Crystallography Open Database

Information card for entry 1517852

Preview

Coordinates	1517852.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C111 H92 Co4 N16 O16
Calculated formula	C111 H92 Co4 N16 O16
Title of publication	New coordination features; a bridging pyridine and the forced shortest non-covalent distance between two CO32−species
Authors of publication	Velasco, V.; Aguilà, D.; Barrios, L. A.; Borilovic, I.; Roubeau, O.; Ribas-Ariño, J.; Fumanal, M.; Teat, S. J.; Aromí, G.
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	1
Pages of publication	123
a	16.833 ± 0.002 Å
b	19.112 ± 0.002 Å
c	30.84 ± 0.004 Å
α	90°
β	101.398 ± 0.001°
γ	90°
Cell volume	9726 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.059
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1732
Weighted residual factors for all reflections included in the refinement	0.1774
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517852.cif
130962	2015-02-04	cif/ Updating files of 1517851, 1517852, 1517853 Original log message: Adding full bibliography for 1517851--1517853.cif.	1517852.cif
124385	2014-09-30	cif/ Adding structures of 1517851, 1517852, 1517853 via cif-deposit CGI script.	1517852.cif