Crystallography Open Database

Information card for entry 7018850

Preview

Coordinates	7018850.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Co7(OH)6(immp-Ph)6)(NO3)2.3MeCN
Formula	C90 H87 Co7 N12 O27
Calculated formula	C90 H87 Co7 N12 O27
Title of publication	Investigating the solid state hosting abilities of homo- and hetero-valent [Co(7)] metallocalix[6]arenes.
Authors of publication	Meally, Seán T; McDonald, Cecelia; Kealy, Patrick; Taylor, Stephanie M.; Brechin, Euan K.; Jones, Leigh F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	18
Pages of publication	5610 - 5616
a	29.2767 ± 0.0015 Å
b	12.9879 ± 0.0005 Å
c	24.4043 ± 0.0009 Å
α	90°
β	92.797 ± 0.005°
γ	90°
Cell volume	9268.5 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1204
Residual factor for significantly intense reflections	0.0697
Weighted residual factors for significantly intense reflections	0.1385
Weighted residual factors for all reflections included in the refinement	0.1693
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
179892 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/88.	7018850.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018850.cif
55974	2012-05-08	cif/ Adding structures of 7018847, 7018848, 7018849, 7018850, 7018851, 7018852 via cif-deposit CGI script.	7018850.cif