Crystallography Open Database

Information card for entry 4002057

4002056 << 4002057 >> 4002058

Preview

Coordinates	4002057.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H44 Co2 Cu N14 O22
Calculated formula	C50 H38 Co2 Cu N14 O22
Title of publication	Proton Conduction in a Nonporous One Dimensional Coordination Polymer
Authors of publication	Stankiewicz, Jolanta; Tomás, Milagros; Dobrinovitch, Isabel T.; Forcén-Vázquez, Elena; Falvello, Larry R.
Journal of publication	Chemistry of Materials
Year of publication	2014
Journal volume	26
Journal issue	18
Pages of publication	5282
a	8.5422 ± 0.0003 Å
b	9.9173 ± 0.0004 Å
c	16.6816 ± 0.0007 Å
α	88.534 ± 0.003°
β	77.551 ± 0.003°
γ	84.358 ± 0.003°
Cell volume	1373.27 ± 0.09 Å³
Cell temperature	295 ± 1 K
Ambient diffraction temperature	295 ± 1 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	0.0475
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0891
Weighted residual factors for all reflections included in the refinement	0.0949
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4002057.cif
124649	2014-10-06	cif/ Updating files of 4002057 Original log message: Adding full bibliography for 4002057.cif.	4002057.cif
123235	2014-09-07	cif/ Adding structures of 4002057 via cif-deposit CGI script.	4002057.cif