Crystallography Open Database

Information card for entry 7057866

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Coordinates	7057866.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H54 Cr2 Mo2 N4 Na6 O46
Calculated formula	C24 H52 Cr2 Mo2 N4 Na6 O46
Title of publication	Iron molybdenum nitrilotriacetate and iminodiacetate ‒ spectroscopy, structural characterization and CO2 adsorption
Authors of publication	Wang, Si-Yuan; Dong, Xin; Chen, Jun-Fei; Zhou, Zhao-Hui
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	23
Pages of publication	18526
a	15.5265 ± 0.0007 Å
b	11.033 ± 0.0006 Å
c	16.5498 ± 0.001 Å
α	90°
β	107.693 ± 0.006°
γ	90°
Cell volume	2700.9 ± 0.3 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0715
Residual factor for significantly intense reflections	0.0629
Weighted residual factors for significantly intense reflections	0.1669
Weighted residual factors for all reflections included in the refinement	0.1725
Goodness-of-fit parameter for all reflections included in the refinement	1.145
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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