Crystallography Open Database

Information card for entry 4324258

Preview

Coordinates	4324258.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H47.52 Co N10 O14.76
Calculated formula	C46 H46 Co N10 O14.766
Title of publication	Homochiral, Helical Supramolecular Metal-Organic Frameworks Organized by Strong π...π Stacking Interactions: Single-Crystal to Single-Crystal Transformations in Closely Packed Solids
Authors of publication	Daniel L. Reger; Jacob J. Horger; Mark D. Smith; Gary J. Long; Fernande Grandjean
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	686 - 704
a	11.3686 ± 0.0001 Å
b	11.3686 ± 0.0001 Å
c	61.4475 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	6877.79 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	178
Hermann-Mauguin space group symbol	P 61 2 2
Hall space group symbol	P 61 2 (0 0 5)
Residual factor for all reflections	0.0474
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1092
Weighted residual factors for all reflections included in the refinement	0.1101
Goodness-of-fit parameter for all reflections included in the refinement	1.159
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4324258.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324258.cif
40963	2012-03-09	../uploads/cif-deposit/cod/cif Adding structures of 4324258 via cif-deposit CGI script.	4324258.cif