Crystallography Open Database

Information card for entry 4327390

Preview

Coordinates	4327390.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H58 Cu3 N12 O26 S6
Calculated formula	C54 H34 Cu3 N12 O26 S6
Title of publication	A Three-Dimensional, Noninterpenetrating Metal-Organic Framework with the Moganite Topology: A Simple (42.62.82)(4.64.8)2 Net Containing Two Kinds of Topologically Nonequivalent Points
Authors of publication	Cheng-Yong Su; Mark D. Smith; Andrea M. Goforth; Hans-Conrad zur Loye
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	6881 - 6883
a	24.9202 ± 0.001 Å
b	18.7433 ± 0.0007 Å
c	14.6524 ± 0.0006 Å
α	90°
β	95.74 ± 0.001°
γ	90°
Cell volume	6809.6 ± 0.5 Å³
Cell temperature	150 ± 0.2 K
Ambient diffraction temperature	150 ± 0.2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0567
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.1057
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
179376 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/73.	4327390.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327390.cif
61161	2012-06-25	cif/ Adding structures of 4327390 via cif-deposit CGI script.	4327390.cif