Crystallography Open Database

Information card for entry 7042486

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Coordinates	7042486.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H98 Cl8 Mo4 N12 O13 S3
Calculated formula	C96 H98 Cl8 Mo4 N12 O13 S3
Title of publication	A study of asymmetrical mixed-valent Mo2-Mo2 complexes in the class III regime.
Authors of publication	Mallick, Suman; Cheng, Tao; Chen, Lu; Meng, Miao; Zhang, Yu Yu; Liu, Chun Y.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	17
Pages of publication	5711 - 5723
a	12.4214 ± 0.0005 Å
b	14.4786 ± 0.0007 Å
c	15.4651 ± 0.0007 Å
α	72.182 ± 0.004°
β	83.891 ± 0.004°
γ	71.23 ± 0.004°
Cell volume	2507 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0937
Residual factor for significantly intense reflections	0.0819
Weighted residual factors for significantly intense reflections	0.2131
Weighted residual factors for all reflections included in the refinement	0.2324
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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