Crystallography Open Database

Information card for entry 4325235

Preview

Coordinates	4325235.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H24 N3 Ni2 O9
Calculated formula	C40 H24 N3 Ni2 O9
Title of publication	Investigation of Porous Ni-Based Metal-Organic Frameworks Containing Paddle-Wheel Type Inorganic Building Units via High-Throughput Methods
Authors of publication	Palanikumar Maniam; Norbert Stock
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	5085 - 5097
a	26.816 ± 0.003 Å
b	26.816 ± 0.003 Å
c	26.816 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	19283 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	204
Hermann-Mauguin space group symbol	I m -3
Hall space group symbol	-I 2 2 3
Residual factor for all reflections	0.0826
Residual factor for significantly intense reflections	0.0762
Weighted residual factors for significantly intense reflections	0.2393
Weighted residual factors for all reflections included in the refinement	0.2468
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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
179355 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/52.	4325235.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325235.cif
43688	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325235 via cif-deposit CGI script.	4325235.cif