Crystallography Open Database

Information card for entry 1508061

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Coordinates	1508061.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 Cl Mn2 N4 O8
Calculated formula	C20 H6 Cl2 Mn2 N4 O8
Title of publication	Photoreactivity examined through incorporation in metal-organic frameworks.
Authors of publication	Blake, Alexander J.; Champness, Neil R.; Easun, Timothy L.; Allan, David R.; Nowell, Harriott; George, Michael W.; Jia, Junhua; Sun, Xue-Zhong
Journal of publication	Nature chemistry
Year of publication	2010
Journal volume	2
Journal issue	8
Pages of publication	688 - 694
a	9.062 ± 0.0018 Å
b	25.6 ± 0.005 Å
c	9.618 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	2231.3 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.227
Residual factor for significantly intense reflections	0.209
Weighted residual factors for significantly intense reflections	0.485
Weighted residual factors for all reflections included in the refinement	0.505
Goodness-of-fit parameter for all reflections included in the refinement	1.96
Diffraction radiation wavelength	0.72 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.	1508061.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508061.cif
62607	2012-07-09	cif/ Adding structures of 1508061 via cif-deposit CGI script.	1508061.cif