Crystallography Open Database

Information card for entry 7024281

Preview

Coordinates	7024281.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	diaceto(tris(4- pyridylmethylamino)cyclotriguaiacylene)cadmium(ii) 1,2- dicarbadodecaborane(12) hydrate
Chemical name	diaceto{tris(4-pyridylmethylamino)cyclotriguaiacylene}cadmium(II) 1,2-dicarbadodecaborane(12) hydrate
Formula	C48 H64 B10 Cd N6 O9
Calculated formula	C48 H60 B10 Cd N6 O9
Title of publication	Host-guest influence on metallo-supramolecular assemblies with a cyclotriveratrylene-type ligand.
Authors of publication	Carruthers, Christopher; Fisher, Julie; Harding, Lindsay P.; Hardie, Michaele J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	2
Pages of publication	355 - 357
a	19.6188 ± 0.0018 Å
b	14.3436 ± 0.0012 Å
c	22.743 ± 0.002 Å
α	90°
β	113.048 ± 0.005°
γ	90°
Cell volume	5889.1 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.17
Residual factor for significantly intense reflections	0.0831
Weighted residual factors for significantly intense reflections	0.2273
Weighted residual factors for all reflections included in the refinement	0.2898
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179947 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/42.	7024281.cif
92347	2014-01-12	cif/ Adding structures of 7024281 via cif-deposit CGI script.	7024281.cif