Crystallography Open Database

Information card for entry 7214356

Preview

Coordinates	7214356.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C436 H556 Cu24 O96
Calculated formula	C384 H477 Cu24 O105.5
Title of publication	Packing arrangements of copper-seamed C-alkylpyrogallol[4]arene nanocapsules with varying chain lengths
Authors of publication	Kumari, Harshita; Mossine, Andrew V.; Schuster, Nathaniel J.; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	18
Pages of publication	3718
a	22.0457 ± 0.0007 Å
b	22.4594 ± 0.0007 Å
c	23.5621 ± 0.0008 Å
α	65.687 ± 0.002°
β	82.024 ± 0.002°
γ	74.965 ± 0.002°
Cell volume	10261 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1057
Residual factor for significantly intense reflections	0.0903
Weighted residual factors for significantly intense reflections	0.2578
Weighted residual factors for all reflections included in the refinement	0.2783
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180474 (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 7/21/43.	7214356.cif
109295	2014-04-10	cif/ Adding structures of 7214356 via cif-deposit CGI script.	7214356.cif