Crystallography Open Database

Information card for entry 7031922

7031921 << 7031922 >> 7031923

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Coordinates	7031922.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C122 H144 Mo4 N14 O20
Calculated formula	C122 H128 Mo4 N14 O20
Title of publication	Tuning the electronic coupling in Mo2-Mo2 systems by variation of the coordinating atoms of the bridging ligands.
Authors of publication	Shu, Yao; Lei, Hao; Tan, Ying Ning; Meng, Miao; Zhang, Xiao Chun; Liu, Chun Y.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	39
Pages of publication	14756 - 14765
a	19.8102 ± 0.0003 Å
b	18.2488 ± 0.0002 Å
c	17.1298 ± 0.0003 Å
α	90°
β	107.273 ± 0.002°
γ	90°
Cell volume	5913.35 ± 0.16 Å³
Cell temperature	149 ± 2 K
Ambient diffraction temperature	149 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0622
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1234
Weighted residual factors for all reflections included in the refinement	0.1363
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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