Crystallography Open Database

Information card for entry 7017217

Preview

Coordinates	7017217.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C216 H174 B8 Cd4 F26 N36
Calculated formula	C216 H174 B5.5 Cd4 F16 N36
Title of publication	Structures, host-guest chemistry and mechanism of stepwise self-assembly of M(4)L(6) tetrahedral cage complexes.
Authors of publication	Hall, Benjamin R.; Manck, Lauren E.; Tidmarsh, Ian S.; Stephenson, Andrew; Taylor, Brian F.; Blaikie, Emma J.; Griend, Douglas A Vander; Ward, Michael D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	45
Pages of publication	12132 - 12145
a	35.7585 ± 0.0007 Å
b	35.7585 ± 0.0007 Å
c	35.7585 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	45723.3 ± 1.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	197
Hermann-Mauguin space group symbol	I 2 3
Hall space group symbol	I 2 2 3
Residual factor for all reflections	0.1156
Residual factor for significantly intense reflections	0.0826
Weighted residual factors for significantly intense reflections	0.2156
Weighted residual factors for all reflections included in the refinement	0.2371
Goodness-of-fit parameter for all reflections included in the refinement	0.99
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
179876 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/72.	7017217.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7017217.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7017217.cif
31273	2011-12-13	../uploads/cif-deposit/cod/cif Adding structures of 7017213, 7017214, 7017215, 7017216, 7017217, 7017218 via cif-deposit CGI script.	7017217.cif