Crystallography Open Database

Information card for entry 4324256

Preview

Coordinates	4324256.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H46 N10 Ni O16.83
Calculated formula	C46 H46 N10 Ni O16.832
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	11.348 ± 0.0004 Å
b	11.348 ± 0.0004 Å
c	62.182 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	6934.8 ± 0.5 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.0424
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.1022
Weighted residual factors for all reflections included in the refinement	0.1032
Goodness-of-fit parameter for all reflections included in the refinement	1.221
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4324256.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324256.cif
40961	2012-03-09	../uploads/cif-deposit/cod/cif Adding structures of 4324256 via cif-deposit CGI script.	4324256.cif