Crystallography Open Database

Information card for entry 7112940

Preview

Coordinates	7112940.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H57.5 Ca0.2 Co4 N8 O19
Calculated formula	C76 H52 Ca0.2 Co4 N8 O19
Title of publication	An unusual ten-connected self-penetrating metal-organic framework based on tetranuclear cobalt clusters.
Authors of publication	Yang, Jin; Li, Bo; Ma, Jian-Fang; Liu, Ying-Ying; Zhang, Jing-Ping
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	44
Pages of publication	8383 - 8385
a	15.414 ± 0.005 Å
b	15.591 ± 0.005 Å
c	16.26 ± 0.005 Å
α	90°
β	117.953 ± 0.005°
γ	90°
Cell volume	3451.7 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0863
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1498
Weighted residual factors for all reflections included in the refinement	0.1641
Goodness-of-fit parameter for all reflections included in the refinement	0.971
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7112940.cif
112173	2014-04-30	cif/ Adding structures of 7112940 via cif-deposit CGI script.	7112940.cif