Crystallography Open Database

Information card for entry 1514754

Preview

Coordinates	1514754.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79.5 H115.5 Co3 N8.5 O34.5
Calculated formula	C57 H31 Co3 N O15
Title of publication	Metal-organic frameworks displaying single crystal-to-single crystal transformation through postsynthetic uptake of metal clusters
Authors of publication	Li, Jia; Huang, Peng; Wu, Xue-Ru; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun
Journal of publication	Chemical Science
Year of publication	2013
Journal volume	4
Journal issue	8
Pages of publication	3232
a	17.564 ± 0.004 Å
b	25.629 ± 0.005 Å
c	20.8 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	9363 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.2561
Residual factor for significantly intense reflections	0.1113
Weighted residual factors for significantly intense reflections	0.2894
Weighted residual factors for all reflections included in the refinement	0.3548
Goodness-of-fit parameter for all reflections included in the refinement	0.982
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1514754.cif
110248	2014-04-18	cif/ Adding structures of 1514754, 1514755, 1514756, 1514757 via cif-deposit CGI script.	1514754.cif