Crystallography Open Database

Information card for entry 7023935

Preview

Coordinates	7023935.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H33 Cu3 Mo4 N18 O12
Calculated formula	C45 H33 Cu3 Mo4 N18 O12
Title of publication	A highly photocatalytic polyoxomolybdate compound constructed from novel-type triple helix {Mo4O12}n chains and copper(i)-organic nets.
Authors of publication	Zhang, Xiutang; Fan, Liming; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Zhao, Xian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	47
Pages of publication	16562 - 16568
a	15.1265 ± 0.0004 Å
b	15.1265 ± 0.0004 Å
c	12.5331 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	2483.5 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0674
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.1048
Weighted residual factors for all reflections included in the refinement	0.1364
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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