Crystallography Open Database

Information card for entry 7046283

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Structure parameters

Formula	C19 H24 Mo3 N10 O9 S
Calculated formula	C19 H24 Mo3 N10 O9 S
Title of publication	Comparison of hydroxycarboxylato imidazole molybdenum(iv) complexes and nitrogenase protein structures: indirect evidence for the protonation of homocitrato FeMo-cofactors.
Authors of publication	Wang, Si-Yuan; Jin, Wan-Ting; Chen, Hong-Bin; Zhou, Zhao-Hui
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	22
Pages of publication	7412 - 7421
a	8.629 ± 0.0003 Å
b	12.1305 ± 0.0004 Å
c	17.0785 ± 0.0006 Å
α	109.173 ± 0.003°
β	104.625 ± 0.003°
γ	90.077 ± 0.003°
Cell volume	1626.85 ± 0.11 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0508
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0855
Weighted residual factors for all reflections included in the refinement	0.0913
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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