Crystallography Open Database

Information card for entry 4344748

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Coordinates	4344748.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H36 Fe6 O36
Calculated formula	C48 H30 Fe6 O36
Title of publication	Enhancement of CO2 Adsorption and Catalytic Properties by Fe-Doping of [Ga2(OH)2(L)] (H4L = Biphenyl-3,3',5,5'-tetracarboxylic Acid), MFM-300(Ga2).
Authors of publication	Krap, Cristina P.; Newby, Ruth; Dhakshinamoorthy, Amarajothi; García, Hermenegildo; Cebula, Izabela; Easun, Timothy L.; Savage, Mathew; Eyley, Jennifer E.; Gao, Shan; Blake, Alexander J.; Lewis, William; Beton, Peter H.; Warren, Mark R.; Allan, David R.; Frogley, Mark D.; Tang, Chiu C.; Cinque, Gianfelice; Yang, Sihai; Schröder, Martin
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	3
Pages of publication	1076 - 1088
a	10.5869 ± 0.0002 Å
b	19.5108 ± 0.0004 Å
c	11.8159 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2440.68 ± 0.08 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
Residual factor for all reflections	0.1001
Residual factor for significantly intense reflections	0.0964
Weighted residual factors for significantly intense reflections	0.2384
Weighted residual factors for all reflections included in the refinement	0.2456
Goodness-of-fit parameter for all reflections included in the refinement	1.121
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
175610 (current)	2016-02-04	cif/ Adding structures of 4344742, 4344743, 4344744, 4344745, 4344746, 4344747, 4344748 via cif-deposit CGI script.	4344748.cif