Crystallography Open Database

Information card for entry 4508224

Preview

Coordinates	4508224.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H33 Co2 N3 O19 Ti
Calculated formula	C33 H24 Co2.01 N3 O19 Ti0.99
Title of publication	Bistable and Porous Metal‒Organic Frameworks with Charge-NeutralacsNet Based on Heterometallic M3O(CO2)6Building Blocks
Authors of publication	Hong, Keunil; Bak, Woojeong; Moon, Dohyun; Chun, Hyungphil
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	9
Pages of publication	4066
a	15.772 ± 0.002 Å
b	15.772 ± 0.002 Å
c	16.2 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	3489.9 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.098
Residual factor for significantly intense reflections	0.097
Weighted residual factors for significantly intense reflections	0.2896
Weighted residual factors for all reflections included in the refinement	0.2901
Goodness-of-fit parameter for all reflections included in the refinement	1.129
Diffraction radiation wavelength	0.62001 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179618 (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 4/50/82.	4508224.cif
88949	2013-10-09	cif/ Adding structures of 4508224, 4508225 via cif-deposit CGI script.	4508224.cif