Crystallography Open Database

Information card for entry 4509178

Preview

Coordinates	4509178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H70.5 Cd3 N10 O22.25
Calculated formula	C84 H70.5 Cd3 N10 O22.25
Title of publication	Spontaneous Assembly of 63Topological Metal−Organic Nanotubes with Distinct Asymmetric Subunits for the Construction of Hydrophilic Intertube Channels Encapsulating Rare Helical Water-Chains
Authors of publication	Huang, Kun-Lin; Liu, Xi; Chen, Xin; Wang, Da-Qi
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	4
Pages of publication	1646
a	55.816 ± 0.003 Å
b	55.816 ± 0.003 Å
c	13.957 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	37657 ± 6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.1516
Residual factor for significantly intense reflections	0.0788
Weighted residual factors for significantly intense reflections	0.218
Weighted residual factors for all reflections included in the refinement	0.2806
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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.	4509178.cif
97160	2014-01-29	cif/ Adding structures of 4509178 via cif-deposit CGI script.	4509178.cif