Crystallography Open Database

Information card for entry 4332814

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Coordinates	4332814.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H76 Cu1.5 N14 O4 W
Calculated formula	C42 H66 Cu1.5 N14 O4 W
Title of publication	Synthesis, Crystal Structures, and Magnetic Properties of Cyano-Bridged Honeycomblike Layers MV−CuII(M = Mo, W) Chelated by a Macrocyclic Ligand
Authors of publication	Lim, Jeong Hak; Kang, Jun Sung; Kim, Hyoung Chan; Koh, Eui Kwan; Hong, Chang Seop
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	19
Pages of publication	7821 - 7827
a	10.3034 ± 0.0002 Å
b	16.2949 ± 0.0003 Å
c	16.4554 ± 0.0003 Å
α	74.449 ± 0.001°
β	86.021 ± 0.001°
γ	78.316 ± 0.001°
Cell volume	2606.12 ± 0.09 Å³
Cell temperature	130 K
Ambient diffraction temperature	130 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	0.0498
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.1056
Weighted residual factors for all reflections included in the refinement	0.1099
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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