Crystallography Open Database

Information card for entry 4121440

Preview

Coordinates	4121440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C220 H194 Au2 Cu9 F48 K N40 O3 P8
Calculated formula	C220 H192 Au2 Cu9 F48 K N40 O3 P8
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	23.215 ± 0.006 Å
b	46.98 ± 0.012 Å
c	22.848 ± 0.006 Å
α	90°
β	90.171 ± 0.002°
γ	90°
Cell volume	24919 ± 11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1312
Residual factor for significantly intense reflections	0.1172
Weighted residual factors for significantly intense reflections	0.3297
Weighted residual factors for all reflections included in the refinement	0.3418
Goodness-of-fit parameter for all reflections included in the refinement	1.546
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	synchrotron
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.	4121440.cif
107780	2014-03-22	cif/ Adding structures of 4121434, 4121435, 4121436, 4121437, 4121438, 4121439, 4121440, 4121441 via cif-deposit CGI script.	4121440.cif