Crystallography Open Database

Information card for entry 7208168

7208167 << 7208168 >> 7208169

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Coordinates	7208168.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H25 F18 Mn2 O12
Calculated formula	C51 H25 F18 Mn2 O12
Title of publication	Tuning the magnetic properties of transition metal MOFs by metal‒oxygen condensation control: the relation between synthesis temperature, SBU nuclearity and carboxylate geometry
Authors of publication	Bernini, Maria C.; Platero-Prats, Ana E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Labrador, Ana; Sáez-Puche, Regino; Romero de Paz, Julio; Monge, M. Angeles
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	17
Pages of publication	5493
a	31.9337 ± 0.0015 Å
b	7.3362 ± 0.0003 Å
c	22.4953 ± 0.0011 Å
α	90°
β	95.275 ± 0.002°
γ	90°
Cell volume	5247.7 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0526
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.1108
Weighted residual factors for all reflections included in the refinement	0.1169
Goodness-of-fit parameter for all reflections included in the refinement	1.145
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180412 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/81.	7208168.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208168.cif
64209	2012-08-11	cif/ Adding structures of 7208164, 7208165, 7208166, 7208167, 7208168 via cif-deposit CGI script.	7208168.cif