Crystallography Open Database

Information card for entry 4508115

Preview

Coordinates	4508115.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Co3(TBTC)2(DMF)2]
Formula	C72 H54 Co3 N2 O20
Calculated formula	C72 H54 Co3 N2 O20
Title of publication	In situ growth of metal-organic framework thin films with gas sensing and molecule storage properties.
Authors of publication	Li, Wei-Jin; Gao, Shui-Ying; Liu, Tian-Fu; Han, Li-Wei; Lin, Zu-Jin; Cao, Rong
Journal of publication	Langmuir : the ACS journal of surfaces and colloids
Year of publication	2013
Journal volume	29
Journal issue	27
Pages of publication	8657 - 8664
a	9.749 ± 0.017 Å
b	12.66 ± 0.02 Å
c	17.06 ± 0.03 Å
α	87.01 ± 0.05°
β	88.51 ± 0.05°
γ	77.84 ± 0.07°
Cell volume	2055 ± 6 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1281
Residual factor for significantly intense reflections	0.0862
Weighted residual factors for significantly intense reflections	0.224
Weighted residual factors for all reflections included in the refinement	0.2565
Goodness-of-fit parameter for all reflections included in the refinement	0.855
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
179617 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/81.	4508115.cif
87848	2013-08-27	cif/ Adding structures of 4508115 via cif-deposit CGI script.	4508115.cif