Crystallography Open Database

Information card for entry 7214647

Preview

Coordinates	7214647.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H56 B4 Cu4 F16 N16 O8
Calculated formula	C48 H44 B4 Cu4 F16 N16 O8
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	12.9479 ± 0.0009 Å
b	12.9479 ± 0.0009 Å
c	40.274 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	6751.9 ± 0.8 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	7
Space group number	122
Hermann-Mauguin space group symbol	I -4 2 d
Hall space group symbol	I -4 2bw
Residual factor for all reflections	0.0442
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1157
Weighted residual factors for all reflections included in the refinement	0.1179
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7214647.cif
110935	2014-04-20	cif/ Adding structures of 7214644, 7214645, 7214646, 7214647 via cif-deposit CGI script.	7214647.cif