Crystallography Open Database

Information card for entry 4107382

Preview

Coordinates	4107382.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H2.25 N0.75 Ni0.75 O3.9
Calculated formula	C6 H2.25 N0.75 Ni0.75 O3.9
Title of publication	Supermolecular Building Blocks (SBBs) and Crystal Design: 12-Connected Open Frameworks Based on a Molecular Cubohemioctahedron
Authors of publication	Amy J. Cairns; Jason A. Perman; Lukasz Wojtas; Victor Ch. Kravtsov; Mohamed H. Alkordi; Mohamed Eddaoudi; Michael J. Zaworotko
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	1560 - 1561
a	31.34 ± 0.0007 Å
b	31.34 ± 0.0007 Å
c	31.34 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	30782 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	202
Hermann-Mauguin space group symbol	F m -3
Hall space group symbol	-F 2 2 3
Residual factor for all reflections	0.1575
Residual factor for significantly intense reflections	0.1432
Weighted residual factors for significantly intense reflections	0.3462
Weighted residual factors for all reflections included in the refinement	0.3575
Goodness-of-fit parameter for all reflections included in the refinement	1.111
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.	4107382.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107382.cif
55047	2012-05-02	cif/ Adding structures of 4107382 via cif-deposit CGI script.	4107382.cif