Crystallography Open Database

Information card for entry 7046286

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Structure parameters

Formula	C36 H50 Mo6 N20 O16
Calculated formula	C36 H50 Mo6 N20 O16
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	10.6194 ± 0.0005 Å
b	11.9177 ± 0.0005 Å
c	14.7094 ± 0.001 Å
α	90.197 ± 0.004°
β	106.313 ± 0.005°
γ	110.829 ± 0.004°
Cell volume	1658.78 ± 0.17 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0689
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1138
Weighted residual factors for all reflections included in the refinement	0.1199
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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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