Crystallography Open Database

Information card for entry 4107204

Preview

Coordinates	4107204.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58.65 H45.93 Co N12.72 O2.72 S2
Calculated formula	C58.724 H45.997 Co N12.727 O2.727 S2
Title of publication	Bimolecular Reaction via the Successive Introduction of Two Substrates into the Crystals of Networked Molecular Cages
Authors of publication	Yasuhide Inokuma; Nodoka Kojima; Tatsuhiko Arai; Makoto Fujita
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	19691 - 19693
a	74.992 ± 0.003 Å
b	74.992 ± 0.003 Å
c	74.992 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	421740 ± 3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	228
Hermann-Mauguin space group symbol	F d -3 c :2
Hall space group symbol	-F 4ud 2vw 3
Residual factor for all reflections	0.1747
Residual factor for significantly intense reflections	0.1581
Weighted residual factors for significantly intense reflections	0.3892
Weighted residual factors for all reflections included in the refinement	0.3986
Goodness-of-fit parameter for all reflections included in the refinement	2.894
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
178818 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/72.	4107204.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4107204.cif
54856	2012-04-30	cif/ Adding structures of 4107204 via cif-deposit CGI script.	4107204.cif