Crystallography Open Database

Information card for entry 4121441

Preview

Coordinates	4121441.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C208 H168 B8 Cu8 F32 N32
Calculated formula	C208 H168 B4 Cu8 F16 N32
Title of publication	Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures.
Authors of publication	Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	10
Pages of publication	3972 - 3980
a	35.492 ± 0.009 Å
b	35.492 ± 0.009 Å
c	20.593 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	25941 ± 11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	81
Hermann-Mauguin space group symbol	P -4
Hall space group symbol	P -4
Residual factor for all reflections	0.1105
Residual factor for significantly intense reflections	0.0841
Weighted residual factors for significantly intense reflections	0.2206
Weighted residual factors for all reflections included in the refinement	0.2384
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179016 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/14.	4121441.cif
107780	2014-03-22	cif/ Adding structures of 4121434, 4121435, 4121436, 4121437, 4121438, 4121439, 4121440, 4121441 via cif-deposit CGI script.	4121441.cif