Crystallography Open Database

Information card for entry 4329694

Preview

Coordinates	4329694.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H103 Cu12 Mo36 N36 O149 P3
Calculated formula	C72 Cu12 Mo37.5 N36 O151.51 P3.5
Title of publication	Two Triazole-Based Metal-Organic Frameworks Constructed from Nanosized Cu20 and Cu30 Wheels
Authors of publication	Chan-Zi Ruan; Ru Wen; Min-Xia Liang; Xiang-Jian Kong; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	7587 - 7591
a	20.758 ± 0.012 Å
b	20.758 ± 0.012 Å
c	158.36 ± 0.13 Å
α	90°
β	90°
γ	120°
Cell volume	59095 ± 7 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	7
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.1718
Residual factor for significantly intense reflections	0.1423
Weighted residual factors for significantly intense reflections	0.2777
Weighted residual factors for all reflections included in the refinement	0.2938
Goodness-of-fit parameter for all reflections included in the refinement	1.261
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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