Crystallography Open Database

Information card for entry 4107383

Preview

Coordinates	4107383.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32.55 H13 Co1.5 N2 O23.3
Calculated formula	C32.55 H13 Co1.5 N2 O23.2933
Title of publication	Supermolecular Building Blocks (SBBs) and Crystal Design: 12-Connected Open Frameworks Based on a Molecular Cubohemioctahedron
Authors of publication	Amy J. Cairns; Jason A. Perman; Lukasz Wojtas; Victor Ch. Kravtsov; Mohamed H. Alkordi; Mohamed Eddaoudi; Michael J. Zaworotko
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	1560 - 1561
a	39.288 ± 0.002 Å
b	39.288 ± 0.002 Å
c	39.288 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	60643 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.1627
Residual factor for significantly intense reflections	0.1296
Weighted residual factors for significantly intense reflections	0.2902
Weighted residual factors for all reflections included in the refinement	0.3058
Goodness-of-fit parameter for all reflections included in the refinement	1.18
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
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.	4107383.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107383.cif
55048	2012-05-02	cif/ Adding structures of 4107383 via cif-deposit CGI script.	4107383.cif