Crystallography Open Database

Information card for entry 4305102

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Coordinates	4305102.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C126 H144 Cu12 Mo4 N20 S20
Calculated formula	C126 H144 Cu12 Mo4 N20 S20
Title of publication	Assembly of [(η5-C5Me5)MoS3Cu3]-Supported One-Dimensional Chains with Single, Double, Triple, and Quadruple Strands
Authors of publication	Wen-Hua Zhang; Ying-Lin Song; Zhen-Hong Wei; Ling-Ling Li; Yu-Jian Huang; Yong Zhang; Jian-Ping Lang
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	5332 - 5346
a	12.059 ± 0.002 Å
b	16.276 ± 0.003 Å
c	19.308 ± 0.004 Å
α	105.64 ± 0.03°
β	94 ± 0.03°
γ	94.8 ± 0.03°
Cell volume	3619.6 ± 1.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1434
Residual factor for significantly intense reflections	0.1027
Weighted residual factors for significantly intense reflections	0.2449
Weighted residual factors for all reflections included in the refinement	0.2714
Goodness-of-fit parameter for all reflections included in the refinement	1.237
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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