Crystallography Open Database

Information card for entry 7214645

Preview

Coordinates	7214645.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36.33 H42 Cl4 Cu4 N12 O16.33
Calculated formula	C36.33 H42 Cl4 Cu4 N12 O16.33
Title of publication	Structural controls of 2D sheet copper(i) ethylene and carbonyl coordination polymers directed by anions and solvents
Authors of publication	Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda‒Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	18
Pages of publication	5955
a	14.448 ± 0.014 Å
b	14.448 ± 0.014 Å
c	21.25 ± 0.02 Å
α	90°
β	90°
γ	120°
Cell volume	3842 ± 6 Å³
Cell temperature	119 ± 2 K
Ambient diffraction temperature	119 ± 2 K
Number of distinct elements	6
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.0574
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1252
Weighted residual factors for all reflections included in the refinement	0.1293
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180477 (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 7/21/46.	7214645.cif
110935	2014-04-20	cif/ Adding structures of 7214644, 7214645, 7214646, 7214647 via cif-deposit CGI script.	7214645.cif