Crystallography Open Database

Information card for entry 4501758

Preview

Coordinates	4501758.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Zn8Co(F1)5(124-btac)6(H2O)5]-12.7(H2O)
Formula	C129 H113.4 Co N30 O53.7 Zn8
Calculated formula	C129 H78 Co N30 O53.7 Zn8
Title of publication	Ligand-Directed and pH-Controlled Assembly of Chiral 3d−3d Heterometallic Metal−Organic Frameworks
Authors of publication	Su, Zhi; Fan, Jian; Okamura, Taka-aki; Sun, Wei-Yin; Ueyama, Norikazu
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	8
Pages of publication	3515
a	19.91 ± 0.003 Å
b	19.91 ± 0.003 Å
c	20.117 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	6906.2 ± 1.8 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	6
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.1018
Residual factor for significantly intense reflections	0.0827
Weighted residual factors for significantly intense reflections	0.2111
Weighted residual factors for all reflections included in the refinement	0.2223
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4501758.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501758.cif
36090	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501758, 4501759, 4501760 via cif-deposit CGI script.	4501758.cif