Crystallography Open Database

Information card for entry 7111624

Preview

Coordinates	7111624.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H9 O15 S3 Zn4
Calculated formula	C18.99 H8.97 O14.99 S3 Zn4
Title of publication	Periodic molecular boxes in entangled enantiomorphic lcy nets
Authors of publication	Takashima, Yohei; Bonneau, Charlotte; Furukawa, Shuhei; Kondo, Mio; Matsuda, Ryotaro; Kitagawa, Susumu
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	23
Pages of publication	4142 - 4144
a	19.025 ± 0.003 Å
b	19.025 ± 0.003 Å
c	19.025 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	6886.1 ± 1.9 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0593
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1618
Weighted residual factors for all reflections included in the refinement	0.1633
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7111624.cif
96707	2014-01-29	cif/ Adding structures of 7111624 via cif-deposit CGI script.	7111624.cif