Crystallography Open Database

Information card for entry 4509303

Preview

Coordinates	4509303.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C180 H388 Cu12 N84 O26 Ru6
Calculated formula	C180 H336 Cu12 N84 O26 Ru6
Title of publication	Transformation of a Chiral Nanoporous Bimetallic Cyano-Bridged Framework Triggered by Dehydration/Rehydration
Authors of publication	Sereda, Olha; Stoeckli-Evans, Helen; Dolomanov, Oleg; Filinchuk, Yaroslav; Pattison, Phil
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	7
Pages of publication	3168
a	13.7183 ± 0.0008 Å
b	21.3378 ± 0.0012 Å
c	24.4177 ± 0.0013 Å
α	68.715 ± 0.004°
β	78.284 ± 0.004°
γ	73.004 ± 0.005°
Cell volume	6331.3 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0756
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.0785
Weighted residual factors for all reflections included in the refinement	0.0873
Goodness-of-fit parameter for all reflections included in the refinement	0.935
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
179629 (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 4/50/93.	4509303.cif
97210	2014-01-29	cif/ Adding structures of 4509302, 4509303 via cif-deposit CGI script.	4509303.cif