Crystallography Open Database

Information card for entry 7211778

Preview

Coordinates	7211778.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Ni7(OH)6(L1)6)(NO3)2.3MeNO2
Formula	C57 H75 N11 Ni7 O24
Calculated formula	C57 H60 N11 Ni7 O30
Title of publication	Planar [Ni7] discs as double-bowl, pseudo metallacalix[6]arene host cavities
Authors of publication	Meally, Seán T.; Karotsis, Georgios; Brechin, Euan K.; Papaefstathiou, Giannis S.; Dunne, Peter W.; McArdle, Patrick; Jones, Leigh F.
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	1
Pages of publication	59
a	13.933 ± 0.002 Å
b	13.933 ± 0.002 Å
c	22.742 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	3823.4 ± 1.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for all reflections	0.064
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1676
Weighted residual factors for all reflections included in the refinement	0.1725
Goodness-of-fit parameter for all reflections included in the refinement	1.191
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180448 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/17.	7211778.cif
92366	2014-01-12	cif/ Adding structures of 7211777, 7211778, 7211779 via cif-deposit CGI script.	7211778.cif