Crystallography Open Database

Information card for entry 7029147

Preview

Coordinates	7029147.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H16 Ni2 O14
Calculated formula	C29 H16 Ni2 O14
Title of publication	A novel nickel metal-organic framework with fluorite-like structure: gas adsorption properties and catalytic activity in Knoevenagel condensation.
Authors of publication	Almáši, Miroslav; Zeleňák, Vladimír; Opanasenko, Maksym; Cejka, Jíří
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	9
Pages of publication	3730 - 3738
a	14.9927 ± 0.0017 Å
b	17.2321 ± 0.0016 Å
c	24.798 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	6406.7 ± 1.2 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	4
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for all reflections	0.1365
Residual factor for significantly intense reflections	0.0863
Weighted residual factors for significantly intense reflections	0.2356
Weighted residual factors for all reflections included in the refinement	0.2556
Goodness-of-fit parameter for all reflections included in the refinement	0.899
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
179997 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/91.	7029147.cif
105524	2014-03-12	cif/ Adding structures of 7029147 via cif-deposit CGI script.	7029147.cif