Crystallography Open Database

Information card for entry 4329971

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Coordinates	4329971.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H68 Cl4 Cu2 N16 O12
Calculated formula	C56 H68 Cl4 Cu2 N16 O12
Title of publication	Halide and Hydroxide Linearly Bridged Bimetallic Copper(II) Complexes: Trends in Strong Antiferromagnetic Superexchange Interactions
Authors of publication	Daniel L. Reger; Andrea E. Pascui; Mark D. Smith; Julia Jezierska; Andrew Ozarowski
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	7966 - 7968
a	11.5965 ± 0.0005 Å
b	12.6931 ± 0.0005 Å
c	13.4508 ± 0.0005 Å
α	116.296 ± 0.001°
β	101.606 ± 0.001°
γ	105.039 ± 0.001°
Cell volume	1595.86 ± 0.11 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 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	0.066
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1528
Weighted residual factors for all reflections included in the refinement	0.1635
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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