Crystallography Open Database

Information card for entry 7034462

Preview

Coordinates	7034462.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[{t-BuC6H4)3CCONH}2C6H3COOH]-3(AcOEt)
Formula	C83 H108 N2 O10
Calculated formula	C83 H108 N2 O10
Title of publication	Synthesis and structures of soluble magnesium and zinc carboxylates containing intramolecular NHO hydrogen bonds in nonpolar solvents.
Authors of publication	Okamura, Taka-Aki; Furuya, Ryosuke; Onitsuka, Kiyotaka
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	16
Pages of publication	7512 - 7523
a	18.9473 ± 0.0008 Å
b	13.9306 ± 0.0006 Å
c	28.662 ± 0.002 Å
α	90°
β	96.968 ± 0.007°
γ	90°
Cell volume	7509.4 ± 0.7 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0891
Residual factor for significantly intense reflections	0.077
Weighted residual factors for significantly intense reflections	0.2036
Weighted residual factors for all reflections included in the refinement	0.2156
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180050 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/44.	7034462.cif
138637	2015-06-07	cif/ Updating files of 7034462, 7034463, 7034464, 7034465, 7034466, 7034467 Original log message: Adding full bibliography for 7034462--7034467.cif.	7034462.cif
134108	2015-03-19	cif/ Adding structures of 7034462, 7034463, 7034464, 7034465, 7034466, 7034467 via cif-deposit CGI script.	7034462.cif