Crystallography Open Database

Information card for entry 4331368

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Coordinates	4331368.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H88 Au6 Fe3 N36 O8
Calculated formula	C68 H72 Au6 Fe3 N36 O8
Title of publication	Fast Detection of Water and Organic Molecules by a Change of Color in an Iron(II) Microporous Spin-Crossover Coordination Polymer
Authors of publication	Francisco J. Muñoz-Lara; Ana B. Gaspar; M. Carmen Muñoz; Andrey B. Lysenko; Konstantin V. Domasevitch; José Antonio Real
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	13078 - 13080
a	31.4836 ± 0.0004 Å
b	21.5215 ± 0.0003 Å
c	14.8344 ± 0.0002 Å
α	90°
β	112.129 ± 0.002°
γ	90°
Cell volume	9311 ± 0.3 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0473
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0939
Weighted residual factors for all reflections included in the refinement	0.101
Goodness-of-fit parameter for all reflections included in the refinement	0.931
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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