Crystallography Open Database

Information card for entry 4501756

Preview

Coordinates	4501756.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 Co4 N2 O14
Calculated formula	C28 H22 Co4 N2 O14
SMILES	C1[C]23=[C]4(CC(C(=O)NC[C]56=[C]7(CC(C(=O)N1)(C)C)[Co]5(C#[O])(C#[O])(C#[O])[Co]67(C#[O])(C#[O])C#[O])(C)C)[Co]2(C#[O])(C#[O])(C#[O])[Co]34(C#[O])(C#[O])C#[O]
Title of publication	Hierarchical Self-Assembly of Lactams into Supramolecular CO-Spiked “Sea Urchins” and Then into a Channeled Crystal
Authors of publication	Baillargeon, Pierre; Fortin, Daniel; Dory, Yves L.
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	10
Pages of publication	4357
a	29.4 ± 0.02 Å
b	29.4 ± 0.02 Å
c	24.86 ± 0.03 Å
α	90°
β	90°
γ	120°
Cell volume	18609 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.6822
Residual factor for significantly intense reflections	0.1998
Weighted residual factors for significantly intense reflections	0.1825
Weighted residual factors for all reflections included in the refinement	0.2761
Goodness-of-fit parameter for all reflections included in the refinement	0.758
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
179548 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/17.	4501756.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501756.cif
36088	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501756 via cif-deposit CGI script.	4501756.cif