Crystallography Open Database

Information card for entry 7057865

Preview

Coordinates	7057865.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H40 Fe8 Mo2 N8 O40
Calculated formula	C32 H40 Fe8 Mo2 N8 O40
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	9.7754 ± 0.0002 Å
b	9.7754 ± 0.0002 Å
c	13.7948 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1318.21 ± 0.05 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	121
Hermann-Mauguin space group symbol	I -4 2 m
Hall space group symbol	I -4 2
Residual factor for all reflections	0.0607
Residual factor for significantly intense reflections	0.06
Weighted residual factors for significantly intense reflections	0.1379
Weighted residual factors for all reflections included in the refinement	0.1384
Goodness-of-fit parameter for all reflections included in the refinement	1.335
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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