Crystallography Open Database

Information card for entry 4507461

Preview

Coordinates	4507461.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H18 Ni0.5 O7
Calculated formula	C21 H16 Ni0.5 O7
Title of publication	Synthesis, Characterization, and Adsorption Studies of Nickel(II), Zinc(II), and Magnesium(II) Coordination Frameworks of BTTB
Authors of publication	Karra, Jagadeswara R.; Huang, You-Gui; Walton, Krista S.
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	3
Pages of publication	1075
a	6.2836 ± 0.0016 Å
b	10.732 ± 0.003 Å
c	14.356 ± 0.004 Å
α	95.441 ± 0.004°
β	98.941 ± 0.004°
γ	103.448 ± 0.004°
Cell volume	921.4 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1307
Residual factor for significantly intense reflections	0.0767
Weighted residual factors for significantly intense reflections	0.2188
Weighted residual factors for all reflections included in the refinement	0.2553
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4507461.cif
85520	2013-05-07	cif/ Adding structures of 4507461 via cif-deposit CGI script.	4507461.cif