Crystallography Open Database

Information card for entry 7028812

Preview

Coordinates	7028812.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H30 N7 Ni2 O9.5
Calculated formula	C22 H29 N7 Ni2 O9.5
Title of publication	Self-assembly of a [Ni8] carbonate cube incorporating four μ4-carbonato linkers through fixation of atmospheric CO2 by ligated [Ni2] complexes.
Authors of publication	Ghosh, Aloke Kumar; Pait, Moumita; Shatruk, Michael; Bertolasi, Valerio; Ray, Debashis
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	5
Pages of publication	1970 - 1973
a	18.5183 ± 0.0016 Å
b	18.5183 ± 0.0016 Å
c	17.4171 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	5972.8 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0759
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1378
Weighted residual factors for all reflections included in the refinement	0.1597
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7028812.cif
105433	2014-03-12	cif/ Adding structures of 7028812 via cif-deposit CGI script.	7028812.cif