Crystallography Open Database

Information card for entry 4102369

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Coordinates	4102369.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H99 Mo6 N5 O19
Calculated formula	C54 H99 Mo6 N5 O19
Title of publication	Polyoxometalatocyclophanes: Controlled Assembly of Polyoxometalate-Based Chiral Metallamacrocycles from Achiral Building Blocks
Authors of publication	Fengping Xiao; Jian Hao; Jin Zhang; Chunlin Lv; Panchao Yin; Longsheng Wang; Yongge Wei
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	5956 - 5957
a	12.426 ± 0.003 Å
b	12.58 ± 0.003 Å
c	23.06 ± 0.005 Å
α	81.09 ± 0.03°
β	77.37 ± 0.03°
γ	79.7 ± 0.03°
Cell volume	3435.5 ± 1.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0774
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1283
Weighted residual factors for all reflections included in the refinement	0.1548
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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