Crystallography Open Database

Information card for entry 1567360

Preview

Coordinates	1567360.cif
Original IUCr paper	HTML

Structure parameters

Formula	C6 Mo O6
Calculated formula	C6 Mo O6
Title of publication	Refinement of anomalous dispersion correction parameters in single-crystal structure determinations
Authors of publication	Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael
Journal of publication	IUCrJ
Year of publication	2022
Journal volume	9
Journal issue	5
a	11.78656 ± 0.00017 Å
b	11.2619 ± 0.00012 Å
c	6.3733 ± 0.00007 Å
α	90°
β	90°
γ	90°
Cell volume	845.986 ± 0.018 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.037
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.1141
Weighted residual factors for all reflections included in the refinement	0.1149
Goodness-of-fit parameter for all reflections included in the refinement	0.955
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.61988 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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