Crystallography Open Database

Information card for entry 7207786

7207785 << 7207786 >> 7207787

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Coordinates	7207786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H40 Cu6 Mo2 N12 O2 S8
Calculated formula	C52 H40 Cu6 Mo2 N12 O2 S8
Title of publication	External template-assisted self-assembly: design and synthesis of the [MoOS3Cu3]+ based supramolecular polymeric clusters
Authors of publication	Wang, Hong-Mei; Han, Yi; Niu, Yun-Yin; Zhang, Zhen-Hua; Hou, Hong-Wei; Zhu, Yu
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	9
Pages of publication	3125
a	40.592 ± 0.008 Å
b	9.7008 ± 0.0019 Å
c	24.75 ± 0.005 Å
α	90°
β	104.95 ± 0.03°
γ	90°
Cell volume	9416 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0946
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.1363
Weighted residual factors for all reflections included in the refinement	0.1505
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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