Crystallography Open Database

Information card for entry 1508059

Preview

Coordinates	1508059.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 Cl Mn N4 O9 Re
Calculated formula	C21 H20 Cl Mn N4 O9 Re
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	9.489 ± 0.002 Å
b	26.246 ± 0.006 Å
c	9.898 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2465.1 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.114
Residual factor for significantly intense reflections	0.0832
Weighted residual factors for significantly intense reflections	0.183
Weighted residual factors for all reflections included in the refinement	0.194
Goodness-of-fit parameter for all reflections included in the refinement	1.17
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	1508059.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508059.cif
62605	2012-07-09	cif/ Adding structures of 1508059 via cif-deposit CGI script.	1508059.cif