638 via cif-deposit CGI script.	1513638.cif